KR100573786B1 - Analysis of structure stabilities of diseases-causing proteins and their mutants - Google Patents

Abstract

The present invention relates to a structural stability analysis method of the genetic disease protein and mutant protein, the present invention for achieving the above object, a plurality of training protein group representing a natural structure extracted from the protein database; A training decoy protein group formed by forming a decoy structure through threading the training protein group; An energy function parameter including all kinds of amino acids and calculated using an energy function quantitatively indicating the degree of energy in consideration of various environmental factors affecting the structure determination of the protein; A natural type protein that does not belong to the training protein group; Mutated protein / mutant protein groups; Using the training protein group, a new decoy structural protein group formed for the natural protein and the mutant protein / mutant protein group; the approximate distribution function is obtained from the energy function parameter and the non-thermal equation is used through the distribution function. The specific key point is to compare specific heat values and transition temperature of natural type protein and mutant protein / mutant protein group by measuring specific heat value according to temperature change. Therefore, there is a useful advantage that it is possible to simply determine whether the unknown mutant protein causes the disease without going through the clinic.

Ramachandran genetic disease protein environment parameter energy function

Description

Analysis of structure stabilities of diseases-causing proteins and their mutants

1 is a diagram showing the specific heat according to the temperature of the natural type and mutant type of ribonuclease (RNase) protein knowing the structure.

Figure 2 is a diagram showing the specific heat according to the temperature of the natural type and mutant type of ribonuclease (RNase) protein when the structure is unknown and only the amino acid sequence.

Figure 3 shows the specific heat according to the temperature of the natural and variant types of TMZip peptide when the structure is unknown and only the amino acid sequence is known.

Figure 4 is a diagram showing the natural temperature of beta globin and the transition temperature and peak specific heat value of the mutant proteins of the hemoglobin variant when the structure is unknown and only the amino acid sequence is known.

The present invention relates to a protein structural stability analysis method, and more particularly, it is possible to prevent and diagnose genetic diseases and mutant proteins by statistically thermodynamically analyzing the structural stability of proteins in which only one amino acid change is made in the amino acid sequence. The present invention relates to a method for analyzing the structural stability of genetic diseases and mutant proteins.

The amino acid sequence of a protein contains information that determines its tertiary structure, and its unique tertiary structure determines its function. For example, sickle cell anemia is a disease caused by mutation of glutamine (Glu) of the beta-globin chain into valine. This mutation results in the binding of valine 6 (Val6) to the hydrophobic cavity in the beta-globin subnit, thereby forming a hemoglobin pair. This causes polymerization of hemoglobin molecules and leads to immaturity and degradation of red blood cells, leading to anemia. As shown in the above example, it can be seen that even one amino acid variation among the numerous amino acids constituting the protein can cause disease.

In general, mutations in genes lead to protein misfolding, and because misfolded proteins are usually degraded by proteasomes, there are diseases caused by loss of their function. For example, a misfolded protein is a disease caused by aggregation outside the cell rather than being degraded by proteasome. Cystic fibrosis and α1-antitrypsin deficiency are well known diseases in the former, and Alzheimer's disease is a well known disease in the latter.

Most of the mutations, such as deletion, insertion and nonsense mutations, often have a devastating effect on protein expression or stability of the protein structure, but missense mutations Because only one amino acid is changed, it may or may not affect protein structure or function, which often makes it difficult to diagnose the disease.

If mutated amino acids play an important role in the structure or function of the protein and are amino acids associated with the disease, they are called disease associated single acid polymorphisms (abbreviated as 'daSAPs'). Hereinafter will be referred to simply as disease SAP. In contrast, even if one amino acid mutation does not affect the function of the protein at all, it may be irrelevant to the disease. This will be referred to as silent SAP. If a new missense mutation is found in a disease gene in a patient, it is very important to determine whether it is a disease or silent SAP.

The field of medical informatics is emerging in the post-genome era, and the identification of disease SAP has become a very important field. To date, many protein databases have been built up and a great deal of information on protein structure has been used as a very important tool for disease SAP identification.Many scientists are still trying to interpret the correlation between this protein structure and disease. There are various attempts to make.

Existing researches for identifying the disease SAP have collected the mutant proteins that have already been structured as much as possible, analyzing the structure of the proteins in detail to obtain quantitative knowledge, and then determining where the other mutated amino acids belong to whether the mutation is related to the disease. It is a process of predicting whether or not.

However, the conventional method takes a lot of time and effort as well as a problem of low reliability.

In addition, above all, when the structure of the protein is not known, there is a problem that it is not possible to determine whether the mutated protein is a disease SAP or a silent SAP.

Accordingly, an object of the present invention is to provide a structural stability analysis method capable of diagnosing missense variations even when the structure of a protein is not known accurately.

In addition, another object of the present invention is to provide a structural stability analysis method, which enables simple and rapid diagnosis of missense variations through statistical thermodynamic stability techniques.

수학식으로 나타나는 근사 분배함수( approximate partition function)와

수학식으로 나타나는 비열(specific heat)을 이용하여 온도변화에 따른 비열을 측정하여 최고비열값에 대응하는 전이온도를 파악하고, 자연타입단백질과 변이단백질/변이단백질군의 최고비열값과 전이온도를 비교함에 의해 질병을 일으키는지의 유무가 판단되는 유전질병 단백질 및 돌연변이 단백질의 구조 안정성 분석방법을 제공하는 것을 기술적 요지로 하고 있다.The present invention for achieving the above object, a plurality of training protein group representing a natural structure extracted from the protein data known amino acid sequence structure and the tertiary structure by X-ray determination method; In the training protein group, A protein of length N _A and _B protein of length N _B (N _A ≤N _B ), the sequence of protein _A starting from the first amino acid of protein B without a gap and ending N _A times To produce one decoy structure of protein A, and to match the sequence of protein _A to the structure starting with the second amino acid of protein B and ending with N _A + 1th, the other decoy structure of protein A And repeat the method of generating another decoy structure of protein A by matching the sequence of protein _A to the structure starting from the third amino acid of protein B and ending with N _A + 2nd. A training decoy structural protein group formed by forming a decoy structure of the protein for each of the naturally occurring proteins involved; Includes all kinds of amino acids, ① local environment consisting of three classes of amino acids and three classes according to degree of hydrophobicity, ② local environment consisting of pairwise contact of two amino acids, ③ three kinds of amino acids Local environment including three classifications according to secondary structure and degree of hydrophobicity and pairwise contact of two amino acids, ④ three secondary structures of amino acids and three classifications according to hydrophobicity, and ramachandran angle Local environment, including ⑤ three secondary structures of amino acids and three classes according to the degree of hydrophobicity, and one local environment among the group consisting of five local environments, including a local environment that includes both rachidand angle and mating contact. Using the score function H (s, Γ), which quantitatively represents the energy level when the sequence s is in the structure Γ, the score of the decoy structure (H (s, Γ) ^D ))-an energy function parameter calculated using the condition that the natural structure score (H (s, Γ))>0; Natural type proteins that do not belong to the training protein group; A variant protein / mutant protein group in which only one amino acid is mutated in the natural type protein sequence; The new decoy (decoy) formed with the natural protein type and the mutant protein / mutant protein group for the training protein group having the same or longer length than their own length, respectively, using the training protein group. Structural protein group; for the natural type protein and the mutant protein / mutant protein group, using the energy function parameters obtained above

Approximate partition function

By using specific heat represented by the equation, the specific heat according to the temperature change is measured to determine the transition temperature corresponding to the highest specific heat value, and the maximum specific heat value and transition temperature of the natural type protein and the mutant protein / mutant protein group are determined. It is a technical point of view to provide the structural stability analysis method of the genetic disease protein and mutant protein which judge the presence or absence of a disease by comparison.

Therefore, there is a useful advantage that it is possible to simply determine whether the unknown mutant protein causes the disease without going through the clinic.
In the present invention, the terms natural structure, decoy structure and competition structure are frequently used. Such terms are generally defined in the art or will be defined again in the present invention. First of all, natural structure refers to the structure when a protein has its own biological function and activity, and decoy structure is a fake structure of a given protein. It is a structure made by cutting the natural structure of another protein by the length of a given protein. How to make is described in detail later. And, competition structure refers to a structure similar to natural structure among fake (decoy) structures of a given protein. Natural structures, decoy structures and competition structures used in the present invention are all used in the meanings defined above, which is obvious to those skilled in the art.

Hereinafter, the present invention will be described in detail.

First, a feature of the present invention is to analyze the structural stability of the missense protein. To this end, we need to look at the thermodynamic behavior of the missense proteins. Mutations generally reduce the folding effeciency by energetically changing protein folding kinetics. However, a missense protein with only one amino acid change in its sequence structure may or may not significantly alter protein folding kinetics. Perhaps missense proteins are expected to cause very small changes. Therefore, rather than calculating energy change in terms of overall protein folding kinetics, it is possible to distinguish the difference between disease SAP and silent SAP by calculating small energy changes that occur during protein folding-unfolding. It is considered to be. Starting from this point of view, the present invention introduces an approximate partition function theory used in statistical physics to quantitatively analyze and predict small energy changes caused by missense proteins. In the present invention, the thermodynamic stability could be calculated using the distribution function, and based on this, the disease-causing mutations could be distinguished from those without. Hereinafter, the present invention as described above will be described in detail.

1.Energy Function Parameter Extraction from Natural Structure Protein by Perceptron Running

In the present invention, a process of quantitatively calculating the small energy change of the missense protein is essential. Therefore, to calculate these energy changes, energy function parameters must be extracted from proteins.

The proteins used must include the structure of all the proteins present in the natural structure in order to accurately extract the energy function parameters. Therefore, in the present invention, for accurate energy function parameter extraction, a large number of protein databases have been constructed in which the amino acid sequence is known and the structure by X-ray crystallography is known to represent all the natural structures of the protein. The protein database showing the natural structure is as follows.

In the present invention, as a representative protein database whose natural structure is known (hereinafter, referred to as a training protein), a protein is selected from the following conditions.

The basic selection of the training protein group was taken from PDB selecr and WhatIf. PDB select (http://www.cmbi.kun.nl/gv/pdbsel) and WhatIf (http://www.cmbi.kun.nl 3,032 representative proteins representing all other classes of the Structural Classification of Protein (SCOP) classification with less than 30% homology in / swift / whatif) were selected. Where PDB select and WhatIF consist of proteins selected from all known structures using the "all-against-all Smith / Waterman alignment" method between protein chains.

In the present invention, the proteins satisfying the following conditions among the protein group obtained from the PDB select and WhatIF were selected as training proteins.

(1) X-ray crystallography

(2) the structure does not contain non-standard amino acids

(3) structure without broken chains

(4) protein without mutated structure

The number of proteins contained in the training protein group selected by the above conditions was 1006, which is shown in Table 1 below.

Non-overlapping proteins of the 1,006 training protein group have 53 to 994 amino acids in length.

<Table 1>

1,006 natural rescue training proteins

16PK, 1A1I, 1A1X, 1A34, 1A3K, 1A44, 1A65, 1A6M, 1A8E, 1A8H, 1A8L, 1A8P, 1AC5, 1AF7, 1AGI, 1AH7, 1AIL, 1AK0, 1AKO, 1AL3, 1AMF, 1AMK, 1AMK, 1AMK, 1AMK 1AMY, 1AQB, 1ARU, 1ATG, 1AUQ, 1AXN, 1AZ9, 1AZQ, 1B0U, 1B0X, 1B1C, 1B56, 1B8O, 1BB9, 1BD8, 1BDO, 1BEA, 1BFD, 1BG2, 1BEA, 1BGV, 1BHEK1, 1BHEK1 1BKR, 1BM8, 1BN7, 1BN8, 1BQC, 1BQK, 1BR9, 1BTN, 1BU2, 1BUO, 1BWZ, 1BX4, 1BXA, 1BXO, 1BYB, 1BYI, 1BYQ, 1BYR, 1C0P, 1C1K, 1C52, 1C2C, 3C2A44 1C75, 1C8Z, 1CB8, 1CBY, 1CC8, 1CCZ, 1CEX, 1CFB, 1CGT, 1CHD, 1CIP, 1CJW, 1CKA, 1CLC, 1CNV, 1COJ, 1CPQ, 1CSH, 1CSN, 1CTJ, 1CTQ, 1CUO, 1CVC 1CYW, 1CZT, 1D2N, 1D4O, 1D7O, 1D7U, 1DBG, 1DFX, 1DHN, 1DK8, 1DLY, 1DOI, 1DOZ, 1DPE, 1DS1, 1DXJ, 1DXY, 1E1A, 1E20, 1E43, 1E58, 1E58, 1E58, 1E55 1EB6, 1ECD, 1ECR, 1ED1, 1EDG, 1EEM, 1EG3, 1EI5, 1EJ0, 1EJ8, 1EJJ, 1EKG, 1EL4, 1ELR, 1EOK, 1EP0, 1EQF, 1EU8, 1EUG, 1EUL, 1EUR, 1EW0, 1EW2, 1E4 1EYH, 1EZJ, 1EZW, 1F20, 1F3L, 1FC9, 1FCY, 1FHG, 1FI2, 1FKJ, 1FL2, 1FS7, 1FSZ, 1FX2, 1FXL, 1FXS, 1G1T , 1G2R, 1G5A, 1G5T, 1G66, 1G6S, 1G7F, 1G8F, 1G9O, 1GA0, 1GA6, 1GAL, 1GC6, 1GCA, 1GCB, 1GND, 1GNU, 1GNY, 1GOF, 1GP0, 1GP6, 1GSA, 1GPR, 1GPR , 1GUI, 1GVP, 1GXQ, 1GXU, 1GYU, 1GZC, 1H61, 1H6H, 1H6L, 1H6T, 1H75, 1HB6, 1HCZ, 1HD2, 1HDO, 1HF8, 1HH5, 1HH8, 1HKA, 1HNB, 1HHV, 1HHV, 1HHV , 1I2T, 1I6P, 1I76, 1I8A, 1I9G, 1ID0, 1IDO, 1IFC, 1IHG, 1IM5, 1IQQ, 1IQZ, 1IS3, 1ITX, 1IUA, 1IXH, 1J8Q, 1J8U, 1JA9, 1JAK, 1JB3, 1JB3ERD , 1JG1, 1JHD, 1JJF, 1JJY, 1JK7, 1JLN, 1JM1, 1JO8, 1JU3, 1JUK, 1JV4, 1JYH, 1K12, 1K1B, 1K4I, 1K5C, 1K6A, 1K6W, 1KDK, 1KNK, 1KNG, 1KNG, , 1KOK, 1KP6, 1KPF, 1KQ3, 1KQR, 1KR7, 1KTE, 1KUG, 1KWG, 1KWH, 1KY2, 1L2R, 1L6P, 1LAM, 1LBU, 1LC5, 1LCL, 1LIT, 1LJ5, 1LKI, 1LO7, 1LPL, 1LPL , 1LY2, 1M7B, 1M8Z, 1MAI, 1MGT, 1MLA, 1MML, 1MNZ, 1MOQ, 1MRJ, 1MSK, 1MUG, 1MUY, 1MWP, 1NAR, 1NFP, 1NIF, 1NKR, 1NLS, 1NOX, 1NPK, 1NPS, 1NSJOH 1O , 1PA2, 1PBE, 1PBV, 1PDO, 1PGP, 1PII, 1PJC, 1PLC, 1PMI, 1POA, 1POC, 1POT, 1PRN, 1PSZ, 1PTF, 1PUC, 1 QAU, 1QAZ, 1QB0, 1QB7, 1QCX, 1QF5, 1QGI, 1QGX, 1QHQ, 1QHV, 1QI7, 1QJ4, 1QJ8, 1QJD, 1QK8, 1QKJ, 1QNF, 1QNR, 1QNRR, 1QQ, 1QSA, 1QQ9, 1QSA, 1QTW, 1QUU, 1R69, 1RA9, 1RCB, 1RCY, 1RFS, 1RIE, 1RIS, 1RL6, 1RMD, 1RMG, 1ROP, 1SBP, 1SFP, 1SKF, 1SML, 1SNC, 1SRA, 1SRV, 1SUR, 1SVB, 1T1DFE, 1T1DFE 1TIF, 1TIG, 1TL2, 1TML, 1TMY, 1TUL, 1U9A, 1UBI, 1UKZ, 1UOK, 1URO, 1UTE, 1VCC, 1VHH, 1VID, 1VIE, 1VLS, 1VNS, 1VSR, 1WAB, 1WBA, 1WDN, 1WHI, 1WHO 1XWL, 1YGE, 1ZIN, 1A17, 1A26, 1A32, 1A76, 1AD6, 1AEP, 1AEW, 1AI3, 1AIR, 1AJ2, 1ALY, 1AN8, 1AOL, 1ASH, 1ASS, 1AUA, 1B71, 1B74, 1B9H, 1B9Z, 1BAJ 1BF2, 1BIX, 1BLE, 1BPI, 1BPY, 1BQS, 1BV1, 1BVB, 1BVO, 1BYL, 1C0A, 1C4X, 1C76, 1C7Q, 1CEM, 1CFR, 1CIY, 1CJC, 1CJS, 1CL8, 1CQC, 1CXC, 1CXC 1CZ1, 1CZJ, 1D0V, 1D2K, 1D7Y, 1D9Y, 1DAB, 1DCQ, 1DD5, 1DDV, 1DEO, 1DG9, 1DHR, 1DIV, 1DLI, 1DLL, 1DMR, 1DMT, 1DMU, 1DQ3, 1DQO, 1DWD, 1DWD 1DZ3, 1DZF, 1E6U, 1E7F, 1E87, 1EAF, 1ECY, 1EDQ, 1EDT, 1EI9, 1EJE, 1EQ6, 1ESC, 1EVH, 1EW3, 1F7S, 1FAO , 1FAS, 1FCE, 1FL0, 1FLP, 1FNF, 1FP5, 1FRB, 1FY7, 1FZQ, 1GAK, 1GEJ, 1GEN, 1GLN, 1GPC, 1GYM, 1HFX, 1INP, 1IOV, 1JET, 1JMC, 1JSE, 1KLO, 1KUH, 1KUH, 1KUH , 1MJC, 1MZM, 1NG1, 1NP4, 1OBR, 1OPC, 1OSA, 1OTH, 1OXA, 1PEA, 1PFO, 1PHF, 1PHK, 1PKP, 1PLQ, 1PUD, 1QAM, 1QF9, 1QGO, 1QHO, 1QKK, 1QQ, 0QQ, , 1QU2, 1QVA, 1RKD, 1SEK, 1SFE, 1SQC, 1TGO, 1UAE, 1UXY, 1XSM, 1YTW, 1ZXQ, 1A6F, 1B0M, 1B87, 1BFG, 1BZ4, 1DVO, 1DZO, 1EB4, 1LVJ, 1LVM , 1MKP, 1MOF, 1QQ4, 1RGS, 119L, 1AD2, 1AQT, 1BIF, 1C3D, 1CDY, 1FMB, 1JDC, 1KXU, 1MDL, 1QLM, 1QOY, 1QQH, 1SKZ, 1UBY, 1VIN, 1WWC, 1A73, 1A73 , 1ALV, 1AOJ, 1AQ0, 1AUO, 1AYF, 1B2P, 1B3A, 1B5E, 1B66, 1B8A, 1BEB, 1BKP, 1BKZ, 1BM9, 1BXY, 1BYF, 1CNZ, 1COL, 1COZ, 1D0Q, 1D3D, 1D3VD , 1DXE, 1DYS, 1E15, 1E42, 1E9G, 1ECS, 1EJF, 1ERZ, 1EW6, 1EZG, 1F05, 1F0K, 1F39, 1F5V, 1F74, 1F9M, 1FB3, 1FLM, 1FN9, 1FVK, 1GLQQ8G , 1GTV, 1GXY, 1GYG, 1H8P, 1H97, 1H9M, 1HM9, 1HW1, 1IAZ, 1IOO, 1ISU, 1ITU, 1IU8, 1J9L, 1JFL, 1JFR, 1J H6, 1JI1, 1JQE, 1JR2, 1JR8, 1JTK, 1K20, 1K94, 1KEP, 1KPT, 1KQP, 1KZQ, 1LQP, 1M55, 1M8A, 1MHD, 1MKA, 1MOL, 1MR8, 1NBC, 1NSC, 1PSL0H 1QR0H5 1QOR, 1QQ5, 1SEI, 1TOA, 1VCA, 1YAC, 1AOE, 1B00, 1B3T, 1B78, 1BK5, 1BRW, 1BYK, 1C2T, 1CLE, 1D1G, 1DDG, 1DQE, 1EE2, 1EEJ, 1EI7, 1EN7, 1ETJ, 1ETJ 1FWY, 1G1K, 1G71, 1GDH, 1GNW, 1HST, 1HUL, 1IMB, 1PFK, 1QFE, 1QFH, 1QJV, 1QR4, 1QSD, 1QVB, 1TKI, 1VSG, 1XVA, 1YPR, 19HC, 1A0A, 1A28, 1A288 1AO3, 1AOC, 1AOH, 1ASY, 1ATL, 1AYO, 1B16, 1B4K, 1B67, 1B6B, 1B6T, 1BBH, 1BE9, 1BF6, 1BFT, 1BHT, 1BSM, 1BTM, 1C02, 1CF7, 1CI9, 1CP2, 1CF, DCQD 1D4T, 1D9C, 1DJ0, 1DKZ, 1DL5, 1DP4, 1DQZ, 1DSZ, 1DU5, 1DXM, 1DYN, 1E19, 1ECM, 1EG9, 1EK6, 1EMV, 1ESG, 1EUJ, 1EUV, 1EXC, 1EXT, 1F46, 1F3A 1F60, 1FP3, 1FQT, 1G1B, 1G38, 1G9Z, 1GK9, 1GQI, 1GVE, 1GXM, 1H6F, 1H7E, 1HM5, 1I0D, 1I4F, 1I4U, 1I6W, 1ICR, 1IHR, 1IRD, 1JATJ, JJJ 1JKM, 1JU2, 1K9J, 1KSA, 1KTG, 1KU0, 1KV8, 1L6X, 1L9F, 1LB6, 1LBE, 1LBW, 1LH0, 1LXT, 1M4I, 1MPG, 1PBW, 1QG7, 1QKS, 1QLW, 1QNA, 1QQJ, 1QTN, 1QU7, 1SFT, 1TF4, 1TX4, 1XIK, 1A0F, 1A6J, 1AVP, 1B34, 1B3U, 1B94, 1BHG, 1BJA, 1BMQ, 1BB, 1B4, 1B4 1CHK, 1CHR, 1CKM, 1CL2, 1CQ3, 1D2F, 1D2O, 1DAP, 1DEL, 1DM9, 1EBF, 1EC6, 1ECE, 1EFV, 1EGA, 1EM9, 1EXB, 1F0Y, 1F37, 1F4T, 1F5M, 1F5W, 1F5F 1FPU, 1FUR, 1G51, 1G6N, 1HDM, 1HEI, 1HKB, 1IVY, 1JOT, 1NOY, 1NSE, 1ORD, 1OTC, 1OUN, 1PDK, 1PYS, 1QB2, 1QC7, 1QCI, 1QEX, 1QG3, 1QMH, 1QPB, 1QPBS 1SMT, 1TKA, 1VFR, 1VHR, 1VMO, 1YAG, 1A2P, 1C5E, 1EL6, 1HTW, 1JLJ, 1LUA, 1OBW, 1TGX, 1AHS, 1B77, 1BS4, 1EZ3, 1A12, 1B5Q, 1B93, 1CZYD, 1DBF 1DPT, 1EUA, 1F83, 1FC3, 1FTF, 1G3K, 1GMY, 1HX6, 1K4M, 1NZY, 1OTG, 1TAD, 1YAI, 1AVQ, 1BPO, 1D8D, 1DBT, 1E2A, 1E6T, 1FTM, 1NMT, 1P35, 1RPXD 1DOK, 1DVR, 1ELU, 1IIB, 1LXD, 1SVP, 1AN4, 1BDY, 1ELK, 1I0R, 1B9X, 1CN4, 1CUN, 12AS, 1CM5, 1KNY, 1QJW, 1QQ2, 1AOX, 1DPG, 1LAT, 1POX, 1AVYE 1SRR, 1URN, 1C1Y, 1AIS, 1AWC, 1DS6, 1HLO, 1KAC, 1BH9, 1B7Y, 1ITB, 1QRV, 1HSB, 1CG8, 1E7K, 1JQL, 1H NN, 1I1R, 1JCQ, 1CK4, 1GL4, 1IG3, 1GD0

 Important information indicating the structural characteristics of a protein is already described in the amino acid sequence of the protein, and it is well known that this amino acid sequence determines the protein's natural structure. The main problem in folding to understand protein structure is to understand protein structure prediction, amino acid sequence design, and the procedure of the protein folding process. In order to solve the protein folding problem, an appropriate protein score (energy) function that includes the thermodynamic and kinetic properties of the protein is essential. Hereinafter, a combination of a score function or an energy function is used and the meaning is the same.

Typically, the amino acid sequence contains information necessary for protein structure and protein folding, and the natural structure of the protein is known to correspond to the structure having the lowest free energy compared to other competitive structures.

Therefore, in order to extract an energy parameter using a protein exhibiting such a natural structure, an energy function must be defined, and the energy function is defined as follows.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in which the amino acid of form i lies in the m local environment, and ε (i, m) is the energy parameter associated with this amino acid.

It is possible to obtain the energy function using a statistical method generally used by the above equation, but this statistical method has a problem that the recognition rate of natural structure is not high because it does not sufficiently indicate the environment in which each protein is located. . Therefore, the present invention uses a method of analyzing the structure of proteins by thermodynamic energy function by neural network learning theory and threading test, rather than a statistical approach. The calculation by the thermodynamic energy function by the neural network learning theory and threading test will be described later.

Next, as shown in the above formula, the amino acid is fixed to 20 kinds, while the value of m, the local environment in which each amino acid is placed, varies depending on how the local environment is defined, and accordingly, The energy function parameters change. In other words, the accuracy of the structural stability analysis of the protein by the energy function varies depending on how well the local environment in which amino acids are placed is described.

The energy function defined by the local environment will be described. Since the energy function parameters vary depending on how the local environment is represented, the present invention is represented as five energy functions as follows. And note that each name is fixed.

1) Monolithic Energy Function

The local environment represents the environment in which amino acids are placed in protein folding, and all interactions within a protein are effectively described by the interactions between amino acids. From this point of view, Bowie et al. Transformed the three-dimensional structure of a protein into one-dimensional information, indicating an environmental score that indicates how much the protein sequence prefers this structure when the protein sequence lies in a specific three-dimensional structure. ) Was calculated. Introduced to calculate this environmental score is the amino acid environmental variables.

An environment finalization variable represents two cases:

First, when the amino acid sequence of a protein is determined, it can be represented by three types of secondary structures (α-helix, β-strand and loop structure) due to the interaction between each amino acid. Appears in three ways.

Second, it is classified according to affinity with water. In fact, since most proteins have a form dissolved in a solvent in vivo, the degree of hydrophobicity is different depending on the structure of each amino acid, and this is considered. Generally, three types of hydrophobic environmental parameters are represented. The three divisions are as follows. The rate at which amino acids are exposed to the solvent is calculated using the Richard's algorithm as the ratio of the solvent contact area of amino acid X to the unfolded state of the amino acid in the form of Gly-X-Gly. Depending on the degree of hydrophobicity (or solvation), the values of the percentages exposed to the solvent are divided by less than 10%, 10-50%, and more than 50%, respectively, buried (Buried, denoted B below). , In the middle (MEDIUM, hereinafter referred to as M), and if exposed (EXPOSED, hereinafter referred to as E).

As described above, the three secondary structure variables and the hydrophobic environment variables are combined, and the state of each protein can be represented by a total of nine environmental variables. The m value representing the local environment is 9 in the above equation. .

 In this case, the above-described energy function can be expressed as follows.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in which the amino acid of form i lies in the m local environment, and ε (i, m) is the energy function parameter associated with this amino acid.

2) Mating contact energy function

It is related to two amino acids linked in a pairwise contact as a local environment.

It is necessary to classify the local environment of amino acids to define the mating contact energy function. The classification method for one amino acid is entirely the same as the monolithic energy function (one body).

However, in this case, it should be applied to two amino acids, and there are 180 parameters of energy parameters for one amino acid. In case of two, there is a 180 × 180 score parameter, but the symmetry of two amino acids is present. In consideration, the overall score parameter is entirely the same as the monolithic energy function (one body) except that {(180) × (180 + 1)} / 2 = 16,290 is formed.

Therefore, the energy function considering the local environment of two amino acids can be expressed as follows.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. N (i, j; k, l) is the number of amino acids in the local environment where k, l amino acids in the form of i, j connected in a pairwise contact form, ε (i, j k, l) is the energy function parameter associated with these amino acids.

3) Monolithic and mating contact energy functions

Here we consider both amino acids linked in a manner that forms a single environment variable and a pairwise contact of the protein as a local environment.

The local environment of amino acids for defining the energy function is the same as the classification method of 1) and 2) above, and as environmental variables to be considered, 180 single parameters and 16,290 mating contacts should be considered simultaneously.

Therefore, the energy function for a protein considering both monolith and mating contact at 20 amino acids can be expressed as follows.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in which the amino acid of type i lies in the m local environment, ε (i, m) is the energy function parameter associated with this amino acid, and n (i, j; k, l ) Is the number of amino acids in the local environment where k, l of amino acids of the form i, j linked in pairwise contact form, and ε (i, j; k, l) is associated with these amino acids. It is an energy function parameter.

4) Ramachandran monolithic energy function

On the other hand, we consider other factors that can explain the environment in which each amino acid is placed as an environment-binding variable representing the local environment. The environmental factors considered can introduce the Ramachandran angle for one amino acid into a new environment, the local environment.

First, the Ramachandran angle will be described briefly.

Each amino acid is linked by a peptide bond, CO-NH bond is a peptide planar structure that forms a single plane, the rotation is not made by the peptide bond. Therefore, in the bonding structure, since the central carbon Cα-C 'binding site and the Cα-N binding site are connected in a single bond, the bond can be rotated about the axis. Therefore, φ angle of Cα-N and ψ angle of Cα-C 'are defined as angles of lamachandang as backside angles between the peptide planes and the side chains of amino acids in the main chain of the polypeptide, which is the binding of amino acids. The Ramachandran angles φ and ψ are plotted on the x and y axes, respectively. Not all angles are allowed. That is, the angle allowed is limited because of the steric hindrance of the main and side chains. The angles of φ and ψ given in the protein structure can be easily calculated, and a picture of the lamachandran angles φ and ψ on the x and y axes, respectively, is called a ramachandran plot.

In this Ramachandran plot, the Ra-Machandran angle (φ _i , ψ _i ) of the i-th amino acid in the protein corresponds to a point, the secondary structure in which the amino acids lie in the protein or the type of the side chain of the amino acid. Therefore, it is limited to a limited area. For example, in the case of proline, the side chain is shaped like a ring so that the backside is confined to a very small area on the Ramachandran plot. On the other hand, glycine (glycine) has only one hydrogen atom in the side chain, so it can be distributed somewhat uniformly in almost all regions without being limited by the side chain. In addition, since this dihedral angle is limited to a certain region on the Ramachandran plot depending on the secondary structure in which the amino acid is located in the protein, the local environment, an important new environmental parameter that describes the characteristics of amino acids in the protein, is well defined. Can be.

Thus, the Ramachandran plot can be used as a new measure to explain the environment of each amino acid by dividing it into the φ and ψ axes. For example, the number of environmental coherence variables may vary depending on the number of equal parts, but in the present invention, for convenience of description, the angles are divided by 40 ° by 9 equal parts on the x and y axes, respectively, for a total of 81 Ramachandral environments. We created a local environment that was a variable. Therefore, when the angle is considered as a new local environment, the above m-value has 81 × 9 = 729 local environments.

Therefore, the energy function for a protein with Ramachand angle can be expressed as follows.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in the m local environment where i-type amino acids are in 9 environments and the Φ-Ψ matrix, and ε (i, m) is the energy function parameter associated with this amino acid.

5) Ramachandran monolithic and mating contact energy functions

In this case, both the case of 4) described above and the case of mating contact 2) considering the case of two amino acids are considered as the local environment.

In this case, therefore, the energy function for a protein can be expressed as

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in the m local environment where i-type amino acid is in 9 environments and Φ-Ψ matrix, ε (i, m) is the energy function parameter associated with this amino acid, n (i, j; k, l) is the number of amino acids in the local environment where k, l amino acids of the i, j form connected in a pairwise contact form, ε (i, j; k is the energy function parameter associated with these amino acids.

As described above, it can be seen that the energy function is expressed by considering each local environment depending on how the local environment in which amino acids are placed in the energy function is considered. As far as possible, it is clear that the energy function, taking into account all local environments, can better recognize the structure of the protein.

Therefore, the method of obtaining the energy function parameters using the energy function of the last case considering the most local environment among the five cases will be described as a representative. In the other four cases, only the energy function is applied differently.

First, in a state in which the training protein group is given by using a threading test, the present invention generates decoy structures for each protein belonging to the training protein group through a gapless threading method using the training protein group. Training decoy structural protein groups were formed, and the number of training decoy structural protein groups was about 78.2 million (exactly 78,155,894).

Referring to the process of forming the decoy structure as an example.

In the training protein group, A protein of length N _A and _B protein of length N _B (N _A ≤N _B ), the sequence of protein _A starting from the first amino acid of protein B without a gap and ending N _A times To produce one decoy structure of protein A, and to match the sequence of protein _A to the structure starting from the second amino acid of protein B and ending N _A + 1th, the other decoy structure of protein A. To generate another decoy structure of protein A by mapping the sequence of protein _A to the structure starting from the third amino acid of protein B and ending with N _A + 2th, and repeating the same method as described above. _A decoy structure of N _B -N _A +1 can be formed for the protein.

In the same manner, the decoy structure is formed by repeating the above process for other proteins, and the decoy structure obtained for the protein belonging to the training protein group by repeating the above process is about 7,820 as described above. One hundred thousand (or exactly 78,155,894) could be produced.

In the present invention, we constructed a protein energy function that stabilizes all 1,006 natural structures with less than 30% homology by neural network learning and protein threading, and introduces a new environment by introducing a local environment, which is a new environmental parameter. Define a function and extract energy parameters from it.

The energy function according to the present invention can be represented by the following equation as described above.

Where H is a score function that quantitatively measures how stable the sequence s is in the structure Γ. And n (i, m) is the number of amino acids in the m local environment where i-type amino acid is in 9 environments and Φ-Ψ matrix, ε (i, m) is the energy function parameter associated with this amino acid, n (i, j; k, l) is the number of amino acids in the local environment where i, j-type amino acids linked in a pairwise contact are k, l, and ε (i, j; k, l) is the energy function parameter associated with these amino acids.

Given the structure of a protein, n (i, m) and n (i, j; k, l) are usually determined from the PDB file. Then, in the present invention, 14,580 of ε (i, m) and ε (i, j; k, l) represented by 20 × 729 and 180 × 180 matrices that ensure the recognition of the most stable natural structure for a set of decoy structures. Extracting +16,290 energy function parameters.

In this example, the 7.8 million training decoy structure protein groups obtained using the 1,006 training protein group and the 1,006 training protein group, as described above, each decoy structure is a natural of all 1,006 training proteins. In order to stabilize the structure, the following equation must be satisfied.

Where n (i, m) ^D and n (i, m) are decoy structures (D = 1,2, ..... 78.2 million), respectively, and the i-type amino acids in the natural structure of the It is the number of cases in which m is a local environment of m type, which is a Φ-Ψ matrix, and n (i, j; k, l) ^D and n (i, j; k, l) are decoy structures (D = 1,2), respectively. , ..... 78.2 million) and the amino acid of type i, j, which is connected in pairwise contact with the protein's natural structure, is placed in the local environment of type k, l, As described above, it is determined from the PDB file.

Thus, using Equation 2 above, ε (i, m) and ε (i, j have 1,006 training proteins with known natural structures that always have lower energy than when their sequences were placed in a decoy structure. 14,580 + 16,290 energy function parameters of; k, l) should be determined and optimized.

Equation 2 may be expressed by Equation 3 below.

,

은 1,006개의 훈련 단백질군에서 알려져 고정되는 값이며

은 미지의 벡터로서 결정해야 할 값이다. here

,

Is a known and fixed value for 1,006 training protein groups

Is the value to determine as an unknown vector.

에서 시작하여 78.2백만 개의 모든 부등식에 대하여

와

의 스칼라곱(scalar product)을 계산하였으며 계산하는 과정은 아래의 수학식과 같다. Initial value in the present invention

For all 78.2 million inequalities, starting from

Wow

The scalar product of was calculated and the calculation process is as follows.

^{_{n 1 1 ε 1 + n 2}} 1 ε 2 + ........ + n 14,580 1 ε 14,580 + ............. + n 30,870 1 ε 30,870> 0

^{_{n 1 2 ε 1 + n 2}} 2 ε 2 + ........ + n 14,580 2 ε 14,580 + ............. + n 30,870 2 ε 30,870> 0

........................................ ........

^{_{n 1 100 ε 1 + n 2}} 100 ε 2 + ........ + n 14,580 100 ε 14,580 + ........ + n 30,870 100 ε 30,870> 0

........................................ ............>0

Calculate approximately 78,2 million inequalities above to find ε ₁ , ε ₂ , ........ ε _30,870 .

이 음수일 때 벡터

는 위의 부등식을 만족하지 못하므로 이 디코이 구조를 실패한 디코이 구조(failed decoys) 라고 한다.Where the score gap

Is negative

This decoy structure is called a failed decoys because it does not satisfy the above inequality.

를 선택하여 최악의 디코이구조 ｗ의 점수 간격이 증가하도록

와 같이 갱신하였다. In the present invention, the worst vector giving the lowest score interval among failed decoy structures.

Select to increase the score interval for the worst decoy ｗ.

Updated as follows:

에 대하여 다시 계산한 다음 실패한 디코이 구조 집합과 최악의 디코이 구조를 찾은 다음 다시

을 갱신하여

를 구한다. 78.2 million scalar products

Recalculate for, then find the set of failed decoy structures and the worst decoy structure

To renew

Obtain

를 찾는 것이다. This process is repeated until the number of failed decoy structures out of 78.2 million decoy structures is zero. The main reason for this update is to ensure that the score in the natural structure is stabilized relative to the scores in the decoy structures in order to fully recognize the natural structure state.

To find.

이 모든 78.2 백만 개의 부등식을 만족한다면 벡터

은 30,870 차원 맺음변수 공간 상의 어떤 점들의 영역에 수렴할 것이며 최악의 디코이 구조 점수 간격

은 유한한 수만큼의 반복 후에 유한한 양수 값을 가지게 될 것이다. If there is a solution to equation (2), i.e.

If all this satisfies 78.2 million inequalities, then vector

Will converge to the area of certain points in the 30,870-dimensional concluding variable space and the worst decoy structure score interval

Will have a finite positive value after a finite number of iterations.

의 수렴 값을 주지 않는다든지 혹은 유한한 양수 값의 점수 간격을 주지 않는다면, 해가 없다든지 혹은 점수함수의 맺음변수화가 적절하게 되지 못했다는 의미에서 신경망 학습에 적합하지 않는 것이다. If the repetition continues forever

If you do not give a convergence value or do not give a finite positive score interval, then it is not suitable for neural network learning in the sense that there is no solution or that the covariance of the score function is not appropriate.

However, it is also impractical to solve all 78.2 million inequalities at the same time, so we use another method to find the optimal ε (i, m) and ε (i, j; k, l) that satisfy Equation (2).

In the present invention, the following constraints are added to obtain the optimal ε (i, m) and ε (i, j; k, l).

First, the score of the natural structure of a given protein must be lower than the average score of a random sequence with a certain amino acid composition on its own natural structure.

Second, the score of the natural structure of a given protein will impose a condition that it must always be lower than the average score of its own sequence on the decoy structure.

1,006 and 1,005 inequalities are generated that satisfy the above two conditions.

The inequality is represented in the form as shown in Equation 5 below.

c ₁ ¹ ε ₁ + .................................... + c _30,870 ¹ ε _30,870 〉 0

........................................ .......

c ₁ ¹⁰⁰⁶ ε ₁ + ....................... + c _30,870 ¹⁰⁰⁶ ε _30,870 〉 0

d ₁ ¹ ε ₁ + ......................................... + d _30,870 ¹ ε _30,870 〉 0

........................................ ......

d ₁ ¹⁰⁰⁵ ε ₁ + ....................... + d _30,870 ¹⁰⁰⁵ ε _30,870 〉 0

Here, the information on the c and d values can be obtained from a PDB file and _solves the 2011 inequality by neural network learning, representing a value of ε ₁ , ....... ε _{30,870 which} is a _solution of the 180-dimensional _coherence variable. The values of the energy function parameters ε (i, m) and ε (i, j; k, l) can be obtained.

Using the energy function parameters ε (i, m) and ε (i, j; k, l) obtained above, the scores of all 78.2 million decoy structures are again compared to the scores in the natural structure state, i.e. all decoy A threading test is performed to determine whether Equation 2 is satisfied for the structure. By using the ε (i, m) and ε (i, j; k, l) obtained in the present invention, the threading test for 78.2 million decoy structure and lower than the scores in the natural structure state The number of failed decoy structures in the state was calculated to be 208 out of 78.2 million.

The inequality obtained from the failed decoy structure is generated using the energy function parameter vector updated in the above manner, and 208 new inequalities are added to the previous 2,011 inequalities, and then the neural network learning is performed again using all 2,219 inequalities. And solve for the new ε (i, m) and ε (i, j; k, l).

The above process attempts to maximize the stability of natural structural states for competing decoy structures by maximizing the score interval between the natural and failed decoy structures of 1,006 training proteins.

Now, in the second threading test using the newly obtained ε (i, m) and ε (i, j; k, l), a new set of failed decoy structures was created and added to the previous inequality.

In the present invention, as described above, it was repeated until the number of failed decoy structures to be added to (i) the neural network learning to update the score covariate and (ii) protein threading to add a new inequality becomes zero. The number of generated inequalities is 2,219 until this process is continued to satisfy Equation 2 for all decoy structures.

Although the solutions ε (i, m) and ε (i, j; k, l) satisfy all 78.2 million inequalities by solving 2,219 inequalities, the solution is neither unique nor optimized.

By optimizing ε (i, m) and ε (i, j; k, l), the scores of decoy structures competing to maximize the stabilization of the natural structure of 1,006 training proteins are obtained. Push it up as far as possible from the scores.

To this end, in the present invention, the decoy structures compete for decoy structures with a score interval between all 78.2 million decoy structures and the natural structure score of each protein being less than 2219 decoy structures and the minimum score interval between the natural structures of each protein. Left.

Inequalities for these competitive decoy structures were added to the previous 2,219 inequalities to obtain optimized solutions ε (i, m) and ε (i, j; k, l).

In addition, the neural network learning and protein threading process was repeatedly performed until the number of additional competitive decoy structures became 0. As a result, 4,104 inequalities can recognize 100% of the natural structure state of 1,006 training proteins. The parameters of the 30,870 Ramachandran angle monoliths and mating contact energy functions were optimized.

Table 2 shows the energy function parameters, which are the 30,870 score-binding variables obtained and optimized above. Table 2 is attached at the end of the composition of the invention in quantity.

Where H is α-helix, S is β-strand, L is loop structure, B is buried, M is middle, E is exposed, psi1, phi1 is Ramachandran plot In the range from -180 ° to -140 °.

2. Measurement of small energy change of missense variations using approximate distribution function

As described above, the present invention is to distinguish the presence or absence of disease factors by analyzing the small energy temperature change of the missense proteins. Therefore, it is necessary to know the change according to the temperature of a given missense protein. It will be described below.

Assume that a specific target protein is given. The amino acid sequence of such a target protein is naturally known, and its structure may be known or unknown. If the structure is known by previous studies and if it is not, there are some differences between the methods.

First, if the structure is known, in this case, since the structure and amino acid sequence are known, the position and structural information of each amino acid constituting the protein is shown, so that the energy function parameters can be easily obtained.

If the structure is unknown, in this case, since only the amino acid sequence is known, it should be obtained using the above-described energy function parameter extraction method. That is, if the target protein is threaded with respect to the existing 1006 training proteins, hundreds of thousands of decoy structures can be obtained. For example, assuming that 100 decoy structures are produced as a result of threading the target protein, the energy function is defined as

Since the decoy structure is 100 here, if you sum up each decoy structure,

^{H (s, Γ 1) =} n 1 1 ε 1 + n 2 1 ε 2 + .... + n 14,580 1 ε 14,580 + ... + n 30,870 1 ε 30,870

H (s, Γ ²⁾ = n ₁ ² n ₂ ² ε ₁ + ε ₂ + .... + n ε _{14,580 14,580} ² + ... + n ε _30,870 ² _30,870

        ..............................................

H (s, Γ ¹⁰⁰⁾ = n ₁ + n ₂ ^{100 100} ε ₁ ε ₂ + .... + n ε ¹⁰⁰ _{14,580 14,580} + ... + n ε ¹⁰⁰ _{30,870 30,870}

In the above formula, since n and ε are both known values, the energy function can be calculated.

On the other hand, the approximate distribution function is defined as

여기서 k는 볼쯔만 상수이고, T는 임의의 온도

Where k is the Boltzmann constant and T is any temperature

Specific heat is defined as

As shown in the above equation, the specific heat of each given protein can be expressed in terms of temperature by using the approximate distribution function and the non-thermal equation, and these values are temperature dependent. Specific heat represents temperature dependence as a calculation of the variation of the average energy from the average energy, assuming that the energy of the decoy structures for the target protein is equilibrium under a certain temperature.

In addition, when the specific heat value is the largest (Cm), the structural state of the protein is changed most severely, and the temperature at that time is called the folding-unfolding transition temperature (Tm) of the target protein. Briefly, a temperature at which the protein is folded at a temperature lower than the transition temperature around the transition temperature (Tm), and a process of unfolding the protein at a temperature higher than the transition temperature. Therefore, if the transition temperature is high, the protein is converted from folding to unfolding at high temperature, so the protein is somewhat stable at high temperature. On the contrary, if the transition temperature is low, the phase transition of the protein occurs at low temperature. Proteins can be called unstable proteins.

In other words, when a natural type protein is given and there are missense proteins mutated in the natural protein, the missense proteins have a lower transition temperature than the natural protein when expected to remain thermodynamically unstable. Will appear. Therefore, by examining the natural protein and the missense protein generated by the specific heat and temperature, it is possible to distinguish whether the missense protein is a disease SAP or a silent SAP.

3. Prediction of thermodynamic stability of missense proteins

Next, by using a variety of known proteins to examine the specific heat and temperature according to the present invention, the thermodynamic stability and disease determination method of the missense proteins are suitable.

In a first example, Escherichia coli ribonuclease RNase HI is a mesophillic protein that is known to be a thermophilic protein when a specific amino acid is changed (lshikawa et al.). , 1993). Experiment with the natural type (1RDD) of ribonuclease HI and 5 variant types (1RBR (H62P), 1LAV (V74L), 1RBT (K95G), 1LAW (V74I), 1RBU (K95N)) I tried. The natural and mutant types are those that appear on protein databases and are known for their amino acid sequences as well as their structures.

The natural type and the mutant types were graphed by calculating specific heat values for temperature using a protein database, and the results are shown in FIG. 1.

As shown, the transition type (Tm) value of all the mutant types was higher than the natural type. As it is known, it shows the characteristics of thermophilic protein as it is, and the result was abnormal.

On the other hand, assuming that only the sequence of amino acids and know the structure using the proteins, the natural type and mutant type is calculated using the above-mentioned threading and energy function parameters, and the specific heat is plotted against the temperature The results are shown in FIG.

As shown in the graph, the transition temperature (Tm) of all the variant types is higher than the natural type, showing thermal stability, showing the known characteristics as it is.

However, when the structure is known, the technology of the protein is very useful, and the result is more accurate than when the structure is unknown. However, even if the structure is unknown, it can be a useful tool because the result can be known by analyzing the temperature change graph for specific heat.

Next, take the second example.

Mutations in the human TPM3 gene, which encodes γ-tropomyosin, are known to cause nemaline myopathy, and the composition of amino acids among the various mutations that cause nemaline myopathy Methionine 8 arginine (Met 8 Arg) (Laing, 1999) is known. Methionine-8 is a highly conserved residue, a missense mutation in its corresponding codon that has been converted to arginine. In the process of clarifying the function of the mutant protein, scientists synthesized a natural type of TMZip (32 amino acid) peptide and a methionine 8 arginine (32 amino acid) mutant peptide (32 amino acids) and investigated them by folding thermodynamic experiments. As a result, it is widely known that methionine 8 arginine (Met8Arg) mutant peptides are more unstable than natural peptides.

In this experiment, it is assumed that only the amino acid sequence is known without knowing its structure, and the specific heat value is calculated according to the temperature through threading, and the transition temperature (Tm) is shown as a graph, and the result is shown in FIG. 3. As shown in the graph, the result is that the mutation type is unstable, indicating that the present invention is also useful.

Next, let's look at another example.

Representative diseases of hemoglobin abnormalities include thalassemia and hemolytic anemia. These diseases are all due to mutations in the globin gene (alpha or beta). And more than 1,000 globin genes mutations have been identified and made into a database. The database can be found at the following site (http://globin.cse.psu.edu) (HbVar database), (http://archive.uwcm.ac.uk/uwcm/hgmd0.html (HGMD)). have. In this experiment, we took a list of beta-globin gene mutations in the human GM mutation database (HGMD) and used clinical presentations in the hemoglobin data (HbVar database) to identify disease-related mutations and normalization. Divided into variations

It is assumed that the structure of these proteins separated as described above is known without knowing the sequence of amino acids, only the amino acid sequence was calculated through the above-mentioned threading method. 4 shows the relationship between the specific heat and the transition temperature Tm with the calculated results of the variations.

As shown, most of the disease-related variants showed lower thermodynamic stability than the natural type, whereas normal variants mostly showed higher or nearly the same thermodynamic stability than the natural type. Therefore, in the above results, the mutations could be divided into two groups centered on the natural type, and when new mutations appeared, it was possible to distinguish whether the disease SAP or the silent SAP belonged to which group.

As discussed above, it can be seen that the transition temperature (Tm) calculated based on statistical physics can be used as a measure of thermodynamic stability. In addition, it can be seen that proteins whose structure is unknown are sufficiently predictable by the amino acid sequence alone. That is to say, in other words, it is possible to easily predict whether or not these mutant proteins cause disease without knowing the structure of newly generated proteins that cause disease in humans.

<Table 2>

30,870 energy parameters including Ramachandran Angle + Two Body

CysHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.006 0.001 0.001 0.000 0.000 0.001 0.010 0.000 0.000

psi2 0.000 0.000 0.003 0.000 0.000 0.002 0.002 0.000 0.000

psi3 0.002 0.011 0.327 0.076 0.000 0.000 0.000 0.000 0.000

psi4 0.007 0.039 -5.518 -1.310 0.000 0.000 0.000 0.001 0.000

psi5 0.004 -0.382 -1.629 0.060 0.000 0.000 0.005 0.008 0.000

psi6 -0.511 -0.046 0.017 0.003 0.000 -0.019 0.002 0.000 0.000

psi7 -0.087 -0.062 -0.069 0.000 0.000 0.000 0.000 0.000 0.000

psi8 -0.561 -0.717 -0.290 -0.288 0.000 0.000 0.000 0.006 0.000

psi9 0.012 0.008 -0.659 0.034 0.000 0.000 0.001 0.001 0.000

 CysHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.008 0.009 0.021 0.000 0.000 0.002 0.015 0.003 0.000

psi2 0.000 0.000 0.001 0.000 0.000 0.016 0.037 0.000 0.000

psi3 0.000 -0.470 0.349 -0.561 0.002 0.000 0.000 0.000 0.000

psi4 0.000 -1.382 -0.165 4.544 0.013 0.000 0.000 0.000 0.001

psi5 0.001 0.816 -1.316 -0.073 0.000 0.000 0.019 0.002 0.000

psi6 0.004 0.054 -0.826 0.000 0.000 0.021 0.004 0.000 0.000

psi7 0.038 0.213 0.356 0.007 0.000 0.003 0.000 0.000 0.000

psi8 -0.045 0.173 0.280 0.114 0.000 0.000 0.000 0.000 0.000

psi9 0.181 -0.379 0.302 0.021 0.000 0.000 0.042 0.012 0.000

 Cyshe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.001 0.006 0.000 0.000 0.001 0.032 0.000 0.000

psi2 0.000 0.005 0.000 0.000 0.002 0.007 0.001 0.000 0.000

psi3 0.003 0.041 0.498 0.330 0.006 0.001 0.000 0.000 0.001

psi4 0.013 -0.286 6.933 2.001 0.003 0.000 0.046 0.000 0.000

psi5 0.001 0.388 0.302 0.067 0.000 0.000 0.289 0.003 0.000

psi6 0.005 0.033 0.013 0.000 0.000 0.106 0.028 0.000 0.000

psi7 0.008 0.003 0.012 0.000 0.000 0.007 0.000 0.000 0.000

psi8 0.001 0.078 0.200 0.016 0.000 0.000 0.000 0.000 0.000

psi9 0.003 0.021 0.175 0.031 0.000 0.000 0.000 0.000 0.000

 CysSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.092 0.050 0.006 0.000 0.000 0.000 0.004 0.010 0.047

psi2 0.000 0.002 0.000 0.001 0.000 0.000 0.000 0.001 0.002

psi3 0.000 0.008 0.001 0.112 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.049 0.073 0.063 0.000 0.000 0.001 0.000 0.000

psi5 0.000 -0.254 -0.090 0.011 0.000 0.000 0.003 0.000 0.000

psi6 0.003 0.004 0.020 0.000 0.000 0.004 0.000 0.000 0.000

psi7 0.011 -0.380 0.394 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.561 -0.396 -1.370 0.037 0.000 0.000 0.000 0.000 0.000

psi9 -0.727 -4.594 -2.047 0.026 0.000 0.000 0.000 0.016 0.015

 CysSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.528 0.110 0.063 0.000 0.000 0.000 0.028 0.214 0.075

psi2 0.003 0.008 0.000 0.000 0.000 0.000 0.002 0.000 0.004

psi3 0.000 0.001 0.006 0.002 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.029 0.069 0.100 0.000 0.000 0.000 0.000 0.000

psi5 0.000 0.017 0.034 0.001 0.000 0.000 0.003 0.031 0.000

psi6 0.001 0.007 0.003 0.000 0.000 0.008 0.075 0.000 0.000

psi7 0.099 0.034 -0.385 0.000 0.000 0.000 0.008 0.000 0.007

psi8 0.305 3.591 -0.905 -0.083 0.000 0.000 0.000 0.001 -0.014

psi9 -1.037 0.790 -0.352 0.015 0.000 0.000 0.009 0.015 0.050

 Cysse

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.005 0.043 0.002 0.000 0.000 0.000 0.001 0.000 0.007

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000

psi3 0.000 0.000 0.001 0.003 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.016 0.087 0.014 0.001 0.000 0.009 0.000 0.000

psi5 0.002 0.042 0.195 0.002 0.000 0.001 0.026 0.001 0.000

psi6 0.001 0.020 0.001 0.001 0.000 0.013 0.008 0.000 0.000

psi7 0.005 0.013 0.018 0.000 0.000 0.000 0.000 0.000 0.002

psi8 0.100 0.695 0.426 0.060 0.000 0.000 0.001 0.000 0.014

psi9 0.410 0.261 0.684 0.159 0.000 0.000 0.001 0.000 0.000

 Cyslb

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.012 0.079 -0.060 0.002 0.000 0.005 0.035 0.007 0.020

psi2 0.003 0.017 0.001 0.000 0.002 0.008 0.011 0.001 0.001

psi3 0.003 0.033 0.031 0.006 0.000 0.008 0.001 0.064 0.000

psi4 -0.083 -1.052 -0.428 -0.058 0.000 0.000 0.016 0.024 0.002

psi5 -0.019 -1.397 -3.438 -0.034 0.000 0.001 0.061 0.472 0.000

psi6 0.259 0.205 0.125 0.002 0.000 -0.664 -0.255 0.001 0.000

psi7 -0.993 -0.544 0.400 0.003 0.008 -0.502 0.003 0.001 0.000

psi8 0.020 -2.744 -5.754 -1.667 0.000 0.010 0.003 0.024 0.003

psi9 -1.120 -2.381 -1.078 0.578 0.000 0.000 0.025 0.048 0.026

 Cyslm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.238 0.315 0.171 0.012 0.000 0.004 0.108 0.112 0.044

psi2 0.001 -0.583 0.104 0.004 0.000 0.096 0.021 0.008 0.004

psi3 0.013 0.157 -0.036 0.053 0.003 0.003 0.006 0.000 0.003

psi4 -0.126 -0.132 0.358 0.172 0.002 0.000 0.042 0.034 0.003

psi5 0.059 -1.892 -1.388 0.199 0.000 0.008 -0.364 0.191 0.002

psi6 0.134 -0.215 0.280 0.000 0.017 0.171 0.477 0.006 0.001

psi7 -0.135 1.339 -0.493 0.030 0.018 0.042 0.037 0.005 0.020

psi8 0.201 -0.547 -4.206 -0.885 0.002 0.008 0.024 0.010 0.043

psi9 -0.282 -0.741 0.641 1.059 0.004 0.009 0.187 0.177 0.048

 Cysle

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.038 0.097 -0.731 0.000 0.000 0.003 0.057 0.006 0.006

psi2 0.006 0.055 0.027 0.002 0.002 0.049 0.101 0.003 0.082

psi3 0.032 -0.110 0.179 0.074 0.012 0.003 0.034 0.019 0.001

psi4 0.043 1.321 3.761 1.518 0.013 0.009 0.118 0.050 0.004

psi5 0.076 0.963 3.659 0.155 0.007 0.023 2.211 0.177 0.002

psi6 0.039 -0.494 0.363 0.007 0.006 1.871 1.032 0.006 0.014

psi7 -0.384 0.604 0.408 0.020 -0.062 -0.539 0.044 0.002 0.003

psi8 0.108 1.018 2.526 1.375 0.006 0.007 0.037 0.001 0.014

psi9 0.302 1.603 3.102 0.591 0.000 0.000 0.048 0.001 -0.035

 PheHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.116 0.003 0.003 0.000 0.000 0.004 0.035 0.000 0.000

psi2 0.003 0.001 0.010 0.000 0.000 0.008 0.003 0.000 0.000

psi3 -0.013 -0.159 -0.729 -0.809 0.001 0.000 0.000 0.000 0.000

psi4 0.011 -0.774 -4.056 -6.661 0.000 0.000 0.000 0.002 0.000

psi5 0.013 -1.763 -3.109 0.108 0.000 0.000 0.010 0.010 0.000

psi6 0.008 -0.268 -0.057 -0.080 0.000 0.035 -0.063 0.000 0.000

psi7 -0.150 -0.195 0.028 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.017 0.226 0.134 0.068 0.000 0.000 0.002 0.011 0.000

psi9 -0.078 -0.027 0.062 -0.119 0.000 0.000 0.005 0.005 0.000

 PheHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.014 0.134 0.037 0.000 0.000 0.003 0.055 0.006 0.000

psi2 0.000 0.002 0.004 0.000 0.000 0.031 0.022 0.000 0.000

psi3 0.001 0.026 0.410 0.434 0.003 0.000 0.001 0.000 0.000

psi4 0.000 -1.483 -0.200 -1.652 0.030 0.000 0.001 0.000 0.045

psi5 0.003 -0.981 0.169 0.797 0.000 0.011 0.103 0.004 0.000

psi6 0.007 -1.060 0.600 0.000 0.000 0.034 0.013 0.000 0.000

psi7 0.334 0.275 0.332 0.006 0.000 0.016 0.002 0.000 0.000

psi8 0.052 0.134 0.438 0.276 0.000 0.000 0.001 0.000 0.000

psi9 0.103 -0.166 0.596 0.043 0.000 0.000 0.061 0.015 0.001

 PheHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.002 0.007 0.000 0.000 0.002 0.003 0.000 0.000

psi2 0.000 0.004 0.000 0.000 0.022 0.046 0.007 0.000 0.000

psi3 0.010 0.009 0.248 0.452 0.004 0.002 0.000 0.000 0.002

psi4 -0.352 0.582 8.013 1.847 0.083 0.000 0.002 0.000 0.000

psi5 0.023 -0.551 1.981 0.182 0.000 0.002 0.040 0.006 0.003

psi6 0.022 -0.532 0.043 0.000 0.000 0.085 0.083 0.002 0.000

psi7 0.022 0.032 0.013 0.000 0.000 0.015 0.000 0.000 0.000

psi8 0.002 0.014 0.088 0.062 0.000 0.003 0.000 0.000 0.000

psi9 0.006 0.090 0.224 0.220 0.000 0.000 0.002 0.000 0.000

 PheSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.229 0.140 0.046 0.000 0.000 0.000 0.030 0.029 0.555

psi2 0.000 0.010 0.000 0.009 0.000 0.001 0.001 0.002 0.003

psi3 0.000 0.009 0.087 0.065 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.157 0.073 -0.106 0.000 0.000 0.007 0.000 0.000

psi5 0.000 -0.232 0.091 0.022 0.000 0.000 0.022 0.001 0.000

psi6 0.022 0.013 0.019 0.000 0.000 0.006 0.001 0.000 0.000

psi7 0.028 -0.400 -0.719 0.000 0.000 0.004 0.000 0.000 0.000

psi8 0.199 0.288 -1.344 0.229 0.000 0.000 0.000 0.000 0.000

psi9 -6.082 -2.476 -0.184 -0.019 0.000 0.000 0.000 0.017 0.256

 PheSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.042 0.572 -0.324 0.000 0.000 0.000 0.193 0.084 0.205

psi2 0.063 0.030 0.000 0.000 0.000 0.000 0.021 0.000 0.010

psi3 0.000 0.011 0.022 0.030 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.045 1.108 0.692 0.000 0.000 0.000 0.007 0.000

psi5 0.000 0.238 0.167 0.009 0.000 0.000 0.034 0.047 0.000

psi6 0.008 0.029 0.022 0.000 0.000 0.018 0.114 0.000 0.000

psi7 0.117 -0.587 0.082 0.000 0.000 0.000 0.087 0.000 -0.235

psi8 2.226 -3.790 -0.476 0.098 0.003 0.000 0.000 0.008 0.086

psi9 -5.268 -1.330 0.731 0.341 0.000 0.000 0.035 0.045 -0.261

 PheSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.057 0.040 0.005 0.000 0.000 0.000 0.002 0.000 0.008

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.008 0.000 0.000

psi3 0.000 0.003 0.008 0.112 0.000 0.000 0.000 0.007 0.000

psi4 0.000 0.031 0.045 0.196 0.008 0.000 0.012 0.000 0.000

psi5 0.022 0.046 0.230 -0.091 0.000 0.002 -0.556 0.014 0.000

psi6 0.002 0.026 0.007 0.007 0.000 0.034 0.064 0.000 0.000

psi7 0.048 -0.137 0.138 0.000 0.000 0.000 0.000 0.000 0.029

psi8 0.258 1.702 0.996 0.196 0.000 0.000 0.008 0.000 0.022

psi9 -0.306 0.777 -0.112 0.171 0.000 0.000 0.008 0.000 0.000

 PheLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.440 -0.071 0.223 0.006 0.000 0.097 0.074 0.071 0.018

psi2 0.009 0.045 0.008 0.001 0.094 0.028 0.017 0.001 0.003

psi3 0.032 0.212 -0.001 -0.095 0.000 0.008 0.003 0.022 0.000

psi4 -0.004 -1.715 -1.387 -0.677 0.000 0.000 0.042 0.038 0.007

psi5 0.038 -0.072 -2.393 0.029 0.000 -0.003 0.021 0.136 0.001

psi6 -0.100 -0.028 -0.078 0.010 0.000 0.365 0.179 0.300 0.000

psi7 0.132 -1.529 0.459 0.020 0.008 -0.123 0.007 0.001 0.000

psi8 -0.053 -1.099 0.510 -1.574 0.000 0.019 0.018 0.015 0.024

psi9 -2.672 -2.377 -1.031 0.050 0.000 0.000 0.154 0.286 0.356

 PheLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.490 0.511 1.078 0.018 0.000 0.016 0.235 0.211 0.102

psi2 0.006 0.053 0.084 0.059 0.001 0.103 0.317 0.018 0.007

psi3 0.037 0.102 -0.079 -0.760 -0.125 0.263 0.040 0.000 0.092

psi4 0.006 0.285 1.014 0.717 0.011 0.000 0.092 0.081 0.018

psi5 -0.110 -1.745 -0.435 0.317 0.000 -0.061 1.425 0.273 0.010

psi6 0.087 -0.487 -0.950 0.000 0.004 0.641 0.739 0.020 0.004

psi7 -0.020 -0.077 -1.640 0.059 0.019 0.465 0.070 0.017 0.027

psi8 -0.211 -2.451 1.478 1.352 0.013 0.008 0.156 0.210 0.066

psi9 0.501 -1.956 2.672 0.462 0.008 0.017 0.307 0.220 0.171

 PheLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.260 0.126 0.216 0.001 0.000 0.049 0.205 0.018 0.156

psi2 0.023 0.062 -0.349 0.011 0.005 0.153 0.149 0.014 0.028

psi3 0.081 0.151 0.295 0.223 0.008 0.013 0.021 0.036 0.002

psi4 0.212 0.410 3.998 2.745 0.008 0.042 0.289 0.092 0.020

psi5 0.136 -0.077 2.973 0.216 0.017 0.197 1.817 0.195 0.007

psi6 0.174 0.082 0.573 0.096 0.006 1.670 0.557 0.020 0.026

psi7 0.152 0.367 0.072 0.097 -0.123 0.175 0.115 0.012 0.004

psi8 0.210 1.346 2.346 0.711 -0.064 0.016 0.058 0.001 0.082

psi9 0.377 -1.522 1.988 0.463 0.000 0.000 0.034 0.004 0.098

 LeuHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.018 0.007 0.007 0.000 0.000 0.008 0.033 0.001 0.001

psi2 0.006 0.002 0.030 0.000 0.001 0.019 0.006 0.001 0.000

psi3 0.010 0.054 -0.727 -2.588 0.026 0.000 0.000 0.000 0.000

psi4 0.092 -1.065 -9.161 -7.576 0.000 0.000 0.000 0.004 0.000

psi5 0.027 0.315 -6.225 0.383 0.000 0.000 0.053 0.046 0.000

psi6 0.006 -0.367 -0.445 0.009 0.000 0.125 0.226 0.000 0.000

psi7 0.278 0.171 0.123 0.000 0.000 0.002 0.000 0.000 0.000

psi8 0.153 0.159 0.125 -0.236 0.000 0.000 0.005 0.016 0.001

psi9 0.163 -0.620 -1.145 0.025 0.000 0.000 0.118 0.011 0.013

 LeuHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.088 0.037 0.201 0.000 0.000 0.011 0.080 0.016 0.000

psi2 0.000 0.003 0.008 0.000 0.000 0.044 0.044 0.000 0.000

psi3 0.002 0.033 0.137 -0.424 0.006 0.000 0.001 0.000 0.000

psi4 0.001 -0.775 -6.535 -3.136 0.080 0.000 0.002 0.001 0.021

psi5 0.005 0.212 -1.865 1.048 0.000 0.002 0.159 0.689 0.001

psi6 0.014 1.556 0.603 0.000 0.000 -0.070 0.037 0.000 0.000

psi7 0.539 1.689 0.387 0.024 0.000 0.029 0.003 0.105 0.000

psi8 0.116 0.186 0.110 0.305 0.000 0.000 0.002 0.121 0.000

psi9 0.348 0.984 1.140 0.323 0.000 0.000 0.140 0.026 0.112

 LeuHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.004 0.014 0.001 0.000 0.005 0.257 0.000 0.000

psi2 0.000 -0.066 0.000 0.000 0.035 0.030 0.017 0.000 0.000

psi3 0.035 0.020 -0.077 1.335 0.396 0.006 0.001 0.000 -0.039

psi4 0.165 -1.555 -0.408 4.876 0.027 0.000 0.004 0.001 0.000

psi5 0.118 0.445 0.612 0.506 0.000 0.038 0.187 0.048 0.006

psi6 -0.750 -1.750 -0.128 0.000 0.000 0.320 0.306 0.004 0.000

psi7 0.029 0.409 0.268 0.000 0.000 0.149 0.000 0.000 0.000

psi8 0.004 0.038 0.063 -0.213 0.000 -0.090 0.000 0.000 0.000

psi9 0.158 0.313 0.698 0.148 0.000 0.000 0.005 0.000 0.000

 LeuSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.390 0.109 -0.262 0.000 0.000 0.000 0.019 0.063 1.008

psi2 0.031 0.022 0.000 0.020 0.000 -0.003 0.002 0.006 0.011

psi3 0.000 0.025 0.029 -0.045 0.000 0.000 0.002 0.000 0.000

psi4 0.000 -0.231 -1.921 -0.756 0.000 0.000 0.023 0.000 0.000

psi5 0.001 0.203 -0.089 0.049 0.000 0.000 0.028 0.102 0.000

psi6 0.029 -0.176 0.020 0.001 0.000 0.008 0.001 0.000 0.000

psi7 0.000 0.225 -1.216 0.000 0.000 0.007 0.000 0.000 0.000

psi8 -1.387 -3.246 -3.116 -0.474 0.000 0.000 0.000 0.000 0.110

psi9 5.448 -1.261 -1.677 0.082 0.000 0.000 0.001 0.075 0.112

 LeuSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.372 0.212 0.159 0.000 0.000 0.000 0.166 0.095 0.305

psi2 0.045 0.082 0.000 0.000 0.000 0.000 0.036 0.000 0.016

psi3 0.000 0.028 0.106 0.090 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.329 -1.630 -0.192 0.000 0.000 0.000 0.022 0.000

psi5 0.000 -0.522 -0.237 0.025 0.000 0.000 -0.003 0.055 0.000

psi6 0.023 0.043 0.028 0.000 0.000 -0.089 0.126 0.000 0.000

psi7 0.219 0.227 -1.055 0.000 0.000 0.001 0.018 0.000 0.080

psi8 -0.664 1.501 -3.278 0.114 0.011 0.000 0.000 0.127 0.145

psi9 4.847 -0.981 -1.364 -0.284 0.000 0.000 0.093 0.142 0.154

 LeuSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.159 0.143 0.004 0.000 0.000 0.000 0.005 0.000 0.024

psi2 0.001 0.000 0.000 0.000 0.000 0.000 0.023 0.000 0.000

psi3 0.000 -0.493 0.023 0.111 0.000 0.000 0.000 0.022 0.000

psi4 0.000 -0.010 0.020 0.655 0.055 0.000 0.025 0.000 0.000

psi5 0.027 0.135 0.347 0.106 0.000 0.005 0.091 0.060 0.000

psi6 0.006 0.070 0.022 0.023 0.000 0.057 0.052 0.000 0.000

psi7 0.097 0.153 0.156 0.000 0.000 0.003 0.000 0.000 0.097

psi8 -0.470 2.445 -0.849 0.310 0.000 0.000 0.023 0.000 0.073

psi9 0.341 1.149 0.249 0.532 0.000 0.000 0.022 0.000 0.001

 LeuLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.232 0.315 0.761 0.049 0.000 0.038 0.111 0.145 0.094

psi2 0.042 0.340 0.107 0.002 0.027 0.228 0.234 0.004 0.005

psi3 0.009 0.155 0.105 0.048 0.000 0.019 0.008 0.119 0.001

psi4 0.021 -0.329 -1.700 -1.460 0.000 0.001 -0.264 0.141 0.054

psi5 0.093 -1.601 -1.016 0.070 0.000 -0.106 0.674 0.291 0.002

psi6 0.091 -1.080 -2.699 0.127 0.000 0.227 0.033 0.006 0.000

psi7 -0.142 -0.259 0.149 0.044 0.018 -0.072 0.014 0.003 0.001

psi8 -0.438 -0.250 -3.906 -1.755 0.000 0.040 0.038 0.034 -0.366

psi9 2.431 0.530 -3.432 -1.117 0.000 0.001 0.299 0.097 0.426

 LeuLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.257 0.601 1.158 0.050 0.000 -0.151 1.187 0.233 0.217

psi2 0.010 0.001 -0.364 0.023 0.048 0.217 0.264 0.013 0.052

psi3 0.063 0.023 -0.731 0.068 -0.396 0.041 0.101 0.000 0.036

psi4 0.098 -0.408 -0.752 -0.248 0.026 0.000 0.048 0.231 0.053

psi5 -0.037 0.458 -5.209 -0.122 0.001 -0.163 2.128 0.831 0.023

psi6 0.200 1.552 0.496 0.001 0.010 1.111 1.267 0.046 0.008

psi7 0.233 -0.438 0.055 -0.646 0.038 -0.043 0.184 0.099 0.059

psi8 -0.930 -2.842 -0.846 -0.393 0.069 0.018 0.340 0.075 0.130

psi9 1.757 -1.844 2.269 1.278 0.019 0.038 0.450 0.188 0.237

 Leule

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.251 0.243 0.378 0.019 0.024 0.037 0.290 0.009 0.054

psi2 0.079 0.096 0.061 0.024 0.008 0.300 0.514 0.031 -0.029

psi3 0.155 -0.328 0.277 0.512 0.021 0.062 0.415 -0.159 0.007

psi4 0.529 -0.525 2.708 0.853 0.027 0.079 0.790 0.364 0.151

psi5 0.388 1.491 2.188 0.392 0.010 -0.064 3.172 0.410 0.046

psi6 0.613 0.640 0.976 0.230 0.026 3.636 2.182 -0.046 0.055

psi7 -0.420 1.443 1.378 -0.212 0.066 0.563 0.256 0.024 0.005

psi8 -0.638 0.184 -0.412 2.422 0.034 0.066 0.083 0.003 0.157

psi9 2.102 0.608 0.579 1.739 0.000 0.000 0.046 0.007 0.063

 TrpHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.012 0.001 0.001 0.000 0.000 0.001 0.067 0.000 0.000

psi2 0.001 0.001 0.004 0.000 0.000 0.004 0.001 0.000 0.000

psi3 0.002 0.008 -2.058 -0.359 0.008 0.000 0.000 0.000 0.000

psi4 0.003 0.351 -3.358 -1.818 0.000 0.000 0.000 0.001 0.000

psi5 0.006 0.133 0.347 0.055 0.000 0.000 0.004 0.003 0.000

psi6 0.001 -0.377 0.026 0.001 0.000 -0.019 0.010 0.000 0.000

psi7 -0.359 0.020 0.015 0.000 0.000 0.000 0.063 0.000 0.000

psi8 0.002 0.029 0.065 0.022 0.000 0.000 0.000 0.012 0.000

psi9 -0.161 -0.070 -1.009 0.006 0.000 0.000 0.055 0.002 0.000

 TrpHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.013 0.007 0.020 0.000 0.000 0.001 0.034 0.003 0.000

psi2 0.000 0.001 0.002 0.000 0.000 0.009 0.011 0.000 0.000

psi3 0.000 0.009 -0.017 -0.131 0.001 0.000 0.001 0.000 0.000

psi4 0.000 -0.227 -0.607 0.216 0.009 0.000 0.000 0.000 0.001

psi5 0.001 -0.229 -2.023 0.075 0.000 0.000 0.027 0.002 0.000

psi6 0.005 -0.091 0.056 0.000 0.000 0.037 0.016 0.000 0.000

psi7 0.020 -0.071 0.043 0.003 0.000 0.008 0.001 0.000 0.000

psi8 0.007 0.089 0.072 0.067 0.000 0.000 0.000 0.000 0.000

psi9 0.059 0.067 0.241 0.016 0.000 0.000 0.038 0.002 0.000

 TrpHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.001 0.004 0.000 0.000 0.001 0.001 0.000 0.000

psi2 0.000 0.002 0.000 0.000 0.031 0.006 0.002 0.000 0.000

psi3 0.013 0.003 0.133 0.159 0.006 0.000 0.000 0.000 0.001

psi4 0.021 0.073 4.029 0.914 -0.419 0.000 0.001 0.000 0.000

psi5 0.011 -0.482 0.746 0.177 0.000 0.000 0.040 0.004 0.001

psi6 0.037 0.054 0.028 0.000 0.000 0.238 0.070 0.001 0.000

psi7 0.001 -0.241 0.005 0.000 0.000 0.006 0.000 0.000 0.000

psi8 0.001 0.002 0.040 0.010 0.000 0.001 0.000 0.000 0.000

psi9 0.003 0.004 0.279 0.022 0.000 0.000 0.054 0.000 0.000

 TrpSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.094 0.042 0.020 0.000 0.000 0.000 0.004 0.062 0.034

psi2 0.000 0.006 0.000 -0.198 0.000 0.000 0.000 0.002 0.002

psi3 0.000 0.004 0.002 0.004 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.001 0.073 0.068 0.000 0.000 0.001 0.000 0.000

psi5 0.000 0.041 0.015 0.056 0.000 0.000 0.056 0.000 0.000

psi6 0.010 0.004 0.028 0.000 0.000 0.247 0.000 0.000 0.000

psi7 0.007 -0.161 0.016 0.000 0.000 0.004 0.000 0.000 0.000

psi8 -0.213 1.587 -0.528 0.040 0.000 0.000 0.000 0.000 0.000

psi9 -2.104 -2.983 -2.701 0.029 0.000 0.000 0.000 0.011 0.019

 TrpSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.060 -0.310 0.065 0.000 0.000 0.000 0.022 0.134 0.088

psi2 0.017 0.005 0.000 0.000 0.000 0.000 0.005 0.000 0.003

psi3 0.000 0.001 0.032 0.005 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.027 0.197 0.028 0.000 0.000 0.000 0.001 0.000

psi5 0.000 0.072 0.191 0.002 0.000 0.000 0.006 0.001 0.000

psi6 0.001 0.013 0.010 0.000 0.000 0.016 0.005 0.000 0.000

psi7 0.045 0.017 0.124 0.000 0.000 0.000 0.004 0.000 0.029

psi8 0.603 -0.692 -3.392 0.410 0.001 0.000 0.000 0.001 0.082

psi9 -2.980 -3.852 -0.106 0.168 0.000 0.000 0.022 0.016 0.051

 TrpSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.048 0.013 0.002 0.000 0.000 0.000 0.001 0.000 0.094

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.000 0.000

psi3 0.000 0.001 0.001 0.048 0.000 0.000 0.000 0.001 0.000

psi4 0.000 0.015 -0.046 0.067 0.001 0.000 0.047 0.000 0.000

psi5 0.010 0.017 -0.122 0.090 0.000 0.001 0.008 0.002 0.000

psi6 0.001 0.016 0.001 0.001 0.000 0.017 0.013 0.000 0.000

psi7 0.015 0.025 -0.033 0.000 0.000 0.000 0.000 0.000 0.010

psi8 -0.305 1.063 0.413 0.048 0.000 0.000 0.001 0.000 0.010

psi9 -0.426 0.858 0.157 0.101 0.000 0.000 0.001 0.000 0.000

 TrpLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.047 0.168 0.123 0.002 0.000 0.008 0.029 0.016 0.009

psi2 0.005 0.015 0.001 0.000 0.034 -0.064 0.013 0.001 0.001

psi3 0.003 0.041 0.075 -0.010 0.000 0.004 0.001 0.010 0.000

psi4 -0.041 0.066 0.117 -0.090 0.000 0.000 0.082 0.019 0.006

psi5 0.020 -0.627 0.032 -0.028 0.000 0.001 0.117 0.040 0.000

psi6 0.278 0.036 0.088 0.006 0.000 -0.157 -0.844 0.001 0.000

psi7 0.202 -0.323 -0.431 0.012 0.004 0.011 0.003 0.001 0.000

psi8 0.340 -0.591 -0.247 -0.530 0.000 0.005 0.003 0.005 0.011

psi9 -1.384 -0.722 0.753 0.343 0.000 0.000 0.052 0.022 0.089

 TrpLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.336 0.258 0.203 0.009 0.000 0.008 0.165 0.107 0.229

psi2 0.007 0.020 0.048 0.005 0.000 0.027 0.032 0.005 0.005

psi3 0.018 0.028 0.044 -0.160 0.011 0.001 0.009 0.000 0.010

psi4 0.014 0.095 0.821 -0.476 0.006 0.000 0.045 0.056 0.003

psi5 0.028 -0.269 0.249 0.109 0.000 0.010 -0.039 0.062 0.006

psi6 -0.385 0.326 0.123 0.000 0.000 1.211 -0.103 0.002 0.001

psi7 -0.009 -0.458 0.529 0.028 0.010 -0.061 0.017 0.011 0.012

psi8 -0.227 0.927 -0.509 0.394 0.012 0.004 0.026 0.039 0.127

psi9 0.566 0.463 0.016 0.199 0.005 0.010 0.146 0.032 0.166

 TrpLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.015 0.124 0.051 0.000 0.008 0.006 0.025 0.003 0.014

psi2 0.017 0.031 0.024 0.006 0.001 0.064 0.065 0.003 0.010

psi3 0.024 0.054 0.418 0.228 0.005 0.007 0.021 0.026 0.001

psi4 0.039 -0.036 1.456 0.882 0.009 0.014 0.131 0.048 0.009

psi5 -0.068 0.446 1.299 0.148 0.005 0.059 1.549 0.101 0.022

psi6 0.097 0.199 0.261 0.046 0.003 0.196 0.723 0.005 0.010

psi7 0.046 -0.303 0.284 0.044 0.013 0.172 0.049 0.010 0.001

psi8 0.182 0.638 1.205 -0.054 0.007 0.003 0.027 0.001 0.031

psi9 0.145 0.666 1.610 0.107 0.000 0.000 0.009 0.001 0.013

 ValHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.008 0.019 0.118 0.000 0.000 0.005 0.019 0.001 0.000

psi2 0.004 0.002 0.026 0.000 0.000 0.021 0.006 0.000 0.000

psi3 0.007 -0.110 -0.110 -0.952 0.017 0.000 0.000 0.000 0.000

psi4 0.126 0.015 -6.824 -0.673 0.000 0.000 0.000 0.003 0.000

psi5 0.023 -0.265 1.641 -0.501 0.000 0.000 0.013 0.014 0.000

psi6 0.010 0.231 0.176 0.010 0.000 0.045 0.378 0.000 0.000

psi7 0.018 -0.011 0.020 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.041 -0.721 -0.012 0.104 0.000 0.000 0.004 0.006 0.000

psi9 0.410 -0.109 0.254 -0.231 0.000 0.000 0.007 0.008 0.000

 ValHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.012 0.021 0.051 0.000 0.000 0.003 0.049 0.010 0.000

psi2 0.000 0.067 0.011 0.000 0.000 0.048 0.012 0.000 0.000

psi3 0.002 0.127 -1.008 0.259 0.004 0.000 0.001 0.000 0.000

psi4 0.000 -0.324 -4.525 2.931 0.052 0.000 0.001 0.000 0.109

psi5 0.003 1.506 1.206 -2.094 0.000 0.211 0.155 0.069 0.050

psi6 0.020 -0.190 0.304 0.000 0.000 0.220 0.020 0.000 0.000

psi7 0.216 -0.104 0.242 0.019 0.000 0.027 0.002 0.000 0.000

psi8 0.525 -0.808 -0.634 0.094 0.000 0.000 0.001 0.001 0.000

psi9 0.156 0.122 1.344 0.124 0.000 0.000 0.072 0.017 0.001

 ValHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.099 0.003 0.008 0.000 0.000 0.004 0.005 0.000 0.000

psi2 0.000 0.012 0.000 0.000 0.111 0.030 0.010 0.000 0.000

psi3 0.018 0.012 1.420 0.675 0.216 0.001 0.001 0.000 0.003

psi4 0.074 0.291 5.958 1.058 0.146 0.000 0.002 0.000 0.000

psi5 0.036 0.742 4.641 0.539 0.000 0.003 0.268 0.010 0.004

psi6 0.027 0.197 0.062 0.000 0.000 0.125 0.262 0.003 0.000

psi7 0.021 0.038 0.017 0.000 0.000 0.022 0.000 0.000 0.000

psi8 0.004 0.057 -0.023 0.039 0.000 0.004 0.000 0.000 0.000

psi9 -0.096 -0.037 0.410 0.138 0.000 0.000 0.004 0.000 0.000

 ValSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.368 0.227 0.115 0.000 0.000 0.000 0.086 0.036 0.480

psi2 0.000 0.017 0.000 0.017 0.000 0.001 0.001 0.004 0.010

psi3 0.000 0.019 0.130 0.039 0.000 0.000 0.001 0.000 0.000

psi4 0.000 -0.676 -0.219 0.254 0.000 0.000 0.013 0.000 0.000

psi5 0.001 -1.380 -0.187 -0.388 0.000 0.000 0.050 0.001 0.000

psi6 0.042 0.022 0.025 0.001 0.000 0.008 0.001 0.000 0.000

psi7 0.078 -0.302 0.081 0.000 0.000 0.007 0.000 0.000 0.000

psi8 -0.877 -10.491 -2.625 0.304 0.000 0.000 0.000 0.000 0.001

psi9 0.492 -6.399 1.481 -0.270 0.000 0.000 0.001 0.255 0.076

 ValSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.535 -1.159 0.407 0.000 0.000 0.000 0.069 0.062 0.574

psi2 0.143 0.031 0.000 0.000 0.000 0.000 0.033 0.000 0.012

psi3 0.000 -0.072 0.038 0.089 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.489 0.137 0.116 0.000 0.000 0.000 0.012 0.000

psi5 0.000 -2.826 -0.126 0.014 0.000 0.000 0.056 0.084 0.000

psi6 0.013 0.053 0.042 0.000 0.000 0.018 0.120 0.000 0.000

psi7 -0.362 -0.670 -0.009 0.000 0.000 0.000 0.018 0.000 0.184

psi8 -1.469 -12.033 -5.357 -0.016 0.004 0.000 0.000 0.055 -0.170

psi9 3.934 -6.111 1.278 0.292 0.000 0.000 0.112 0.249 0.150

 ValSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.199 0.074 0.005 0.000 0.000 0.000 0.003 0.000 0.013

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.013 0.000 0.000

psi3 0.000 0.008 0.055 0.062 0.000 0.000 0.000 0.012 0.000

psi4 0.000 -0.419 0.721 0.347 -0.100 0.000 0.027 0.000 0.000

psi5 0.041 0.175 0.205 0.080 0.000 0.003 0.056 0.025 0.000

psi6 0.004 0.045 0.013 0.013 0.000 0.114 0.056 0.000 0.000

psi7 0.104 0.238 0.084 0.000 0.000 0.100 0.000 0.000 0.065

psi8 -0.963 -3.575 -0.654 0.236 0.000 0.000 0.013 0.000 -0.364

psi9 -0.479 0.176 -0.379 0.353 0.000 0.000 0.013 0.000 0.001

 ValLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.264 0.024 0.362 0.010 0.000 0.093 0.117 0.058 0.029

psi2 0.062 0.080 0.005 0.001 0.065 0.043 0.031 0.002 0.004

psi3 0.006 -0.238 -0.108 0.038 0.000 -0.222 0.004 0.042 0.000

psi4 0.014 -1.054 -1.129 0.777 0.000 0.001 0.054 0.412 0.014

psi5 -0.053 -0.354 1.199 -0.286 0.000 0.003 0.395 0.342 0.025

psi6 0.061 0.520 0.356 0.017 0.000 0.367 0.219 0.004 0.000

psi7 0.251 0.112 -0.736 0.035 -0.221 0.037 0.009 0.002 0.000

psi8 -1.543 -7.596 -4.847 -1.187 0.000 0.038 -0.166 0.221 0.056

psi9 1.025 -1.662 2.412 -0.490 0.000 0.000 0.084 0.180 0.193

 ValLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.872 1.700 0.862 0.036 0.000 0.027 0.297 0.216 0.423

psi2 0.007 0.123 0.150 0.018 0.002 0.108 0.103 0.030 0.044

psi3 -0.042 0.286 -0.027 0.221 0.027 0.024 0.187 0.000 0.048

psi4 0.075 -0.303 -0.314 -0.779 0.020 0.000 0.186 0.163 0.023

psi5 0.178 1.555 3.176 -0.210 0.038 0.034 1.939 0.416 0.020

psi6 0.289 0.652 0.490 0.001 0.006 -0.494 0.988 0.046 0.005

psi7 0.450 0.583 1.579 0.106 0.026 0.303 0.106 0.047 0.048

psi8 -0.780 -3.464 -3.516 0.878 0.022 0.018 0.001 0.041 0.116

psi9 0.054 -1.257 5.826 1.674 0.015 0.035 0.037 0.206 -0.019

 ValLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.185 0.762 0.268 0.001 0.016 0.264 0.343 0.007 -0.154

psi2 0.304 0.442 0.111 0.019 0.006 0.458 0.388 0.029 0.048

psi3 0.115 -0.315 0.132 0.255 0.036 0.023 0.120 -0.330 0.004

psi4 0.038 -0.323 0.878 3.336 0.024 0.059 0.511 0.207 -0.070

psi5 0.212 0.993 4.003 0.291 0.028 0.323 3.508 0.462 0.009

psi6 0.277 0.919 0.895 0.158 0.011 2.801 2.199 0.157 0.051

psi7 0.306 -0.774 1.675 0.242 0.032 0.312 0.198 0.029 0.004

psi8 0.292 -1.860 -3.518 -0.740 0.039 0.020 -0.001 0.003 0.134

psi9 0.186 0.871 3.850 0.779 0.000 0.000 0.080 0.148 0.186

 IleHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.015 0.004 0.004 0.000 0.000 0.005 0.024 0.000 0.000

psi2 0.003 0.002 0.018 0.000 0.000 0.010 0.005 0.000 0.000

psi3 0.004 -0.059 -0.491 0.062 0.048 0.000 0.000 0.000 0.000

psi4 0.012 -0.931 -5.057 -5.625 0.000 0.000 0.000 0.003 0.000

psi5 0.023 -0.805 -0.198 -0.453 0.000 0.000 0.129 0.007 0.000

psi6 0.005 -0.481 0.136 0.006 0.000 0.017 0.024 0.000 0.000

psi7 -0.066 -0.070 -0.161 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.012 -0.275 -0.777 -0.124 0.000 0.000 0.002 0.014 0.000

psi9 0.030 0.084 0.420 0.018 0.000 0.000 0.132 0.006 0.000

 IleHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.018 0.125 0.034 0.000 0.000 0.004 0.305 0.010 0.000

psi2 0.000 0.001 0.050 0.000 0.000 0.021 0.006 0.000 0.000

psi3 0.001 0.031 0.140 0.857 0.006 0.000 0.001 0.000 0.000

psi4 0.000 -0.833 -3.462 -0.550 -0.555 0.000 0.001 0.000 0.011

psi5 0.002 1.008 2.350 -2.466 0.000 0.001 0.082 0.021 0.000

psi6 0.059 0.156 0.235 0.000 0.000 0.118 0.047 0.000 0.000

psi7 0.242 0.157 0.228 0.011 0.000 0.023 0.002 0.000 0.000

psi8 0.059 -0.242 0.172 0.110 0.000 0.000 0.001 0.001 0.000

psi9 0.216 0.487 0.352 0.059 0.000 0.000 0.073 0.006 0.001

 IleHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.002 0.036 0.000 0.000 0.002 0.005 0.000 0.000

psi2 0.000 0.007 0.000 0.000 0.070 0.037 0.013 0.000 0.000

psi3 0.019 0.017 0.360 -1.373 0.337 0.001 0.001 0.000 0.003

psi4 0.046 -0.132 3.632 3.216 0.024 0.000 0.002 0.000 0.000

psi5 0.025 1.013 -0.497 0.695 0.000 0.002 0.143 0.008 0.003

psi6 0.025 0.025 0.061 0.000 0.000 0.233 0.138 0.002 0.000

psi7 0.015 0.061 0.013 0.000 0.000 0.013 0.000 0.000 0.000

psi8 0.002 0.370 0.055 0.029 0.000 0.003 0.000 0.000 0.000

psi9 0.006 0.072 0.319 0.177 0.000 0.000 0.003 0.000 0.000

 IleSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.456 0.025 0.049 0.000 0.000 0.000 0.010 0.234 0.582

psi2 0.000 0.010 0.000 0.009 0.000 0.001 0.001 0.129 0.004

psi3 0.000 -0.220 -0.039 0.084 0.000 0.000 0.001 0.000 0.000

psi4 0.000 -0.268 -0.096 0.124 0.000 0.000 0.004 0.000 0.000

psi5 0.001 -0.553 -0.193 0.024 0.000 0.000 0.025 0.004 0.000

psi6 0.025 0.012 0.007 0.001 0.000 0.005 0.001 0.000 0.000

psi7 0.122 -0.699 -0.026 0.000 0.000 0.004 0.000 0.000 0.000

psi8 -0.643 -11.510 -5.699 0.023 0.000 0.000 0.000 0.000 0.001

psi9 1.293 -2.382 1.357 -0.055 0.000 0.000 0.000 0.135 0.074

 IleSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.818 -0.065 0.128 0.000 0.000 0.000 0.060 0.072 0.313

psi2 0.048 0.022 0.000 0.000 0.000 0.000 0.015 0.000 0.008

psi3 0.000 -0.049 -0.161 0.070 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.279 0.018 0.391 0.000 0.000 0.000 0.004 0.000

psi5 0.000 -0.689 0.240 0.005 0.000 0.000 0.022 0.005 0.000

psi6 0.004 -0.393 0.025 0.000 0.000 0.023 0.059 0.000 0.000

psi7 0.172 0.362 -0.143 0.000 0.000 0.000 0.019 0.000 0.115

psi8 2.043 -11.896 -3.207 -0.160 -0.093 0.000 0.000 0.004 0.178

psi9 2.993 -0.971 1.987 0.266 0.000 0.000 0.058 0.052 0.145

 IleSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.073 0.052 0.002 0.000 0.000 0.000 0.003 0.009 0.043

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.004 0.000 0.000

psi3 0.000 0.003 0.004 0.019 0.000 0.000 0.000 0.003 0.000

psi4 0.000 0.490 0.141 0.194 0.043 0.000 0.023 0.000 0.000

psi5 0.024 -0.055 0.170 0.011 0.000 0.003 0.026 0.008 0.000

psi6 0.004 0.058 0.004 0.004 0.000 0.217 0.033 0.000 0.000

psi7 0.079 -0.398 -0.022 0.000 0.000 0.000 0.000 0.000 0.024

psi8 0.416 -1.012 -2.191 0.079 0.000 0.000 0.004 0.000 0.049

psi9 0.560 1.251 0.249 0.183 0.000 0.000 0.004 0.000 0.001

 IleLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.405 0.165 0.408 0.009 0.071 0.021 0.201 0.108 0.049

psi2 -0.084 0.050 0.004 0.001 0.033 0.064 -0.100 0.002 0.002

psi3 0.081 -0.069 0.068 0.128 0.000 0.019 0.004 0.049 0.000

psi4 0.008 -2.413 0.494 0.315 0.000 0.001 -0.236 0.157 0.010

psi5 0.252 -0.680 0.430 -0.175 0.000 0.003 0.697 0.276 0.001

psi6 0.065 0.869 0.215 0.009 0.000 0.334 0.332 0.004 0.000

psi7 -0.057 -2.412 -1.431 0.020 0.050 0.029 0.141 0.002 0.000

psi8 0.497 -8.923 -5.889 0.096 0.000 0.032 -0.076 0.025 0.057

psi9 1.432 -1.980 1.811 0.629 0.000 0.000 0.073 0.047 0.174

 IleLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.232 0.244 1.317 0.026 0.000 0.061 0.324 0.243 0.285

psi2 0.007 -0.018 0.150 0.007 0.001 0.065 0.071 0.009 0.004

psi3 -0.385 -0.359 0.155 0.261 0.027 -0.168 0.053 0.000 0.048

psi4 -0.003 -1.366 1.621 -0.184 0.129 0.000 0.122 0.114 0.018

psi5 0.088 0.924 2.571 -0.245 0.000 0.019 1.772 0.223 0.010

psi6 0.153 1.167 0.623 0.001 0.006 1.273 1.158 0.114 0.005

psi7 0.433 1.238 0.352 0.010 0.017 0.151 0.102 0.013 0.031

psi8 0.842 -6.011 -5.795 2.126 0.013 0.021 -0.137 0.038 0.070

psi9 2.750 -2.578 7.075 1.023 0.005 0.028 0.276 0.249 -0.694

 IleLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.132 -0.152 0.309 0.001 0.138 0.050 0.112 0.008 0.027

psi2 0.082 0.136 0.076 0.012 0.096 0.220 0.125 0.020 0.032

psi3 0.089 -0.169 0.382 0.368 0.006 0.015 -0.175 0.023 0.004

psi4 0.178 0.527 2.767 0.936 0.016 0.094 0.257 0.247 0.117

psi5 0.312 0.789 3.611 0.412 0.007 0.184 2.547 0.344 0.008

psi6 0.239 1.325 0.599 0.116 0.114 3.284 1.787 0.018 -0.218

psi7 0.176 1.374 1.741 0.047 0.063 0.288 0.017 0.012 0.052

psi8 -0.431 -1.668 0.182 1.526 0.027 0.020 -0.143 0.002 0.092

psi9 0.564 0.274 2.837 1.130 0.000 0.000 0.105 0.010 0.043

 MetHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.005 0.001 0.001 0.000 0.000 0.002 0.009 0.000 0.000

psi2 0.002 0.000 0.015 0.000 0.000 0.004 0.003 0.000 0.000

psi3 0.002 0.015 0.174 0.181 0.016 0.000 0.000 0.000 0.000

psi4 0.007 0.022 -3.583 -0.382 0.000 0.000 0.000 0.001 0.000

psi5 0.008 -0.433 -0.771 0.064 0.000 0.000 0.004 0.003 0.000

psi6 0.001 -0.273 0.026 0.003 0.000 0.006 0.015 0.000 0.000

psi7 -0.141 0.024 0.021 0.000 0.000 0.000 0.000 0.000 0.000

psi8 0.007 -0.054 -0.005 0.032 0.000 0.000 0.001 0.005 0.000

psi9 0.008 0.064 0.097 0.006 0.000 0.000 0.004 0.003 0.000

 Methm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.006 0.010 0.017 0.000 0.000 0.002 0.023 0.007 0.000

psi2 0.000 0.043 0.003 0.000 0.000 0.013 0.008 0.000 0.000

psi3 0.001 -0.367 0.625 1.070 0.002 0.000 0.000 0.000 0.000

psi4 0.000 0.250 -6.265 1.087 0.011 0.000 0.000 0.000 0.004

psi5 0.001 0.339 -1.902 0.093 0.000 0.000 0.021 0.002 0.000

psi6 0.114 0.125 0.129 0.000 0.000 0.039 0.006 0.000 0.000

psi7 0.095 0.039 0.051 0.004 0.000 0.048 0.001 0.000 0.000

psi8 0.065 0.084 0.174 0.064 0.000 0.000 0.000 0.000 0.000

psi9 0.064 0.095 0.723 -0.047 0.000 0.000 0.043 0.003 0.000

 Methe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.001 0.001 0.000 0.000 0.003 0.002 0.000 0.000

psi2 0.000 0.003 0.000 0.000 0.031 0.010 0.005 0.000 0.000

psi3 -0.078 0.009 0.151 0.423 0.012 0.001 0.000 0.000 0.001

psi4 0.017 0.108 3.907 2.777 0.006 0.000 0.001 0.000 0.000

psi5 0.016 0.103 1.286 0.112 0.000 0.001 0.097 0.005 0.002

psi6 0.014 0.099 0.030 0.000 0.000 0.045 0.050 0.001 0.000

psi7 0.024 0.020 0.019 0.000 0.000 0.011 0.000 0.000 0.000

psi8 0.003 0.005 0.032 -0.082 0.000 0.002 0.000 0.000 0.000

psi9 0.002 0.002 0.178 0.022 0.000 0.000 0.001 0.000 0.000

 Metsb

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.072 0.102 -0.024 0.000 0.000 0.000 0.003 0.065 0.208

psi2 0.000 0.004 0.000 0.004 0.000 0.000 0.000 0.001 0.003

psi3 0.000 0.003 0.119 0.006 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.080 -0.279 0.107 0.000 0.000 0.002 0.000 0.000

psi5 0.000 0.034 0.011 0.006 0.000 0.000 0.006 0.001 0.000

psi6 0.006 0.002 0.006 0.000 0.000 0.003 0.000 0.000 0.000

psi7 -0.025 -0.085 0.036 0.000 0.000 0.002 0.000 0.000 0.000

psi8 -0.861 2.868 -0.616 0.080 0.000 0.000 0.000 0.000 0.000

psi9 -1.330 -1.545 0.053 0.031 0.000 0.000 0.000 0.003 0.025

 MetSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.140 0.018 0.059 0.000 0.000 0.000 0.076 0.015 0.132

psi2 0.017 0.004 0.000 0.000 0.000 0.000 0.004 0.000 0.002

psi3 0.000 0.003 0.010 0.008 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.045 -0.117 0.230 0.000 0.000 0.000 0.002 0.000

psi5 0.000 0.066 0.148 0.002 0.000 0.000 0.008 0.002 0.000

psi6 0.002 0.009 0.006 0.000 0.000 0.008 0.009 0.000 0.000

psi7 0.031 -0.092 0.080 0.000 0.000 0.000 0.002 0.000 0.089

psi8 0.405 -1.432 -1.559 0.199 0.002 0.000 0.000 0.002 0.026

psi9 -0.629 -1.289 0.410 0.037 0.000 0.000 0.012 0.040 0.017

 MetSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.021 0.046 0.002 0.000 0.000 0.000 0.001 0.000 0.002

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.002 0.000 0.000

psi3 0.000 0.002 0.002 0.082 0.000 0.000 0.000 0.002 0.000

psi4 0.000 0.015 0.052 0.109 0.002 0.000 0.004 0.000 0.000

psi5 0.006 0.026 0.037 0.005 0.000 0.001 0.017 0.003 0.000

psi6 0.001 0.010 0.002 0.002 0.000 0.018 0.012 0.000 0.000

psi7 0.013 0.024 0.022 0.000 0.000 0.000 0.000 0.000 0.006

psi8 0.201 0.005 0.678 0.094 0.000 0.000 0.002 0.000 0.006

psi9 0.308 0.456 0.750 0.135 0.000 0.000 0.002 0.000 0.000

 MetLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.006 -0.244 0.099 0.007 0.000 0.009 0.084 0.012 0.009

psi2 0.005 0.019 0.001 0.000 0.006 0.155 0.013 0.001 0.001

psi3 0.003 0.025 0.041 0.014 0.000 0.002 0.002 0.006 0.000

psi4 0.003 0.121 0.276 -0.223 0.000 0.000 0.015 0.019 0.004

psi5 0.021 -0.338 0.203 0.025 0.000 0.083 0.377 0.171 0.000

psi6 0.051 -1.072 -0.846 0.004 0.000 -0.011 0.191 0.002 0.000

psi7 0.322 -0.186 -0.170 0.008 0.003 -0.139 0.003 0.001 0.000

psi8 -0.479 0.430 0.667 -0.548 0.000 0.008 0.008 0.045 0.016

psi9 -0.317 0.043 -1.659 0.177 0.000 0.000 0.141 0.020 0.038

 Metlm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.099 0.206 0.222 0.007 0.000 0.007 0.093 0.055 0.046

psi2 0.003 0.035 0.045 0.003 0.000 0.021 0.393 0.008 0.017

psi3 0.016 -0.051 -0.040 0.057 0.007 0.008 0.025 0.000 0.052

psi4 -0.081 0.096 0.369 0.070 0.005 0.000 0.051 0.054 0.010

psi5 0.035 0.847 0.541 -0.017 0.000 0.007 0.859 0.080 0.004

psi6 0.008 0.087 -0.162 0.000 0.002 -0.470 -0.613 0.007 0.002

psi7 -0.133 -0.729 0.597 0.022 0.009 0.066 0.034 0.006 0.017

psi8 0.382 -0.853 -1.293 0.026 0.006 0.002 0.034 0.033 0.041

psi9 0.410 1.554 1.104 -0.116 0.002 0.006 0.131 0.247 0.058

 Metle

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.160 0.104 0.070 0.000 -2.068 0.011 0.048 0.003 0.011

psi2 -0.384 0.018 0.022 -0.200 0.001 0.206 0.060 0.007 0.009

psi3 0.033 0.078 0.090 0.094 0.002 0.006 0.117 0.014 0.002

psi4 0.039 -0.323 2.718 0.815 0.010 0.009 0.261 0.065 0.010

psi5 0.054 0.667 1.244 -0.362 0.007 0.073 1.402 0.096 0.002

psi6 0.080 0.937 -0.520 0.046 0.002 1.254 0.918 0.008 0.009

psi7 -0.002 -0.150 0.233 0.070 0.022 0.176 -0.038 0.005 0.001

psi8 -0.200 0.094 1.862 0.428 0.010 0.006 0.026 0.092 0.027

psi9 0.380 -2.662 1.817 0.649 0.000 0.000 0.012 0.002 0.024

 HisHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.011 0.001 0.001 0.000 0.000 0.001 0.016 0.000 0.000

psi2 0.001 0.000 0.010 0.000 0.000 0.004 0.001 0.000 0.000

psi3 0.001 0.012 0.178 0.102 0.016 0.000 0.000 0.000 0.000

psi4 0.006 -0.128 6.603 4.269 0.000 0.000 0.000 0.001 0.000

psi5 0.005 -1.335 0.608 -0.203 0.000 0.000 0.004 0.005 0.000

psi6 0.003 0.328 0.035 0.001 0.000 0.006 0.006 0.000 0.000

psi7 0.016 0.025 0.438 0.000 0.000 0.000 0.000 0.000 0.000

psi8 0.008 -0.015 0.044 0.127 0.000 0.000 0.002 0.010 0.000

psi9 0.009 0.012 -0.438 0.025 0.000 0.000 0.002 0.003 0.000

 HisHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.013 0.132 0.154 0.000 0.000 0.003 0.025 0.002 0.000

psi2 0.000 0.001 0.002 0.000 0.000 0.019 0.019 0.000 0.000

psi3 0.000 0.013 -0.272 0.559 0.002 0.000 0.000 0.000 0.000

psi4 -0.068 0.085 -1.134 -0.073 0.027 0.000 0.000 0.000 0.005

psi5 -0.168 -3.988 -0.247 0.542 0.000 0.046 0.027 0.002 0.000

psi6 0.007 -0.182 0.200 0.000 0.000 -0.181 0.006 0.000 0.000

psi7 0.026 -0.887 0.198 0.007 0.000 0.009 0.001 0.000 0.000

psi8 -0.107 0.047 -1.557 -0.070 0.000 0.000 0.000 0.011 0.000

psi9 -0.718 0.117 0.405 -0.089 0.000 0.000 0.056 0.006 0.000

 HisHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.001 0.001 0.000 0.000 0.002 0.002 0.000 0.000

psi2 0.000 0.002 0.000 0.000 0.010 -0.064 0.004 0.000 0.000

psi3 0.004 0.008 -1.584 0.608 0.023 0.001 0.000 0.000 0.001

psi4 0.053 -0.176 1.834 -1.576 0.010 0.000 0.001 0.000 0.000

psi5 0.016 -1.328 -0.748 0.136 0.000 0.002 0.042 0.005 0.006

psi6 0.004 -1.214 0.140 0.000 0.000 -0.021 -0.059 0.001 0.000

psi7 0.003 -0.553 0.009 0.000 0.000 0.010 0.000 0.000 0.000

psi8 0.002 -0.009 0.033 0.016 0.000 0.001 0.000 0.000 0.000

psi9 0.043 -0.075 -1.138 0.040 0.000 0.000 0.001 0.000 0.000

 HisSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.123 0.083 0.018 0.000 0.000 0.000 0.004 0.083 0.104

psi2 0.000 0.006 0.000 0.006 0.000 0.000 0.000 0.001 0.002

psi3 0.000 0.009 0.004 0.043 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.198 0.110 0.193 0.000 0.000 0.004 0.000 0.000

psi5 0.000 0.204 0.031 0.010 0.000 0.000 0.010 0.000 0.000

psi6 0.010 0.028 0.012 0.000 0.000 0.003 0.000 0.000 0.000

psi7 0.011 0.114 -0.059 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.406 4.244 1.984 -0.068 0.000 0.000 0.000 0.000 0.000

psi9 -0.898 2.179 0.944 0.040 0.000 0.000 0.000 0.024 0.024

 HisSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.620 0.268 0.074 0.000 0.000 0.000 0.111 0.111 0.127

psi2 0.011 -0.131 0.000 0.000 0.000 0.000 0.005 0.000 0.009

psi3 0.000 -0.025 0.013 0.014 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.138 -0.213 -0.072 0.000 0.000 0.000 0.003 0.000

psi5 0.000 0.102 0.035 0.004 0.000 0.000 0.017 0.004 0.000

psi6 0.018 0.013 0.010 0.000 0.000 0.123 0.015 0.000 0.000

psi7 -0.320 -0.046 -0.078 0.000 0.000 0.000 0.007 0.000 0.029

psi8 -1.034 -1.957 -0.288 0.187 0.001 0.000 0.000 0.004 0.040

psi9 -2.416 -0.920 0.133 0.050 0.000 0.000 0.021 0.040 -0.395

 HisSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.021 0.021 0.002 0.000 0.000 0.000 0.001 0.000 0.004

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.004 0.000 0.000

psi3 0.000 0.003 0.004 0.032 0.000 0.000 0.000 0.003 0.000

psi4 0.000 0.014 0.246 0.093 0.004 0.000 0.008 0.000 0.000

psi5 0.010 -0.024 0.072 0.010 0.000 0.001 0.013 0.007 0.000

psi6 0.001 0.028 0.003 0.003 0.000 0.014 -0.111 0.000 0.000

psi7 0.055 -0.284 0.127 0.000 0.000 0.000 0.000 0.000 0.018

psi8 -0.419 0.257 -0.023 0.056 0.000 0.000 0.003 0.000 0.010

psi9 0.026 -0.533 -0.152 0.078 0.000 0.000 0.003 0.000 0.000

 HisLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.202 0.000 0.143 0.002 0.000 0.009 0.040 0.013 0.012

psi2 0.003 -0.053 0.032 0.000 0.010 0.013 0.131 0.001 0.001

psi3 0.001 0.028 0.312 0.011 0.000 0.007 0.001 0.010 0.000

psi4 -0.019 -0.038 0.893 -0.085 0.000 0.000 0.017 0.014 0.006

psi5 0.052 0.387 0.013 0.047 0.000 0.001 0.364 0.070 0.000

psi6 -0.178 0.221 -0.365 0.006 0.000 -0.041 0.100 0.001 0.000

psi7 0.069 -0.026 0.307 0.012 0.007 0.029 -0.002 0.001 0.000

psi8 0.140 0.495 1.668 0.285 0.000 0.012 0.008 0.027 0.011

psi9 -0.126 0.227 2.616 0.217 0.000 0.000 0.164 0.152 -0.151

 HisLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.192 -0.050 0.373 0.012 0.000 -0.123 0.297 0.096 0.101

psi2 0.002 0.175 0.049 0.005 0.000 0.034 0.032 0.013 0.004

psi3 0.021 0.059 -0.078 0.084 0.011 0.010 0.018 0.000 0.010

psi4 0.027 0.543 0.503 0.271 0.007 0.000 -0.142 0.049 0.058

psi5 0.045 -0.637 0.274 0.155 0.000 0.011 0.503 0.397 0.006

psi6 0.202 -1.611 0.302 0.000 0.004 -1.085 0.511 0.011 0.001

psi7 -0.147 -0.684 -0.521 0.034 0.123 -0.090 -0.018 0.010 0.021

psi8 -0.171 -0.990 1.222 -0.687 0.007 0.007 0.201 0.008 -0.624

psi9 -1.387 -4.116 1.792 0.463 0.004 0.013 0.067 0.301 -0.008

 Hisle

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.386 -2.185 0.296 0.000 0.016 0.185 0.068 0.002 -0.021

psi2 0.031 0.053 0.031 0.007 -0.056 -0.092 0.295 0.005 0.015

psi3 0.038 0.099 0.098 0.116 0.004 0.008 0.036 0.312 0.001

psi4 0.020 0.094 0.023 0.298 0.012 0.020 0.208 0.233 0.016

psi5 0.007 0.000 0.359 0.382 0.012 0.049 1.226 0.106 -0.151

psi6 -0.082 -1.041 -0.325 0.090 0.002 -1.484 -1.274 0.007 0.015

psi7 -0.863 -2.661 -0.164 0.059 0.025 0.303 0.113 0.005 0.002

psi8 0.121 -1.329 -2.189 0.116 0.009 0.006 -0.216 0.001 0.027

psi9 -0.273 1.084 2.793 0.699 0.000 0.000 0.014 0.002 0.043

 TyrHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.023 0.003 0.002 0.000 0.000 0.003 0.031 0.000 0.000

psi2 0.002 0.002 0.009 0.000 0.000 0.007 0.002 0.000 0.000

psi3 0.004 -0.022 0.006 0.268 0.009 0.000 0.000 0.000 0.000

psi4 -0.009 -0.361 -0.445 1.354 0.000 0.000 0.000 0.002 0.000

psi5 0.014 -1.097 -1.126 0.095 0.000 0.000 0.008 0.007 0.000

psi6 0.004 0.211 0.041 0.002 0.000 0.011 0.019 0.000 0.000

psi7 0.166 -0.410 0.033 0.000 0.000 0.000 0.000 0.000 0.000

psi8 0.014 -0.068 -0.080 0.119 0.000 0.000 0.002 0.022 0.000

psi9 0.022 0.023 0.125 -0.080 0.000 0.000 0.004 0.021 0.000

 TyrHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.025 0.015 0.038 0.000 0.000 0.003 0.080 0.006 0.000

psi2 0.000 0.001 -0.018 0.000 0.000 0.066 0.024 0.000 0.000

psi3 0.001 0.188 0.149 -1.265 0.067 0.000 0.001 0.000 0.000

psi4 0.000 -0.227 -0.796 0.066 0.032 0.000 0.001 0.000 0.007

psi5 0.002 -2.861 -1.782 0.820 0.000 0.000 0.388 0.003 0.000

psi6 0.045 -0.377 0.311 0.000 0.000 0.027 0.029 0.000 0.000

psi7 0.069 -0.778 0.074 0.005 0.000 0.009 0.001 0.000 0.000

psi8 -0.044 -0.405 -0.330 -0.987 0.000 0.000 0.001 0.000 0.000

psi9 0.092 0.190 0.857 0.031 0.000 0.000 0.077 0.008 0.001

 Tyrhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.003 0.006 0.000 0.000 0.002 0.003 0.000 0.000

psi2 0.000 0.003 0.000 0.000 0.073 0.022 0.007 0.000 0.000

psi3 0.009 0.009 0.186 0.316 0.006 0.002 0.000 0.000 0.001

psi4 0.030 -0.234 3.541 3.199 0.012 0.000 0.002 0.000 0.000

psi5 0.020 0.358 1.109 0.270 0.000 0.002 0.131 0.007 0.002

psi6 0.017 0.106 -0.314 0.000 0.000 0.203 0.193 0.001 0.000

psi7 -0.259 0.031 0.013 0.000 0.000 0.008 0.000 0.000 0.000

psi8 0.002 0.010 0.054 0.068 0.000 0.002 0.000 0.000 0.000

psi9 0.005 0.037 0.434 -0.199 0.000 0.000 0.001 0.000 0.000

 TyrSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.115 0.205 0.041 0.000 0.000 0.000 0.082 0.041 0.252

psi2 0.000 0.013 0.000 0.012 0.000 0.000 0.001 0.003 0.223

psi3 0.000 0.014 0.006 0.012 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.359 0.095 -0.053 0.000 0.000 0.004 0.000 0.000

psi5 0.000 0.092 0.097 0.072 0.000 0.000 0.013 0.001 0.000

psi6 0.013 0.008 0.012 0.000 0.000 -0.132 0.000 0.000 0.000

psi7 0.020 0.087 0.313 0.000 0.000 0.008 0.000 0.000 0.000

psi8 -0.130 0.980 1.956 0.057 0.000 0.000 0.000 0.000 0.000

psi9 -1.816 -4.454 0.071 0.087 0.000 0.000 0.000 0.013 0.166

 TyrSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.291 0.235 0.173 0.000 0.000 0.000 0.019 0.449 0.745

psi2 0.093 0.017 0.000 0.000 0.000 0.000 0.019 0.000 0.010

psi3 0.000 0.009 0.016 -0.007 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.226 0.019 -0.063 0.000 0.000 0.000 0.004 0.000

psi5 0.000 0.591 0.188 0.005 0.000 0.000 0.020 0.005 0.000

psi6 0.148 0.017 0.034 0.000 0.000 0.033 0.058 0.000 0.000

psi7 0.057 -0.614 0.441 0.000 0.000 0.000 0.014 0.000 0.069

psi8 -1.153 -3.176 -1.318 0.022 0.002 0.000 0.000 0.004 0.056

psi9 -5.049 -3.491 -1.940 0.233 0.000 0.000 0.035 0.122 0.093

 TyrSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.032 0.019 0.003 0.000 0.000 0.000 0.002 0.000 0.004

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.004 0.000 0.000

psi3 0.000 0.000 -0.213 0.131 0.000 0.000 0.000 0.003 0.000

psi4 0.000 0.033 0.062 -0.224 0.004 0.000 0.022 0.000 0.000

psi5 0.012 0.032 -0.334 0.011 0.000 0.001 0.021 0.007 0.000

psi6 0.001 0.013 0.003 0.004 0.000 0.024 0.014 0.000 0.000

psi7 0.038 0.111 0.050 0.000 0.000 0.000 0.000 0.000 0.012

psi8 -1.192 -0.851 -0.955 -0.078 0.000 0.000 0.004 0.000 0.012

psi9 0.482 -0.888 -1.290 0.074 0.000 0.000 0.036 0.000 0.000

 TyrLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.059 0.014 0.237 0.005 0.000 0.019 0.229 0.040 0.022

psi2 0.015 0.045 0.002 0.001 0.033 0.030 0.024 0.001 0.002

psi3 0.004 0.204 -0.012 -0.150 0.000 0.013 0.003 0.020 0.000

psi4 0.009 -0.169 -0.584 0.303 0.000 0.000 -0.244 0.068 0.006

psi5 -0.049 -0.316 0.891 0.031 0.000 0.002 0.672 0.118 0.001

psi6 0.031 0.129 -0.025 0.012 0.000 -0.030 -0.173 0.002 0.000

psi7 0.087 -1.083 0.343 0.026 0.013 -0.012 0.006 0.001 0.000

psi8 0.501 -0.570 -0.663 0.701 0.000 0.019 0.013 0.011 0.022

psi9 -0.900 -0.391 0.813 0.842 0.000 0.000 0.190 0.083 -0.092

 TyrLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.242 0.242 1.255 0.020 0.000 0.019 0.214 0.148 0.113

psi2 0.004 0.052 0.074 0.007 0.001 0.133 0.043 0.006 0.005

psi3 0.027 -0.007 0.091 0.169 0.014 0.015 0.069 0.000 0.012

psi4 0.046 0.163 0.664 0.025 0.013 0.000 -0.693 0.098 0.013

psi5 0.061 -1.268 2.139 0.262 0.000 0.014 1.328 0.430 0.013

psi6 0.018 -0.519 -0.495 0.000 0.007 -1.311 0.403 0.012 0.002

psi7 0.097 -1.297 -1.069 0.072 0.026 0.493 0.109 0.017 0.034

psi8 -1.649 -1.940 -0.500 1.138 0.016 0.013 -0.235 0.020 0.077

psi9 -2.535 -4.830 1.552 -0.234 0.005 0.026 0.241 0.094 0.097

 TyrLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.295 -1.457 0.155 0.001 0.008 0.234 0.105 0.006 0.049

psi2 0.035 -0.472 0.053 0.013 0.004 0.146 0.270 0.007 0.021

psi3 0.103 0.133 -0.018 0.148 0.006 0.015 0.236 0.027 0.003

psi4 0.516 0.586 1.867 1.638 0.012 0.017 0.210 0.091 0.021

psi5 -0.109 0.478 4.628 0.279 0.005 0.018 1.670 0.169 0.005

psi6 0.175 0.514 0.480 0.060 0.004 0.742 1.575 0.014 0.022

psi7 0.108 0.597 0.999 -1.000 0.020 0.163 0.104 0.008 0.003

psi8 0.283 0.779 1.579 0.697 0.020 0.011 0.012 0.001 0.054

psi9 -1.542 0.529 2.126 0.036 0.000 0.000 0.026 0.004 -0.407

 AlaHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.011 0.006 0.006 0.000 0.000 -0.024 0.029 0.001 0.001

psi2 0.006 -0.018 0.023 0.000 0.001 0.016 0.007 0.001 0.000

psi3 0.011 0.046 -0.286 0.467 -2.236 0.000 0.000 0.000 0.000

psi4 -0.060 0.780 -0.834 -4.788 0.000 0.000 0.000 0.004 0.000

psi5 0.013 1.372 1.134 -1.821 0.000 0.000 0.069 0.020 0.000

psi6 0.007 0.255 -0.033 0.008 0.000 0.171 0.038 0.000 0.000

psi7 -0.260 0.058 -0.105 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.026 0.232 0.155 0.223 0.000 0.000 0.005 0.009 0.000

psi9 0.172 0.140 -0.133 0.124 0.000 0.000 0.010 0.009 0.000

 AlaHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.016 -0.059 0.083 0.000 0.000 0.012 -0.040 0.012 0.000

psi2 0.000 0.003 0.009 0.000 0.000 0.046 0.081 0.000 0.000

psi3 -0.135 0.164 -0.394 1.367 -0.216 0.000 0.002 0.000 0.000

psi4 0.000 0.431 -2.617 -6.548 0.080 0.000 0.002 0.001 0.014

psi5 0.004 0.682 1.400 -1.896 0.000 0.005 0.117 0.009 0.001

psi6 0.019 0.199 -0.564 0.000 0.000 0.014 0.170 0.000 0.000

psi7 0.039 0.105 -1.318 0.014 0.000 -0.068 0.002 0.000 0.000

psi8 0.478 0.283 0.827 -0.239 0.000 0.000 0.001 0.001 0.000

psi9 0.053 0.059 -0.186 0.023 0.000 0.000 0.212 0.045 0.017

 Alahe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.004 0.012 0.000 0.000 -0.042 0.007 0.000 0.000

psi2 0.000 0.009 0.000 0.000 -0.399 0.160 0.038 0.000 0.000

psi3 0.026 0.003 0.872 1.010 0.144 0.002 0.001 0.000 -0.251

psi4 -1.833 0.864 -7.664 -3.936 0.055 0.000 0.066 0.000 0.000

psi5 0.042 0.649 -4.089 0.533 0.000 0.005 0.142 0.016 0.006

psi6 0.034 0.162 -0.109 0.000 0.000 -0.611 0.146 0.004 0.000

psi7 -0.126 0.179 0.031 0.000 0.000 0.025 0.000 0.000 0.000

psi8 0.003 0.028 0.011 0.202 0.000 0.005 0.000 0.000 0.000

psi9 0.028 0.056 -0.384 0.127 0.000 0.000 0.004 0.000 0.000

 AlaSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.114 -0.177 0.075 0.000 0.000 0.000 0.144 0.092 0.355

psi2 0.000 0.012 0.000 0.011 0.000 0.001 0.002 0.006 0.008

psi3 0.000 -0.101 0.021 -0.132 0.000 0.000 0.002 0.000 0.000

psi4 0.000 0.341 0.520 -0.485 0.000 0.000 0.017 0.000 0.000

psi5 0.001 -0.187 -0.044 0.055 0.000 0.000 0.076 0.001 0.000

psi6 0.032 -0.051 0.020 0.001 0.000 0.040 0.101 0.000 0.000

psi7 0.172 0.865 0.310 0.000 0.000 0.219 0.000 0.000 0.000

psi8 -0.451 6.260 1.052 0.060 0.000 0.000 0.000 0.000 0.002

psi9 -5.454 -1.463 1.823 0.198 0.000 0.000 0.001 0.072 -0.013

 AlaSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.017 0.097 0.363 0.000 0.000 0.000 0.112 0.117 0.299

psi2 0.092 0.029 0.000 0.000 0.000 0.000 0.131 0.000 0.012

psi3 0.000 0.020 0.050 0.068 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.113 -0.700 0.140 0.000 0.000 0.000 0.016 0.000

psi5 0.000 -0.083 -0.626 0.058 0.000 0.000 0.072 0.017 0.000

psi6 0.018 -0.012 0.031 0.000 0.000 0.027 0.071 0.000 0.000

psi7 0.151 0.435 0.325 0.000 0.000 0.001 0.012 0.000 0.091

psi8 0.343 8.464 2.344 0.240 0.005 0.000 0.000 0.017 0.237

psi9 -2.984 2.459 0.636 0.167 0.000 0.000 0.110 0.095 0.160

 AlaSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.087 0.047 0.005 0.000 0.000 0.000 -1.062 0.000 0.089

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.018 0.000 0.000

psi3 0.000 0.006 0.017 -0.059 0.000 0.000 0.000 0.016 0.000

psi4 0.000 -0.165 0.005 -0.374 0.017 0.000 0.025 0.000 0.000

psi5 0.030 0.127 0.201 0.098 0.000 0.003 0.066 0.033 0.000

psi6 0.004 0.158 -0.022 0.017 0.000 0.068 0.052 0.000 0.000

psi7 0.146 -0.067 0.163 0.000 0.000 0.000 0.000 0.000 0.030

psi8 0.421 2.031 0.864 0.207 0.000 0.000 0.017 0.000 0.030

psi9 -0.473 0.242 0.253 0.340 0.000 0.000 0.017 0.000 0.001

 AlaLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.114 -0.340 0.457 0.011 0.000 -0.069 0.174 0.190 0.166

psi2 0.026 -0.053 0.006 -0.015 0.030 -0.198 0.033 0.003 0.005

psi3 0.008 0.173 0.506 0.056 0.000 0.012 0.007 0.056 0.001

psi4 0.020 0.318 0.164 0.281 0.000 0.001 0.074 0.074 0.018

psi5 0.177 0.489 0.484 0.041 0.000 0.004 0.904 0.362 0.002

psi6 -0.129 -0.160 -0.097 0.011 0.000 -0.292 0.277 0.029 0.000

psi7 -0.297 0.256 -0.757 -0.180 0.013 0.262 0.013 0.003 0.001

psi8 -0.510 3.087 2.725 -0.225 0.000 -0.206 0.028 0.084 0.036

psi9 -3.944 0.931 -1.902 0.860 0.000 0.000 0.421 0.194 -0.240

 AlaLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.194 0.228 1.538 0.034 0.000 0.037 1.141 0.323 0.400

psi2 0.010 0.040 0.209 0.023 0.002 -0.029 0.432 0.020 0.018

psi3 0.069 0.203 -0.319 -0.485 0.035 0.141 -0.338 0.000 0.031

psi4 0.215 0.157 -1.416 0.134 0.015 0.000 0.286 0.136 -0.066

psi5 0.180 2.111 -0.043 0.206 0.001 0.043 0.964 0.310 0.013

psi6 0.126 0.408 0.180 0.001 0.040 0.941 0.987 0.041 -0.038

psi7 0.412 1.647 2.078 0.148 0.020 -0.017 0.188 0.028 0.038

psi8 0.244 2.629 0.152 -2.955 0.018 0.012 0.223 0.188 0.150

psi9 0.258 4.781 -4.574 -1.972 0.018 0.023 0.476 0.318 -1.605

 AlaLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.131 0.229 0.238 -0.003 0.016 0.087 0.316 0.255 0.036

psi2 -0.004 0.103 0.086 0.014 0.004 0.329 0.661 0.039 0.044

psi3 0.286 0.189 -0.329 0.329 -0.187 0.133 0.463 0.044 0.006

psi4 -0.392 -0.389 -5.812 -2.392 0.028 0.048 0.416 0.289 0.031

psi5 0.250 -0.886 1.893 0.380 0.017 0.088 1.644 0.784 0.008

psi6 0.205 -1.170 -0.929 -0.380 0.011 1.313 1.317 0.080 0.049

psi7 -0.124 -0.412 -1.381 0.148 0.145 -0.144 -0.275 -0.173 0.004

psi8 -0.098 2.638 -1.666 -1.088 0.046 0.022 -0.162 0.034 0.029

psi9 -2.063 2.647 0.992 -0.843 0.000 0.000 0.048 0.008 0.056

 GlyHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.025 0.004 -0.169 0.000 0.000 0.006 -0.762 -0.068 -0.076

psi2 0.005 0.002 -0.164 0.000 0.000 -0.304 -0.126 0.000 0.000

psi3 0.008 0.033 0.160 -0.484 0.025 0.000 0.000 0.000 0.000

psi4 0.013 0.472 9.112 7.081 0.000 0.000 0.000 -0.011 0.000

psi5 -0.061 0.852 0.937 -0.107 0.000 0.000 -0.269 -0.253 -0.170

psi6 0.009 -0.461 -0.288 0.006 0.000 0.021 -0.676 0.000 0.000

psi7 0.042 0.154 0.091 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.017 0.250 0.840 0.127 0.000 0.000 0.004 -0.347 -0.122

psi9 0.023 -0.068 0.276 -0.076 0.000 0.000 -0.244 -0.198 -0.025

 GlyHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.032 -0.008 -0.519 0.000 0.000 -0.096 -1.452 -0.073 0.000

psi2 0.000 -0.253 0.083 0.000 0.000 -0.106 -0.599 0.000 0.000

psi3 0.001 0.050 0.470 1.035 0.004 0.000 -0.044 0.000 0.000

psi4 0.000 1.001 9.836 6.622 0.031 0.000 -0.087 0.000 0.012

psi5 -0.015 1.381 3.195 0.365 0.000 0.001 -1.977 -0.310 0.000

psi6 0.013 0.164 0.281 0.000 0.000 -0.249 -0.724 -0.143 0.000

psi7 0.073 0.297 0.298 0.011 0.000 0.021 -0.124 0.000 0.000

psi8 0.045 0.163 0.580 0.220 0.000 0.000 0.001 -0.161 0.000

psi9 -0.267 0.273 0.178 0.062 0.000 0.000 -3.382 -0.225 -0.263

 Glyhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.003 -0.062 0.000 0.000 -0.074 -0.335 -0.167 0.000

psi2 0.000 0.007 0.000 0.000 0.045 -0.898 -0.125 0.000 0.000

psi3 0.017 0.027 1.260 0.478 0.037 -0.038 0.000 0.000 0.004

psi4 0.077 0.742 10.456 8.167 0.066 0.000 0.027 0.000 0.000

psi5 0.031 1.237 1.582 0.113 0.000 0.004 -3.997 -0.290 -0.091

psi6 0.020 0.325 0.077 0.000 0.000 0.278 -1.217 -0.093 0.000

psi7 0.027 0.039 0.037 0.000 0.000 -0.032 0.000 0.000 0.000

psi8 0.004 0.015 0.191 0.050 0.000 0.005 0.000 0.000 0.000

psi9 0.026 0.030 0.214 0.081 0.000 0.000 0.004 0.000 0.000

 GlySB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -4.850 -0.817 -0.263 0.000 0.000 0.000 -0.096 -0.614 -3.783

psi2 0.000 -0.190 -0.071 0.014 0.000 0.001 -0.121 -0.056 -0.379

psi3 0.050 -0.125 0.018 0.139 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.208 0.620 0.719 0.000 0.000 -0.171 0.000 0.000

psi5 0.001 0.132 0.231 0.045 0.000 0.000 -1.092 -0.092 0.000

psi6 0.046 0.047 -0.760 0.031 0.000 0.008 -0.030 -0.103 0.000

psi7 0.024 0.846 0.405 0.000 0.000 0.012 0.000 0.000 0.000

psi8 1.550 11.925 5.680 0.379 0.000 0.000 0.000 -0.168 -0.016

psi9 0.643 3.324 1.515 0.088 0.000 0.000 0.000 -0.882 -1.587

 GlySM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -2.543 -0.469 0.562 0.000 0.000 0.000 -0.919 -1.933 -8.273

psi2 -0.780 0.024 0.000 0.000 0.000 0.000 -0.700 0.000 -1.228

psi3 0.000 0.017 0.028 0.064 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.357 0.932 0.758 0.000 0.000 0.000 -0.171 0.000

psi5 0.000 0.624 0.516 0.016 0.000 0.000 -1.031 -0.305 0.000

psi6 0.086 -0.034 0.046 0.000 0.000 0.043 -0.722 0.000 0.000

psi7 0.237 0.979 0.872 0.000 0.000 0.000 -0.005 0.000 -0.700

psi8 2.745 11.163 4.086 0.531 0.004 0.000 0.000 -0.559 -0.145

psi9 1.817 6.549 2.513 0.329 0.000 0.000 -0.783 -0.650 -2.185

 Glyse

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -1.432 -0.107 0.059 0.000 0.000 0.000 -0.447 0.000 -0.296

psi2 0.000 0.000 0.000 0.000 0.000 0.000 -0.170 0.046 0.000

psi3 0.000 0.004 0.028 -0.046 0.000 0.000 0.000 -0.171 0.000

psi4 0.000 0.222 0.304 0.391 0.013 0.000 -0.440 0.000 0.000

psi5 0.068 0.034 -0.064 0.040 0.000 0.004 -0.939 -0.342 0.000

psi6 0.005 0.060 0.014 0.013 0.000 -0.101 -1.003 0.000 0.000

psi7 0.171 0.271 0.024 0.000 0.000 0.000 0.000 0.000 0.045

psi8 0.777 4.426 2.275 0.404 0.000 0.000 -0.156 0.000 0.045

psi9 -0.116 1.857 1.000 0.414 0.000 0.000 -0.171 0.000 0.001

 GlyLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.093 -1.332 -2.357 -0.082 0.000 -0.582 -2.464 -1.170 -0.234

psi2 0.094 -0.185 -0.056 0.001 -0.314 -0.873 -0.685 0.012 -0.121

psi3 0.001 0.084 0.007 -0.175 0.000 0.010 -0.070 -0.384 0.000

psi4 0.013 0.525 1.843 0.889 0.000 0.001 -0.384 -0.240 -0.131

psi5 -0.017 1.433 1.251 0.100 0.000 0.003 -8.201 -3.161 0.001

psi6 0.082 0.833 0.283 0.014 0.000 -0.121 -2.993 0.021 -0.122

psi7 0.305 1.051 1.112 0.029 0.011 0.227 -0.172 0.017 0.000

psi8 0.927 4.955 5.453 1.694 0.000 0.021 -0.176 -1.150 0.011

psi9 0.307 1.334 3.897 0.362 0.000 0.000 -1.576 -1.624 -1.594

 Glylm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -2.665 -2.178 -4.348 0.079 0.000 0.320 -6.773 -5.427 -3.774

psi2 0.091 -0.335 -0.640 -0.382 0.001 -0.882 -1.508 0.152 -0.082

psi3 0.226 0.465 0.317 0.429 0.048 0.206 -0.018 0.000 -0.384

psi4 0.098 1.054 3.701 1.889 0.023 -0.017 -0.779 -3.517 -0.057

psi5 0.108 0.492 5.098 0.327 0.000 0.246 -17.712 -8.307 0.015

psi6 0.071 1.746 0.161 0.001 -0.460 1.260 -5.838 -0.443 -0.024

psi7 0.577 1.195 1.493 0.084 0.033 0.272 -0.161 -0.211 0.175

psi8 1.396 5.893 8.366 3.655 0.019 0.010 -0.717 -1.848 -0.513

psi9 2.991 6.294 4.299 2.748 0.003 0.024 -7.230 -4.335 -2.253

 GlyLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.180 -1.389 -2.311 0.001 0.023 -0.363 -3.598 -0.748 -1.052

psi2 0.061 -0.395 -0.106 0.017 -0.158 -4.250 -6.312 -0.369 -0.535

psi3 -0.390 0.244 0.051 0.123 0.013 -0.224 -1.215 -0.508 -0.127

psi4 0.043 1.408 5.942 3.306 0.158 -0.799 -9.133 -4.528 0.147

psi5 0.052 0.691 4.722 0.078 0.017 -0.809 -28.190 -9.361 0.075

psi6 -1.234 1.156 -0.526 0.177 0.009 3.142 -10.486 -1.413 -0.413

psi7 0.296 1.463 -0.115 0.142 -0.064 -0.394 0.628 0.014 -0.040

psi8 1.059 3.360 6.141 3.538 -0.086 -0.006 -1.058 -0.023 0.013

psi9 0.756 2.389 4.999 1.957 0.000 0.000 -2.362 -0.067 -0.005

 ProHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.008 0.003 0.003 0.000 0.000 0.004 0.039 0.000 0.000

psi2 0.003 0.001 0.014 0.000 0.000 0.008 0.002 0.000 0.000

psi3 0.043 0.026 0.190 0.230 0.009 0.000 0.000 0.000 0.000

psi4 0.010 0.230 14.967 2.325 0.000 0.000 0.000 0.002 0.000

psi5 0.015 0.430 1.660 0.075 0.000 0.000 0.010 0.011 0.000

psi6 0.007 0.097 -0.010 0.004 0.000 0.047 0.021 0.000 0.000

psi7 0.016 0.051 -0.119 0.000 0.000 0.000 0.000 0.000 0.000

psi8 0.009 0.134 -0.080 -0.390 0.000 0.000 0.004 0.007 0.000

psi9 0.018 0.140 0.164 -0.028 0.000 0.000 0.006 0.005 0.000

 ProHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.011 0.137 0.037 0.000 0.000 0.004 0.037 0.010 0.000

psi2 0.000 0.344 0.004 0.000 0.000 0.042 0.007 0.000 0.000

psi3 0.001 0.025 0.418 0.921 0.003 0.000 0.001 0.000 0.000

psi4 0.000 0.623 16.509 -2.329 0.041 0.000 0.001 0.000 0.010

psi5 0.003 1.241 3.353 0.055 0.000 0.240 0.077 0.005 0.000

psi6 0.008 0.156 -0.274 0.000 0.000 0.067 0.032 0.000 0.000

psi7 0.110 0.227 0.289 -0.077 0.000 0.017 0.002 0.000 0.000

psi8 0.018 0.190 -1.847 -0.706 0.000 0.000 0.001 0.001 0.000

psi9 0.267 0.191 -2.277 -1.352 0.000 0.000 0.056 0.010 0.001

 ProHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.036 0.004 0.000 0.000 0.003 0.004 0.000 0.000

psi2 0.000 0.005 0.000 0.000 0.023 0.012 0.006 0.000 0.000

psi3 0.012 0.017 0.469 -1.630 0.064 0.001 0.000 0.000 0.002

psi4 0.045 0.464 8.206 -9.439 0.069 0.000 0.002 0.000 0.000

psi5 0.024 0.981 1.446 -1.098 0.000 0.003 0.753 0.008 0.003

psi6 0.020 0.166 0.046 0.000 0.000 0.158 0.269 0.002 0.000

psi7 0.012 0.030 0.114 0.000 0.000 0.015 0.000 0.000 0.000

psi8 0.003 0.010 0.122 -0.224 0.000 0.003 0.000 0.000 0.000

psi9 0.189 0.564 -1.376 -1.855 0.000 0.000 0.002 0.000 0.000

 ProSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.302 0.189 -0.078 0.000 0.000 0.000 0.011 0.034 0.251

psi2 0.000 0.012 0.000 0.012 0.000 0.001 0.001 0.003 0.005

psi3 0.000 0.015 0.042 0.090 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.074 0.438 0.351 0.000 0.000 0.014 0.000 0.000

psi5 0.000 0.330 0.113 0.023 0.000 0.000 0.023 0.001 0.000

psi6 0.024 0.094 0.014 0.000 0.000 0.004 0.001 0.000 0.000

psi7 0.023 0.350 0.427 0.000 0.000 0.005 0.000 0.000 0.000

psi8 1.084 10.382 2.505 0.038 0.000 0.000 0.000 0.000 0.001

psi9 4.312 5.661 -3.525 -0.431 0.000 0.000 0.000 0.040 0.199

 ProSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.423 0.250 -0.324 0.000 0.000 0.000 0.058 0.064 0.312

psi2 0.039 0.028 0.000 0.000 0.000 0.000 0.018 0.000 0.006

psi3 0.000 0.015 0.054 0.098 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.093 0.899 -0.222 0.000 0.000 0.000 0.014 0.000

psi5 0.000 0.338 0.394 -0.169 0.000 0.000 0.058 0.056 0.000

psi6 0.046 0.030 0.021 0.000 0.000 0.015 0.057 0.000 0.000

psi7 0.135 0.461 0.837 0.000 0.000 0.000 0.014 0.000 0.148

psi8 1.996 8.153 -2.181 -1.565 0.004 0.000 0.000 0.014 0.091

psi9 4.061 6.159 -2.605 -0.619 0.000 0.000 0.056 0.262 0.153

 ProSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.064 0.324 0.002 0.000 0.000 0.000 0.002 0.000 0.014

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.014 0.000 0.000

psi3 0.000 0.004 0.053 -0.116 0.000 0.000 0.000 0.013 0.000

psi4 0.000 0.049 0.497 -0.214 0.014 0.000 0.020 0.000 0.000

psi5 0.023 0.090 -0.103 -0.328 0.000 0.002 0.063 0.027 0.000

psi6 0.002 0.089 0.014 -0.171 0.000 0.134 0.038 0.000 0.000

psi7 0.127 0.234 -0.327 0.000 0.000 0.000 0.000 0.000 0.023

psi8 0.603 2.315 -1.452 -2.468 0.000 0.000 0.014 0.000 0.023

psi9 0.892 1.197 -2.000 -0.700 0.000 0.000 0.014 0.000 0.000

 ProLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.297 0.105 -0.227 0.009 0.000 0.019 0.436 0.070 0.052

psi2 0.013 0.063 0.003 0.001 0.023 0.034 0.027 0.171 0.002

psi3 0.003 0.083 0.156 0.026 0.000 0.014 0.004 0.023 0.000

psi4 0.011 0.374 0.619 -0.881 0.000 0.000 0.036 0.043 0.010

psi5 0.048 1.207 1.869 -0.074 0.000 0.002 0.658 0.146 0.001

psi6 0.256 0.787 -0.938 -0.192 0.000 0.395 0.222 0.003 0.000

psi7 0.107 0.738 -0.091 0.025 0.014 0.207 0.047 0.001 0.000

psi8 0.764 3.288 1.706 -1.911 0.000 0.120 0.021 0.198 0.025

psi9 1.945 2.696 -7.238 -1.972 0.000 0.000 0.078 0.074 0.133

 ProLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.578 0.455 -0.748 -0.272 0.000 0.020 0.965 0.228 0.318

psi2 0.014 0.142 -0.707 -0.287 0.033 0.055 0.154 0.011 0.013

psi3 0.076 0.111 0.119 -0.291 0.020 0.019 0.036 0.000 0.109

psi4 0.053 0.682 -0.615 -6.385 -0.190 0.000 0.149 0.083 0.016

psi5 0.099 3.023 -4.633 -1.571 0.000 0.030 2.116 0.395 0.020

psi6 0.110 1.433 -0.881 0.001 0.004 1.743 0.710 0.018 0.004

psi7 0.322 0.174 -0.586 -0.025 0.021 0.403 0.222 0.025 0.031

psi8 1.527 4.547 -2.045 -9.394 -0.279 0.014 0.177 0.030 0.100

psi9 3.542 5.430 -17.112 -8.114 0.013 0.045 0.376 0.116 0.469

 ProLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.050 0.233 -0.716 0.001 0.008 0.142 0.404 0.009 0.141

psi2 0.044 0.096 -0.096 0.014 0.004 0.286 0.450 0.010 0.028

psi3 0.096 0.015 -0.200 -0.766 0.014 0.016 0.062 0.126 0.003

psi4 0.094 0.969 -5.452 -14.152 0.017 -0.094 0.556 0.232 0.024

psi5 0.146 2.882 -6.399 -2.025 0.009 0.268 3.211 0.443 0.006

psi6 0.156 0.932 -1.042 -1.635 0.007 1.926 1.982 0.033 0.033

psi7 0.147 0.630 -3.850 -0.378 0.031 0.209 0.196 0.012 0.004

psi8 0.502 3.282 -7.927 -9.148 0.018 0.015 0.054 0.032 0.061

psi9 1.371 1.857 -18.645 -9.118 0.000 0.000 0.030 0.086 0.037

 AsnHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.023 0.003 -0.172 0.000 0.000 0.004 0.129 0.000 0.000

psi2 0.019 0.002 0.008 0.000 0.000 0.011 0.002 0.000 0.000

psi3 -0.159 -0.074 0.216 0.247 0.032 0.000 0.000 0.000 0.000

psi4 0.014 0.126 13.045 4.327 0.000 0.000 0.000 0.003 0.000

psi5 0.010 0.807 1.254 0.139 0.000 0.000 0.014 0.028 0.000

psi6 0.004 -0.164 -0.059 0.003 0.000 0.018 0.026 0.000 0.000

psi7 0.034 -0.190 0.043 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.015 0.079 -0.452 -0.170 0.000 0.000 0.002 0.022 0.000

psi9 -0.006 0.148 0.250 0.027 0.000 0.000 0.006 0.005 0.000

 AsnHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.279 -0.351 -0.349 0.000 0.000 0.003 0.056 0.007 0.000

psi2 0.000 0.001 0.006 0.000 0.000 0.061 0.037 0.000 0.000

psi3 0.001 -0.014 0.720 0.797 0.003 -0.016 0.001 0.000 0.000

psi4 0.000 -0.362 2.594 4.601 0.046 0.000 0.001 0.000 0.006

psi5 -0.002 -1.525 -0.662 0.393 0.000 0.223 0.037 0.004 0.000

psi6 -0.103 -0.657 -0.449 0.000 0.000 -0.910 0.120 0.000 0.000

psi7 -0.633 -0.854 0.040 0.006 0.000 -0.069 0.002 0.000 0.000

psi8 -1.078 -0.292 -0.008 -0.737 0.000 0.000 0.001 0.001 -0.066

psi9 -0.011 -0.958 -1.362 -0.095 0.000 0.000 0.217 0.008 0.001

 Asnhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 -0.261 -0.080 0.000 0.000 0.002 0.035 0.000 0.000

psi2 0.000 0.004 0.000 0.000 0.034 0.154 0.003 0.000 0.000

psi3 0.007 0.023 -0.148 0.201 0.025 0.003 0.000 0.000 0.002

psi4 0.055 0.349 -0.194 0.876 0.048 0.000 0.002 0.000 0.000

psi5 0.024 -1.188 -5.358 -1.009 0.000 0.002 -0.144 0.043 0.002

psi6 0.034 0.098 -0.057 0.000 0.000 -1.237 -1.442 0.002 0.000

psi7 -0.326 0.188 -0.758 0.000 0.000 -0.036 0.000 0.000 0.000

psi8 -0.076 -0.111 -1.265 -0.023 0.000 0.002 0.000 0.000 0.000

psi9 0.005 0.835 -0.486 0.037 0.000 0.000 0.002 0.000 0.000

 AsnSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.331 -0.044 0.048 0.000 0.000 0.000 0.018 0.044 0.097

psi2 0.000 0.060 0.000 0.015 0.000 0.001 0.001 0.004 0.004

psi3 0.000 0.017 0.028 0.008 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.246 0.464 0.174 0.000 0.000 0.002 0.000 0.000

psi5 0.000 0.098 0.020 0.023 0.000 0.000 0.023 0.001 0.000

psi6 0.024 0.040 0.034 0.000 0.000 -0.149 0.139 0.000 0.000

psi7 -0.003 0.633 -0.189 0.000 0.000 0.010 0.000 0.000 0.000

psi8 1.128 8.405 3.157 0.086 0.000 0.000 0.000 0.000 0.001

psi9 2.757 5.488 0.889 0.061 0.000 0.000 0.000 0.038 0.062

 AsnSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.536 -0.614 0.160 0.000 0.000 0.000 0.107 0.159 0.482

psi2 0.117 0.151 0.000 0.000 0.000 0.000 0.014 0.000 0.009

psi3 0.000 0.029 -0.033 0.010 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.211 -0.253 0.211 0.000 0.000 0.000 0.002 0.000

psi5 0.000 -0.251 -0.358 -0.010 0.000 0.000 0.017 0.017 0.000

psi6 0.002 -0.050 0.024 0.000 0.000 0.032 -0.082 0.000 0.000

psi7 -0.451 1.225 -0.481 0.000 0.000 0.000 0.017 0.000 0.069

psi8 0.974 5.174 0.127 0.292 0.003 0.000 0.000 0.003 0.085

psi9 0.783 3.088 1.051 0.087 0.000 0.000 0.046 0.042 0.266

 AsnSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.167 0.044 0.003 0.000 0.000 0.000 0.004 0.000 0.116

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.003 0.000 0.000

psi3 0.000 0.002 0.002 0.115 0.000 0.000 0.000 0.002 0.000

psi4 0.000 0.046 0.329 0.216 0.002 0.000 0.083 0.000 0.000

psi5 0.023 -0.439 -0.162 0.049 0.000 0.002 0.021 0.004 0.000

psi6 -0.007 -0.865 0.095 0.002 0.000 -1.441 -0.237 0.000 0.000

psi7 0.284 -0.058 0.099 0.000 0.000 0.022 0.000 0.000 -0.406

psi8 -1.983 -2.307 0.639 0.103 0.000 0.000 0.003 0.000 0.023

psi9 0.210 0.438 0.137 -0.568 0.000 0.000 0.017 0.000 0.000

 AsnLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.654 0.131 0.520 0.007 0.000 0.016 0.098 0.039 0.082

psi2 0.015 0.069 0.003 0.001 0.023 -0.064 0.030 0.001 0.001

psi3 0.005 0.058 0.145 0.027 0.000 0.016 0.003 0.023 0.000

psi4 0.010 0.041 0.269 0.014 0.000 0.000 0.045 0.041 0.007

psi5 -0.146 0.657 -0.609 0.030 0.000 -0.104 0.649 0.136 0.001

psi6 -0.280 -0.476 -0.728 0.010 0.000 -0.694 -0.049 0.003 0.000

psi7 -0.065 0.152 -1.461 0.020 0.017 0.116 0.023 0.002 0.000

psi8 0.064 3.201 0.653 1.912 0.000 0.046 0.185 0.257 0.026

psi9 1.740 1.226 3.830 0.955 0.000 0.000 0.099 0.149 0.098

 AsnLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -1.466 -0.507 -0.558 0.310 0.000 0.017 0.433 0.223 0.016

psi2 0.051 0.061 -0.048 0.004 0.001 -0.236 0.216 0.027 0.003

psi3 0.088 -0.126 -0.393 0.189 -0.152 0.012 0.338 0.000 0.023

psi4 0.064 0.755 2.196 1.161 0.011 0.000 -0.151 0.153 0.007

psi5 0.212 -2.398 0.559 0.194 0.000 -0.288 0.290 0.467 0.010

psi6 -1.077 -2.108 -1.337 0.000 0.006 -3.343 -1.461 0.011 0.004

psi7 -0.497 -1.979 -4.336 -0.411 0.018 -0.709 -0.122 0.012 0.025

psi8 -0.471 -0.716 -1.478 0.497 0.012 0.016 0.225 0.029 -0.324

psi9 0.598 -0.766 3.731 1.933 0.003 0.026 0.477 0.215 0.063

 AsnLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.020 0.284 0.147 0.001 0.031 0.030 0.293 0.006 0.029

psi2 0.069 0.165 -0.010 -0.002 0.005 -0.329 0.338 0.017 0.030

psi3 0.052 0.022 0.438 -0.056 -0.011 0.013 0.176 0.046 0.021

psi4 -2.677 0.689 0.951 2.434 0.035 0.030 0.447 0.034 -0.076

psi5 -0.562 -6.274 -5.163 0.242 -0.367 -1.147 0.032 0.139 -0.121

psi6 -0.260 -5.692 -0.794 0.144 0.008 -8.131 -2.529 0.017 0.029

psi7 -0.609 -0.391 -1.749 -0.146 0.041 -1.174 -0.827 0.008 0.004

psi8 -0.736 0.269 -3.762 1.022 -0.068 -0.808 0.075 0.002 0.198

psi9 0.127 1.681 0.618 -0.294 0.000 0.000 0.037 0.007 -0.023

 ThrHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.015 0.004 0.004 0.000 0.000 0.005 0.033 0.000 0.000

psi2 -0.092 0.002 0.017 0.000 0.060 0.016 0.003 0.000 0.000

psi3 0.032 0.083 0.221 0.214 0.009 0.000 0.000 0.000 0.000

psi4 0.015 -0.202 6.650 2.569 0.000 0.000 0.000 0.003 0.000

psi5 0.019 -0.203 0.095 -0.603 0.000 0.000 0.015 0.011 0.000

psi6 0.008 0.163 0.093 0.006 0.000 0.046 0.028 0.000 0.000

psi7 0.028 0.165 0.118 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.014 -0.063 0.103 0.189 0.000 0.000 0.003 0.156 0.000

psi9 0.027 -0.455 -0.036 0.025 0.000 0.000 0.007 0.007 0.000

 ThrHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.018 -0.042 0.161 0.000 0.000 0.022 0.156 0.010 0.000

psi2 0.000 -0.053 0.006 0.000 0.000 0.233 0.021 0.000 0.000

psi3 0.001 -0.112 1.610 1.396 0.004 0.000 0.002 0.000 0.000

psi4 0.000 -0.577 3.362 4.601 0.044 0.000 0.001 0.000 0.010

psi5 0.054 0.021 -0.456 0.891 0.000 -0.313 0.190 0.006 0.000

psi6 0.011 0.091 0.325 0.000 0.000 0.125 0.019 0.000 0.000

psi7 0.071 0.186 0.253 0.009 0.000 0.022 0.002 0.000 0.000

psi8 0.169 0.162 -0.226 0.066 0.000 0.000 0.001 0.001 0.000

psi9 -0.684 -1.825 -2.371 0.156 0.000 0.000 0.097 0.013 0.027

 Thrhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 -0.044 0.010 0.000 0.000 0.003 0.004 0.000 0.000

psi2 0.000 0.007 0.000 0.000 0.013 0.340 0.246 0.000 0.000

psi3 0.015 -0.092 0.587 0.902 0.204 0.001 0.001 0.000 0.003

psi4 0.046 -1.761 4.588 -2.136 0.014 0.000 0.003 0.000 0.000

psi5 0.028 -1.137 -2.367 0.433 0.000 0.003 0.396 0.010 0.004

psi6 0.032 -0.244 0.063 0.000 0.000 0.169 0.108 0.003 0.000

psi7 -0.067 0.035 0.017 0.000 0.000 0.017 0.000 0.000 0.000

psi8 0.003 0.014 0.443 0.034 0.000 0.009 0.000 -0.913 0.000

psi9 -0.255 -0.473 -2.876 0.088 0.000 0.000 0.004 0.000 0.000

 ThrSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.114 -0.332 0.047 0.000 0.000 0.000 0.011 0.038 0.276

psi2 0.000 0.013 0.000 0.012 0.000 0.001 0.001 0.004 0.006

psi3 0.000 0.014 0.010 0.015 0.000 0.000 0.001 0.000 0.000

psi4 0.000 -0.137 0.561 0.314 0.000 0.000 0.005 0.000 0.000

psi5 0.001 0.075 0.125 0.014 0.000 0.000 0.014 0.001 0.000

psi6 0.014 0.017 0.018 0.001 0.000 0.007 0.001 0.000 0.000

psi7 0.137 0.377 0.516 0.000 0.000 0.009 0.000 0.000 0.000

psi8 1.555 3.603 5.182 0.261 0.000 0.000 0.000 0.000 0.001

psi9 2.397 -1.763 0.427 0.138 0.000 0.000 0.001 0.029 0.061

 ThrSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.491 0.131 0.213 0.000 0.000 0.000 0.049 0.161 0.402

psi2 0.128 0.017 0.000 0.000 0.000 0.000 0.024 0.000 0.010

psi3 0.000 0.009 0.103 0.080 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.011 0.459 0.693 0.000 0.000 0.000 0.005 0.000

psi5 0.000 -0.370 -0.179 0.007 0.000 0.000 0.049 0.006 0.000

psi6 0.047 0.024 0.014 0.000 0.000 0.027 0.145 0.000 0.000

psi7 -0.673 0.812 0.069 0.000 0.000 0.000 0.013 0.000 0.065

psi8 0.388 -4.614 1.141 -0.843 0.004 0.000 0.000 0.005 -0.012

psi9 2.574 -4.444 0.930 -0.770 0.000 0.000 0.029 0.052 0.514

 ThrSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.794 0.052 0.004 0.000 0.000 0.000 0.002 0.000 0.006

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.006 0.000 0.000

psi3 0.000 0.003 0.005 0.153 0.000 0.000 0.000 0.004 0.000

psi4 0.000 -0.578 0.330 0.111 0.005 0.000 0.022 0.000 0.000

psi5 0.013 -0.430 0.206 0.015 0.000 0.003 0.031 0.010 0.000

psi6 0.003 0.010 0.005 0.005 0.000 0.118 0.040 0.000 0.000

psi7 0.267 0.241 0.201 0.000 0.000 0.000 0.000 0.000 0.013

psi8 0.731 -5.182 -1.679 0.135 0.000 0.000 0.005 0.000 0.013

psi9 -0.412 -4.301 -1.284 0.202 0.000 0.000 0.005 0.000 0.001

 ThrLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.368 0.319 -0.374 0.011 0.000 0.214 0.550 0.067 0.032

psi2 0.017 0.219 0.004 0.001 0.013 0.045 0.037 0.002 0.003

psi3 0.005 0.134 0.111 -0.160 0.000 0.012 0.004 0.014 0.000

psi4 -0.034 -0.197 1.095 0.874 0.000 -0.136 0.059 0.081 0.010

psi5 0.069 0.057 0.237 0.042 0.000 0.003 1.013 0.247 0.001

psi6 0.165 0.239 -0.009 0.013 0.000 0.296 0.260 0.004 0.000

psi7 0.190 0.264 1.058 0.026 0.013 0.021 0.009 0.002 0.000

psi8 0.231 0.873 2.516 0.336 0.000 -0.057 0.138 0.031 0.017

psi9 -0.347 -1.656 1.856 0.331 0.000 0.000 -0.028 0.073 0.365

 ThrLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.097 -1.490 0.469 0.025 0.000 0.085 0.230 0.214 0.441

psi2 0.008 -0.118 -0.117 0.012 0.001 0.187 0.152 0.019 0.009

psi3 -0.093 -1.100 -0.067 -0.444 -0.080 0.020 0.069 0.000 0.014

psi4 -0.243 -1.055 -1.592 0.656 0.015 0.000 0.236 0.079 0.019

psi5 0.257 -3.598 -1.510 0.108 0.000 0.106 1.848 0.346 0.014

psi6 0.321 -0.533 0.449 0.001 0.002 1.240 1.099 0.115 0.005

psi7 0.162 0.019 1.068 0.200 0.032 0.353 0.114 0.022 -0.249

psi8 0.165 -1.201 2.200 2.182 -0.080 0.013 -0.101 0.041 0.079

psi9 -0.286 -8.332 -0.773 2.556 0.010 0.025 0.243 0.406 0.143

 ThrLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.077 -0.682 0.219 0.001 0.008 0.057 0.365 0.011 0.038

psi2 0.045 0.095 0.070 0.015 0.006 0.508 0.524 0.037 0.017

psi3 0.002 -0.035 -1.102 0.279 0.010 0.078 0.131 0.076 0.003

psi4 -0.168 -2.190 -2.074 0.670 0.024 0.024 0.493 0.243 -0.111

psi5 -0.757 -5.884 -3.291 0.567 0.017 0.217 3.306 0.367 0.010

psi6 0.184 -0.463 0.430 0.050 0.016 2.743 1.055 0.027 0.033

psi7 -0.153 -0.559 0.736 0.083 -0.225 0.423 0.161 0.144 0.005

psi8 0.306 -4.160 -2.697 1.215 0.031 0.023 0.114 0.003 0.018

psi9 -2.053 -5.463 -2.003 1.289 0.000 0.000 0.051 0.009 0.076

 SerHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.006 0.004 0.005 0.000 0.000 0.007 0.026 0.001 0.000

psi2 0.004 0.002 0.016 0.000 0.000 0.017 -0.051 0.000 0.000

psi3 0.010 0.025 0.735 0.489 0.102 0.000 0.000 0.000 0.000

psi4 0.016 0.163 9.489 3.246 0.000 0.000 0.000 0.003 0.000

psi5 0.022 -0.888 -0.760 0.480 0.000 0.000 0.092 0.012 0.000

psi6 -0.113 0.348 0.193 0.006 0.000 -0.039 0.029 0.000 0.000

psi7 0.029 0.102 0.000 0.000 0.000 0.001 0.000 0.000 0.000

psi8 -0.068 -0.025 -0.567 0.070 0.000 0.000 -0.093 0.012 0.000

psi9 -0.284 0.030 -1.503 0.066 0.000 0.000 0.008 0.006 0.000

 SerHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.018 -0.275 -0.353 0.000 0.000 0.006 0.047 0.008 0.000

psi2 0.000 0.002 0.005 0.000 0.000 0.027 0.017 0.000 0.000

psi3 0.032 0.142 0.851 -0.632 -0.098 0.000 0.002 0.000 0.000

psi4 0.000 0.265 5.182 4.586 0.058 0.000 0.089 0.001 0.011

psi5 0.004 0.453 0.387 1.168 0.000 0.014 0.054 0.531 0.000

psi6 -0.161 0.096 -0.514 0.000 0.000 0.518 -0.111 0.000 0.000

psi7 0.161 0.521 0.038 0.010 0.000 0.019 0.002 0.000 0.000

psi8 -0.095 -1.518 -1.851 -0.427 0.000 0.000 0.001 0.001 0.000

psi9 -3.026 -0.883 -4.203 -0.188 0.000 0.000 0.077 0.012 0.001

 Serhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.004 -0.009 0.000 0.000 0.004 0.005 0.000 0.000

psi2 0.000 0.008 0.000 0.000 0.041 -0.234 0.013 0.000 0.000

psi3 0.017 0.018 -0.084 1.648 0.057 0.020 0.001 0.000 0.050

psi4 0.149 0.020 0.021 2.830 -0.139 0.000 0.003 0.000 0.000

psi5 -0.384 0.663 -4.757 0.032 0.000 0.003 0.665 0.010 0.004

psi6 0.028 -0.054 -0.106 0.000 0.000 0.401 0.244 0.002 0.000

psi7 0.042 0.021 0.019 0.000 0.000 -0.494 0.000 0.000 0.000

psi8 0.003 0.017 0.361 0.110 0.000 0.004 0.000 0.000 0.000

psi9 0.083 0.004 -0.526 -0.210 0.000 0.000 -0.094 0.000 0.000

 SerSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.944 0.193 0.146 0.000 0.000 0.000 0.013 0.055 0.328

psi2 0.000 0.014 0.000 0.013 0.000 0.001 0.004 0.004 0.006

psi3 0.000 0.030 0.011 0.098 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.075 0.346 -0.099 0.000 0.000 0.005 0.000 0.000

psi5 0.001 0.116 -0.233 0.034 0.000 0.000 0.035 0.002 0.000

psi6 -0.335 0.037 0.034 0.001 0.000 0.008 0.001 0.000 0.000

psi7 0.135 0.142 0.655 0.000 0.000 0.012 0.000 0.000 0.000

psi8 0.186 10.853 3.934 0.179 0.000 0.000 0.000 0.000 0.115

psi9 -0.998 1.176 -2.266 -0.513 0.000 0.000 0.001 0.063 0.239

 SerSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.985 0.342 -1.316 0.000 0.000 0.000 0.310 0.208 0.394

psi2 -0.349 0.020 0.000 0.000 0.000 0.000 0.024 0.000 0.012

psi3 0.000 -0.159 0.024 0.136 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.620 0.528 0.401 0.000 0.000 0.000 0.005 0.000

psi5 0.000 -0.637 0.252 0.008 0.000 0.000 0.029 0.006 0.000

psi6 0.006 0.047 0.162 0.000 0.000 0.029 0.039 0.000 0.000

psi7 -0.156 0.275 0.477 0.000 0.000 0.000 -0.224 0.000 0.148

psi8 0.676 6.089 2.781 0.358 0.004 0.000 0.000 0.006 -0.064

psi9 -5.271 1.228 -2.095 -0.075 0.000 0.000 0.049 0.308 0.191

 SerSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.511 0.105 0.004 0.000 0.000 0.000 0.003 0.000 0.043

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.006 0.000 0.000

psi3 0.000 0.004 0.006 0.201 0.000 0.000 0.000 0.005 0.000

psi4 0.000 0.052 0.057 0.098 0.048 0.000 0.027 0.000 0.000

psi5 0.034 0.051 0.103 0.016 0.000 0.004 0.027 0.010 0.000

psi6 0.004 0.027 0.026 0.005 0.000 0.528 0.030 0.000 0.000

psi7 -0.079 0.792 0.219 0.000 0.000 0.000 0.000 0.000 0.034

psi8 0.480 0.688 0.498 0.473 0.000 0.000 0.006 0.000 0.034

psi9 -2.960 -1.264 0.872 0.168 0.000 0.000 0.005 0.000 0.001

 SerLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.240 -0.143 0.061 -0.001 0.000 0.056 -0.229 0.138 0.036

psi2 -0.098 -0.056 0.005 0.002 0.034 -0.245 0.056 0.002 0.004

psi3 -0.556 0.086 0.243 -0.023 0.000 0.015 0.045 0.035 0.000

psi4 0.013 0.326 -0.292 0.193 0.000 0.032 -0.037 0.058 0.015

psi5 -0.027 0.432 0.225 -0.086 0.000 0.003 1.291 0.238 0.001

psi6 0.487 0.643 0.513 0.014 0.000 1.028 0.322 0.004 0.000

psi7 -0.091 1.132 1.156 -0.183 -0.121 -0.053 -0.084 0.002 0.000

psi8 0.040 1.554 2.096 1.264 0.000 0.033 0.052 0.027 0.038

psi9 1.227 1.301 -0.196 0.577 0.000 0.000 0.116 0.096 -0.296

 SerLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -1.247 -0.163 -0.887 -0.207 0.000 0.167 0.709 0.498 -0.025

psi2 -0.037 0.067 0.133 0.016 -0.135 0.302 0.122 0.028 0.014

psi3 -0.095 -0.484 -0.006 0.104 -0.031 0.021 0.054 0.000 0.034

psi4 -0.140 0.085 0.798 0.809 -0.400 0.000 0.226 0.213 0.020

psi5 -0.019 -0.879 -1.817 0.102 0.001 0.032 1.989 0.459 -0.099

psi6 0.176 0.449 0.164 0.001 0.004 0.696 0.672 0.020 0.119

psi7 -0.428 1.385 -1.292 -0.309 0.031 0.401 -0.106 -0.177 -0.155

psi8 0.164 2.756 2.590 0.695 0.017 0.015 0.177 0.084 0.112

psi9 -3.774 -3.491 -3.858 -0.192 0.015 -0.209 0.450 0.449 0.008

 SerLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.036 0.052 -0.508 0.001 0.070 -0.001 0.198 0.127 0.040

psi2 -2.441 -0.090 0.098 0.015 0.005 0.350 0.430 0.022 0.040

psi3 0.012 1.125 0.286 -2.422 0.016 -0.016 -1.221 0.099 0.004

psi4 -0.283 -1.659 -3.759 -0.182 -0.182 0.049 -0.048 0.151 0.064

psi5 -0.695 -3.665 -10.166 -4.031 0.026 0.227 3.128 0.543 0.008

psi6 0.227 -0.241 -1.425 0.249 0.000 0.477 0.652 0.022 0.042

psi7 -0.197 0.433 -0.349 -1.694 0.096 -0.021 -0.168 0.013 0.044

psi8 -0.482 0.122 -1.416 -2.274 0.041 -0.772 0.290 -0.085 -0.727

psi9 -2.606 -0.722 -3.807 -0.244 0.000 0.000 0.048 0.023 0.058

 ArgHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.015 0.003 0.003 0.000 0.000 0.003 0.022 0.000 0.000

psi2 0.004 0.001 0.016 0.000 0.000 0.027 0.004 0.000 0.000

psi3 0.003 -0.127 0.266 0.340 0.063 0.000 0.000 0.000 0.000

psi4 0.013 0.269 10.954 6.850 0.000 0.000 0.000 0.002 0.000

psi5 0.016 0.820 2.181 0.239 0.000 0.000 0.010 0.011 0.000

psi6 0.010 -0.054 -0.009 0.004 0.000 0.015 0.019 0.000 0.000

psi7 0.247 0.181 0.120 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.397 0.061 0.143 0.059 0.000 0.000 0.003 0.014 0.000

psi9 0.077 0.074 0.535 0.013 0.000 0.000 0.006 0.006 0.000

 ArgHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.356 0.233 0.036 0.000 0.000 0.004 0.045 0.025 0.000

psi2 0.000 0.002 0.005 0.000 0.000 0.074 0.022 0.000 0.000

psi3 0.001 0.018 -0.255 0.192 0.016 0.000 0.000 0.000 0.000

psi4 0.000 1.814 0.589 -3.976 0.052 0.000 0.001 0.000 0.013

psi5 0.003 -0.379 0.889 0.318 0.000 0.001 0.054 0.032 0.000

psi6 0.007 -0.026 -0.116 0.000 0.000 -0.545 0.242 0.000 0.000

psi7 0.080 0.154 0.174 0.008 0.000 0.022 0.002 0.000 0.000

psi8 0.083 0.237 -0.081 -0.016 0.000 0.000 0.001 0.045 0.000

psi9 0.150 0.831 0.047 0.049 0.000 0.000 0.094 0.011 0.001

 ArgHE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.002 0.006 0.000 0.000 0.003 0.004 0.000 0.000

psi2 0.000 0.007 0.000 0.000 0.027 0.014 0.009 0.000 0.000

psi3 0.011 0.024 -4.398 -3.058 -0.298 0.002 0.000 0.000 0.002

psi4 0.162 -0.970 -7.408 -3.471 0.027 0.000 0.002 0.000 0.000

psi5 0.023 0.567 0.494 -1.394 0.000 0.003 0.108 0.007 0.004

psi6 -0.364 -0.067 -0.138 0.000 0.000 -0.500 -1.524 0.002 0.000

psi7 0.020 -0.065 0.028 0.000 0.000 0.151 0.000 0.000 0.000

psi8 0.003 0.047 -0.050 -0.444 0.000 0.004 0.000 0.000 0.000

psi9 0.008 0.006 0.235 0.038 0.000 0.000 0.002 0.002 0.000

 ArgSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.401 0.422 0.123 0.000 0.000 0.000 0.009 0.092 0.210

psi2 0.000 0.012 0.000 0.011 0.000 0.001 0.001 0.003 0.004

psi3 0.000 0.043 -0.166 0.044 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.087 0.790 0.439 0.000 0.000 0.015 0.000 0.000

psi5 0.000 0.143 0.119 0.088 0.000 0.000 0.027 0.000 0.000

psi6 0.027 0.013 0.023 0.001 0.000 0.007 0.001 0.000 0.000

psi7 -0.221 0.495 0.269 0.000 0.000 0.004 0.000 0.000 0.000

psi8 0.884 6.216 3.758 -0.057 0.000 0.000 0.000 0.000 -0.136

psi9 1.869 4.745 1.256 0.047 0.000 0.000 0.000 0.090 0.064

 ArgSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.279 0.885 0.158 0.000 0.000 0.000 0.038 0.141 0.345

psi2 0.050 -0.160 0.000 0.000 0.000 0.000 0.022 0.000 0.008

psi3 0.000 0.017 0.137 0.130 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.182 -0.121 -0.321 0.000 0.000 0.000 0.014 0.000

psi5 0.000 0.191 0.443 0.016 0.000 0.000 0.059 0.015 0.000

psi6 0.054 -0.011 0.027 0.000 0.000 0.022 0.114 0.000 0.000

psi7 0.121 0.784 -0.005 0.000 0.000 0.100 0.010 0.000 0.091

psi8 -0.222 0.860 0.019 0.267 0.004 0.000 0.000 0.015 0.104

psi9 -2.267 -3.820 -0.637 0.297 0.000 0.000 0.067 0.085 0.324

 ArgSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.136 -1.055 0.005 0.000 0.000 0.000 0.003 0.000 0.015

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.015 0.000 0.000

psi3 0.000 0.003 -0.170 -0.080 0.000 0.000 0.000 0.014 0.000

psi4 0.000 -0.122 -0.218 -0.575 0.015 0.000 0.014 0.000 0.000

psi5 -0.402 0.082 -0.424 0.043 0.000 -0.043 0.053 0.029 0.000

psi6 0.002 -0.279 -0.141 0.014 0.000 0.079 0.054 0.000 0.000

psi7 0.067 -0.541 0.160 0.000 0.000 0.000 0.000 0.000 0.051

psi8 -1.587 -5.486 -3.145 -1.076 0.000 0.000 0.053 0.000 0.042

psi9 -2.045 -2.227 -1.229 0.413 0.000 0.000 0.015 0.000 0.000

 ArgLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.626 0.016 0.286 0.007 0.000 0.021 0.169 0.032 0.045

psi2 0.094 0.051 0.003 0.015 0.073 0.027 0.025 0.002 0.003

psi3 0.004 -0.079 0.161 0.031 0.000 0.009 0.004 0.027 0.000

psi4 0.009 0.407 0.933 0.582 0.000 0.001 0.046 0.089 0.011

psi5 0.047 0.744 1.925 0.042 0.000 0.002 0.825 0.498 0.001

psi6 0.052 0.623 0.309 0.012 0.000 0.023 0.255 0.003 0.000

psi7 0.150 0.405 1.207 0.061 0.010 0.031 0.006 0.002 0.000

psi8 0.560 3.113 3.361 0.816 0.000 0.020 0.021 0.015 -0.048

psi9 0.688 1.264 4.018 0.543 0.000 0.000 0.081 0.049 0.163

 ArgLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.232 -0.283 0.680 0.026 0.000 0.020 0.459 0.273 0.164

psi2 0.005 -0.445 0.021 0.017 0.001 0.065 0.060 0.009 0.014

psi3 -0.028 0.188 -0.609 -0.017 0.029 0.026 0.001 0.000 0.027

psi4 0.172 0.696 -2.946 0.077 0.013 0.000 0.647 0.173 0.021

psi5 0.105 0.284 -0.590 0.056 0.000 0.026 2.079 0.466 0.013

psi6 -0.228 -1.815 0.165 0.000 0.011 0.236 0.069 0.019 0.003

psi7 0.412 -0.828 0.235 0.066 0.022 0.056 0.074 0.025 0.035

psi8 -0.960 0.038 1.540 -0.289 0.047 -0.230 0.055 0.034 0.225

psi9 -2.069 -0.005 -0.685 0.933 0.014 0.021 -0.003 0.107 0.125

 ArgLE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.130 0.483 -0.645 0.001 0.062 0.043 0.057 0.232 0.035

psi2 0.106 -0.234 -0.165 0.013 0.001 0.008 -0.918 0.014 0.040

psi3 0.159 -0.140 0.036 0.533 0.015 0.016 0.585 0.032 0.287

psi4 0.133 -2.370 -2.121 -0.235 0.019 0.047 0.597 0.163 -0.036

psi5 0.120 -0.213 -3.549 -0.998 0.007 -1.400 1.900 0.478 0.116

psi6 -0.057 -1.237 -2.190 0.146 0.006 -2.797 0.348 0.029 0.033

psi7 -0.060 -1.157 0.327 -2.051 0.089 0.163 0.211 0.014 0.005

psi8 -0.779 -0.699 -1.647 0.211 0.146 0.018 0.072 0.001 0.014

psi9 -2.933 -1.191 -3.600 1.104 0.000 0.000 0.144 0.116 0.061

 GlnHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.007 0.003 0.003 0.000 0.000 0.004 0.015 0.000 0.000

psi2 0.003 0.001 0.011 0.000 0.000 0.007 0.004 0.000 0.000

psi3 0.006 0.021 0.350 0.222 0.040 0.000 0.000 0.000 0.000

psi4 0.008 0.124 7.518 5.373 0.000 0.000 0.000 0.002 0.000

psi5 0.011 0.227 -0.131 0.117 0.000 0.000 0.010 0.009 0.000

psi6 0.005 0.107 0.042 0.004 0.000 -0.225 0.025 0.000 0.000

psi7 0.016 0.045 0.031 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.015 0.072 -0.454 0.065 0.000 0.000 0.002 0.006 0.000

psi9 0.098 -0.102 -0.108 0.014 0.000 0.000 0.005 0.004 0.000

 GlnHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.009 0.016 -0.066 0.000 0.000 0.004 0.039 0.007 0.000

psi2 0.000 0.001 0.120 0.000 0.000 0.023 0.010 0.000 0.000

psi3 0.060 0.069 0.639 -0.207 0.003 0.000 0.001 0.000 0.000

psi4 0.000 0.533 -6.203 1.295 0.054 0.000 0.001 0.000 0.007

psi5 0.002 -0.561 1.444 0.827 0.000 0.001 0.039 0.004 0.000

psi6 0.008 0.179 0.396 0.000 0.000 0.504 0.012 0.000 0.000

psi7 0.405 -0.307 0.283 0.009 0.000 0.010 0.001 0.000 0.000

psi8 0.059 -0.457 -0.807 0.217 0.000 0.000 0.001 0.001 0.000

psi9 0.415 0.193 1.013 0.087 0.000 0.000 0.068 0.009 0.113

 Glnhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.027 0.039 0.000 0.000 0.002 0.003 0.000 0.000

psi2 0.000 0.005 0.000 0.000 0.012 0.013 0.005 0.000 0.000

psi3 0.006 0.008 -1.807 -1.422 0.176 0.003 0.028 0.000 0.002

psi4 0.066 -0.063 -6.735 -8.168 0.012 0.000 -0.262 0.000 0.000

psi5 0.030 -0.817 -3.077 0.426 0.000 0.002 0.095 0.007 0.003

psi6 0.024 0.319 -0.365 0.000 0.000 -0.047 0.054 0.001 0.000

psi7 -0.567 -0.191 0.043 0.000 0.000 -0.003 0.000 0.000 0.000

psi8 0.002 -0.421 -0.013 0.040 0.000 0.003 0.047 0.000 0.000

psi9 0.051 0.161 0.571 0.043 0.000 0.000 0.002 0.000 0.000

 GlnSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.235 0.370 0.034 0.000 0.000 0.000 0.012 0.022 0.110

psi2 0.000 0.011 0.000 0.010 0.000 0.001 0.001 0.002 0.004

psi3 0.000 0.009 0.006 -0.174 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.119 0.266 -0.347 0.000 0.000 0.004 0.000 0.000

psi5 0.000 0.074 0.058 0.037 0.000 0.000 0.074 0.002 0.000

psi6 0.013 0.030 0.026 -0.137 0.000 0.005 0.001 0.000 0.000

psi7 0.041 0.010 0.000 0.000 0.000 -0.114 0.000 0.000 0.000

psi8 0.970 3.764 1.902 0.072 0.000 0.000 0.000 0.000 0.001

psi9 2.000 3.682 1.399 0.038 0.000 0.000 0.033 0.020 0.059

 GlnSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.486 -0.070 -0.041 0.000 0.000 0.000 0.112 0.032 0.158

psi2 0.037 0.050 0.000 0.000 0.000 0.000 0.015 0.000 0.008

psi3 0.000 0.030 -0.048 0.013 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.157 0.008 0.322 0.000 0.000 0.000 0.003 0.000

psi5 0.000 0.308 0.189 0.004 0.000 0.000 0.019 0.004 0.000

psi6 0.004 0.020 0.037 0.000 0.000 0.030 0.017 0.000 0.000

psi7 0.090 0.012 -0.060 0.000 0.000 0.000 0.008 0.000 0.036

psi8 -0.854 -1.162 1.062 0.193 0.002 0.000 0.000 0.004 0.054

psi9 -1.473 -1.207 0.670 -0.085 0.000 0.000 0.041 0.042 0.059

 GlnSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.038 0.035 0.003 0.000 0.000 0.000 0.002 0.000 0.046

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.004 0.000 0.000

psi3 0.000 0.000 0.003 0.031 0.000 0.000 0.000 0.003 0.000

psi4 0.000 0.033 0.109 0.183 0.003 0.000 0.023 0.000 0.000

psi5 0.012 -0.062 0.136 0.107 0.000 0.003 0.020 0.007 0.000

psi6 0.003 0.177 0.025 0.003 0.000 -0.421 0.024 0.000 0.000

psi7 -0.382 0.035 0.054 0.000 0.000 0.000 0.000 0.000 0.012

psi8 -0.351 -2.361 -0.622 0.369 0.000 0.000 0.003 0.000 0.073

psi9 -0.784 -0.917 -0.048 -0.379 0.000 0.000 0.004 0.000 0.000

 GlnLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.207 0.267 0.395 0.004 0.000 0.035 0.093 0.032 0.155

psi2 0.017 0.050 0.039 -0.009 0.012 0.029 0.019 0.001 0.002

psi3 0.004 0.286 0.289 0.025 0.000 0.008 -0.093 0.013 0.000

psi4 0.010 0.360 0.774 0.170 0.000 0.000 0.055 0.037 0.012

psi5 0.039 0.188 1.212 0.091 0.000 0.002 0.784 0.181 0.001

psi6 0.193 0.057 0.185 0.011 0.000 -0.345 0.028 0.003 0.000

psi7 0.254 0.709 0.200 0.022 0.008 -0.059 0.121 0.001 0.000

psi8 0.175 1.114 1.042 0.910 0.000 0.016 0.055 0.014 0.015

psi9 0.951 1.198 3.390 0.390 0.000 0.000 0.097 0.423 0.210

 Glnlm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.133 0.506 -0.209 0.014 0.000 0.017 0.254 0.159 0.123

psi2 0.004 0.092 0.182 0.012 0.001 0.095 -0.169 0.013 0.005

psi3 0.026 0.155 0.302 -0.046 0.020 0.026 0.065 0.000 0.012

psi4 0.040 0.056 -1.376 0.617 0.013 0.000 0.244 0.058 -0.271

psi5 -0.419 -0.332 1.157 0.229 0.000 -0.013 1.439 0.179 0.011

psi6 0.093 0.645 0.046 0.001 0.004 -0.626 0.525 0.013 0.004

psi7 0.566 0.452 0.694 0.057 0.013 0.142 0.209 0.015 0.021

psi8 -0.535 2.577 0.330 1.929 0.014 0.008 0.066 0.042 0.044

psi9 -1.901 -2.509 2.920 0.166 0.005 0.019 0.356 0.289 0.292

 Glnle

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.069 0.219 0.132 0.001 0.039 0.041 0.057 0.003 0.028

psi2 0.213 0.042 0.041 0.012 0.002 -0.350 -0.016 0.010 -0.454

psi3 -0.519 0.139 -0.123 -1.865 0.005 -0.372 0.119 0.033 0.002

psi4 0.067 -0.365 -2.270 -0.387 0.011 0.134 0.591 0.194 -0.152

psi5 0.038 -1.522 -1.567 0.287 0.012 0.048 1.214 0.434 0.004

psi6 0.029 -3.760 0.281 0.066 0.007 -1.388 0.209 0.020 0.019

psi7 -0.437 -0.106 -3.317 -0.064 0.052 0.200 0.346 0.008 0.003

psi8 -1.009 -2.895 -3.050 1.192 0.018 0.012 0.054 -0.152 -1.589

psi9 0.476 -2.705 -3.067 0.903 0.000 0.000 0.032 0.186 0.026

 AspHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.526 -0.020 0.089 0.000 0.000 0.005 0.036 0.000 0.000

psi2 0.003 0.002 0.019 0.000 0.000 0.010 0.006 0.000 0.000

psi3 0.005 0.034 0.169 0.697 0.032 0.000 0.000 0.000 0.000

psi4 0.017 0.250 11.567 7.687 0.000 0.000 0.000 0.003 0.000

psi5 0.020 -0.552 -0.128 0.117 0.000 0.000 0.016 0.011 0.000

psi6 0.005 0.048 0.072 0.004 0.000 0.416 0.029 0.000 0.000

psi7 0.035 0.188 -0.157 0.000 0.000 0.001 0.000 0.000 0.000

psi8 -0.038 0.189 -0.102 0.084 0.000 0.000 0.003 0.022 0.000

psi9 -0.105 0.104 0.169 0.052 0.000 0.000 0.012 0.008 0.000

 AspHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.314 -0.067 -0.293 0.000 0.000 0.113 0.069 0.074 0.000

psi2 0.000 0.002 -0.091 0.000 0.000 -0.361 0.026 0.000 0.000

psi3 0.001 0.034 0.174 -0.342 0.004 0.000 0.001 0.000 0.000

psi4 0.000 0.257 4.203 2.683 0.023 0.000 0.001 0.000 0.013

psi5 0.019 -0.310 -1.764 0.856 0.000 0.001 0.341 0.256 0.000

psi6 -0.080 -0.131 0.233 0.000 0.000 -0.062 0.019 0.000 0.000

psi7 -0.560 -0.438 -1.200 0.014 0.000 0.021 0.002 0.000 0.000

psi8 -0.034 -2.039 -3.163 -0.799 0.000 0.000 0.001 0.001 0.000

psi9 -0.572 -0.124 -0.103 0.197 0.000 0.000 0.118 0.015 0.001

 Asphe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.148 -0.011 0.010 0.000 0.000 0.004 0.036 0.000 0.000

psi2 0.000 0.007 0.000 0.000 0.024 0.015 -0.001 0.000 0.000

psi3 0.015 0.019 -1.500 0.431 -0.025 0.002 0.000 0.000 0.002

psi4 0.025 -0.230 -0.289 -0.655 0.052 0.000 0.003 0.000 0.000

psi5 0.034 0.603 -4.345 -0.375 0.000 0.002 0.052 0.012 0.003

psi6 0.028 -0.485 0.426 0.000 0.000 -2.671 -0.002 0.002 0.000

psi7 0.019 -0.284 -0.785 0.000 0.000 0.015 0.000 0.000 0.000

psi8 0.004 -0.172 0.143 0.029 0.000 0.003 0.000 0.000 0.000

psi9 0.056 -0.390 0.426 -0.109 0.000 0.000 0.003 0.000 0.000

 AspSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.532 0.280 -0.519 0.000 0.000 0.000 0.010 0.142 0.188

psi2 0.000 0.011 0.000 0.010 0.000 0.001 0.001 0.004 0.007

psi3 0.000 0.013 -0.036 0.034 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.131 0.253 0.183 0.000 0.000 0.006 0.000 0.000

psi5 0.001 0.128 -0.315 0.024 0.000 0.000 0.070 0.002 0.000

psi6 -0.021 0.014 0.032 0.001 0.000 0.010 0.013 0.000 0.000

psi7 0.022 0.516 0.013 0.000 0.000 0.007 0.000 0.000 0.000

psi8 0.306 6.579 2.778 0.132 0.000 0.000 0.000 0.000 0.001

psi9 3.183 5.845 1.548 0.052 0.000 0.000 0.001 0.016 0.065

 AspSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.568 0.258 -0.077 0.000 0.000 0.000 0.250 0.240 0.468

psi2 0.054 0.018 0.000 0.000 0.000 0.000 0.028 0.000 0.006

psi3 0.000 0.011 0.096 0.024 0.000 0.000 0.000 0.000 0.000

psi4 0.000 0.217 0.524 0.610 0.000 0.000 0.000 0.006 0.000

psi5 0.000 -0.437 -0.292 0.008 0.000 0.000 0.028 0.006 0.000

psi6 0.006 -0.004 -0.431 0.000 0.000 -0.493 0.026 0.000 0.000

psi7 0.070 -0.521 -0.842 0.000 0.000 0.000 0.012 0.000 0.167

psi8 0.405 3.908 1.976 0.613 0.004 0.000 0.000 0.021 -0.333

psi9 1.055 4.541 0.885 0.120 0.000 0.000 0.178 0.161 0.165

 AspSE

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.273 0.418 -0.144 0.000 0.000 0.000 0.002 0.000 0.045

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.006 0.000 0.000

psi3 0.000 0.003 -0.138 0.062 0.000 0.000 0.000 0.005 0.000

psi4 0.000 0.064 -0.248 0.150 0.006 0.000 0.018 0.000 0.000

psi5 0.024 -0.156 -0.126 0.056 0.000 0.002 0.030 0.011 0.000

psi6 0.003 -0.078 0.006 0.006 0.000 0.041 -0.347 0.000 0.000

psi7 0.036 0.231 0.075 0.000 -0.018 0.000 0.000 0.000 0.045

psi8 0.645 0.627 -0.140 0.208 0.000 0.000 0.006 0.000 0.024

psi9 0.228 0.289 0.776 -0.317 0.000 0.000 0.045 0.000 0.001

 AspLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.373 0.474 -0.307 0.009 0.000 0.022 0.146 0.035 0.028

psi2 0.015 -0.002 0.004 0.001 0.024 0.167 0.033 0.002 0.004

psi3 0.008 -0.210 0.143 0.037 0.000 0.012 0.004 0.025 0.000

psi4 0.014 0.355 1.026 0.268 0.000 0.001 0.069 0.051 0.015

psi5 0.056 0.734 1.075 0.050 0.000 0.002 0.834 0.150 0.001

psi6 0.069 0.044 0.110 0.011 0.000 0.306 0.552 0.004 0.009

psi7 -0.215 0.508 -2.282 0.022 0.012 0.020 0.067 0.002 0.000

psi8 0.733 2.757 2.256 0.455 0.000 0.028 0.021 0.034 0.028

psi9 1.293 2.848 3.446 0.654 0.000 0.000 0.441 0.056 0.279

 AspLM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.997 0.003 -2.002 -0.013 0.000 0.165 0.598 0.319 0.462

psi2 0.012 0.100 -0.013 0.002 0.001 -0.005 0.175 -0.377 0.007

psi3 -0.008 0.094 0.059 0.059 0.052 -0.164 0.031 0.000 0.024

psi4 0.055 0.947 -0.532 1.289 0.013 0.050 0.435 0.195 0.027

psi5 -0.430 -2.970 -2.127 0.228 0.000 0.023 0.752 0.246 0.011

psi6 0.013 -0.891 0.787 0.001 0.004 -0.788 -1.003 0.060 0.005

psi7 -1.730 -2.223 -1.309 -0.138 -0.175 -0.131 -0.123 0.036 0.148

psi8 -1.445 -1.864 -5.106 0.290 0.015 0.012 0.227 0.183 -0.347

psi9 1.783 1.392 2.164 -0.608 0.007 -0.483 0.335 0.308 -0.045

 Asple

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.332 -0.419 -1.375 0.001 0.031 0.179 0.074 0.102 -0.104

psi2 0.056 0.091 0.177 0.012 0.005 -0.080 0.141 -0.184 0.051

psi3 -0.244 -0.119 -0.723 -0.015 0.008 0.016 0.115 0.078 0.024

psi4 0.023 -0.467 -3.680 0.159 -0.061 -0.477 -0.817 0.262 0.103

psi5 -0.380 -3.380 -8.205 0.130 0.014 0.340 -0.020 0.841 0.008

psi6 -0.361 -3.725 -1.604 0.178 -0.740 -4.643 0.004 -0.029 0.048

psi7 0.270 -1.619 -3.781 -1.926 -0.154 -1.006 -0.466 0.014 0.003

psi8 0.162 -1.084 -0.885 -2.312 0.031 0.020 0.098 0.002 0.082

psi9 -0.263 2.353 -2.638 -0.208 0.000 0.000 0.038 0.039 0.000

 LysHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.014 0.003 0.003 0.000 0.000 0.004 0.029 0.000 0.000

psi2 0.003 0.002 0.017 0.000 0.000 0.010 0.005 0.000 0.000

psi3 0.004 0.037 0.242 0.208 0.047 0.000 0.000 0.000 0.000

psi4 0.016 0.333 17.454 9.079 0.000 0.000 0.000 0.002 0.000

psi5 0.023 0.474 3.585 0.200 0.000 0.000 0.010 0.014 0.000

psi6 0.006 0.295 -0.052 0.006 0.000 0.080 0.023 0.000 0.000

psi7 0.028 0.062 0.098 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.027 0.109 0.271 0.082 0.000 0.000 0.003 0.013 0.000

psi9 0.128 0.118 0.299 0.017 0.000 0.000 0.006 0.007 0.000

 LysHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.044 0.028 0.156 0.000 0.000 0.003 0.043 0.012 0.000

psi2 0.000 0.125 0.004 0.000 0.000 0.119 0.024 0.000 0.000

psi3 0.001 0.401 0.796 2.159 0.005 0.000 0.001 0.000 0.000

psi4 0.000 0.253 -0.608 3.189 -1.919 0.000 0.001 0.000 0.014

psi5 0.030 1.866 3.436 1.103 0.000 0.001 -0.334 0.361 0.000

psi6 0.022 0.141 -0.746 0.000 0.000 0.250 -0.112 0.000 0.000

psi7 0.098 0.169 0.268 0.010 0.000 -0.041 0.004 0.000 0.000

psi8 0.229 0.442 0.542 0.151 0.000 0.000 0.001 0.001 0.000

psi9 0.823 0.917 0.440 0.130 0.000 0.000 0.129 0.022 0.001

 Lyshe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.002 0.010 0.000 0.000 0.002 0.004 0.000 0.000

psi2 0.000 0.006 0.000 0.000 0.047 0.065 0.011 0.000 0.000

psi3 0.018 0.027 -0.561 -0.631 -1.486 0.034 0.000 0.000 0.003

psi4 0.066 0.557 -10.399 -7.700 0.094 0.000 0.002 0.000 0.000

psi5 -0.041 -0.294 -9.239 -3.049 0.000 0.003 -0.291 0.197 0.003

psi6 0.025 -0.416 0.105 0.000 0.000 0.275 0.181 0.003 0.000

psi7 0.026 -0.014 0.077 0.009 0.000 -0.002 0.000 0.000 0.000

psi8 -0.154 -0.278 -0.422 -0.016 0.000 0.003 0.000 0.000 0.000

psi9 0.007 -0.045 -0.313 0.068 0.000 0.000 0.003 0.000 0.000

 LysSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.229 0.089 0.041 0.000 0.000 0.000 0.010 0.028 0.332

psi2 0.000 0.010 0.000 0.009 0.000 0.001 0.001 0.003 0.010

psi3 0.000 0.019 0.005 0.028 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.073 0.317 0.186 0.000 0.000 0.004 0.000 0.000

psi5 0.000 0.195 0.044 0.023 0.000 0.000 0.024 0.002 0.000

psi6 0.024 0.012 0.013 0.000 0.000 0.073 0.001 0.000 0.000

psi7 0.029 0.452 0.326 0.000 0.000 0.002 0.000 0.000 0.000

psi8 1.097 8.759 4.502 -0.125 0.000 0.000 0.000 0.000 0.001

psi9 3.932 6.170 2.344 0.224 0.000 0.000 0.000 0.014 0.055

 LysSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.987 0.415 0.182 0.000 0.000 0.000 0.066 0.155 0.414

psi2 0.047 0.055 0.000 0.000 0.000 0.000 0.027 0.000 0.006

psi3 0.000 0.010 0.001 -0.297 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -1.296 -0.160 0.352 0.000 0.000 0.000 0.004 0.000

psi5 0.000 -0.244 -0.173 0.005 0.000 0.000 0.162 0.005 0.000

psi6 -0.180 0.041 0.023 0.000 0.000 0.210 0.208 0.000 0.000

psi7 0.083 0.041 0.215 0.000 0.000 0.023 0.167 0.000 0.161

psi8 -2.228 0.065 -0.139 0.360 0.004 0.000 0.000 0.044 0.171

psi9 0.491 -1.360 0.014 -0.155 0.000 0.000 0.037 0.229 0.105

 Lysse

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.125 -0.352 0.004 0.000 0.000 0.000 0.003 0.000 0.005

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.005 0.000 0.000

psi3 0.000 0.001 0.064 -0.125 0.000 0.000 0.000 0.004 0.000

psi4 0.000 0.482 -0.468 0.032 0.004 0.000 0.021 0.000 0.000

psi5 0.044 0.044 -0.066 0.004 0.000 0.003 0.043 0.008 0.000

psi6 0.003 0.034 0.044 0.004 0.000 -0.118 0.045 0.000 0.000

psi7 -0.411 -0.613 -0.535 0.000 0.000 0.000 0.000 0.000 0.069

psi8 -1.182 -5.170 -3.870 -0.471 0.000 0.000 0.005 0.000 0.023

psi9 -1.883 -3.611 -2.161 -0.205 0.000 0.000 0.004 0.000 0.000

 Lyslb

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.367 0.199 0.298 0.010 0.000 0.020 0.333 0.024 0.108

psi2 0.010 0.046 0.053 0.001 0.030 0.100 0.028 0.002 0.002

psi3 0.004 0.097 0.212 0.032 0.000 0.019 0.004 0.081 0.000

psi4 0.013 0.514 2.330 0.588 0.000 0.000 0.037 0.097 0.009

psi5 0.059 1.265 2.151 0.085 0.000 0.002 0.718 0.245 0.001

psi6 0.188 0.583 0.588 0.009 0.000 0.291 0.263 0.003 0.000

psi7 0.141 0.763 1.272 0.019 0.019 0.115 0.037 0.007 0.000

psi8 0.787 2.087 4.883 1.049 0.000 0.033 0.023 0.087 0.026

psi9 1.547 1.702 5.824 0.645 0.000 0.000 0.114 0.125 0.204

 Lyslm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 1.032 0.351 -0.027 0.025 0.000 0.018 0.432 0.191 0.206

psi2 0.007 -0.008 0.105 0.006 0.001 0.016 0.437 0.009 0.003

psi3 0.162 0.303 -1.889 0.009 0.075 0.126 0.052 0.000 0.056

psi4 0.066 1.332 1.955 -0.749 -0.033 0.000 -0.302 -0.256 0.022

psi5 0.494 1.759 2.852 -2.226 0.000 0.158 2.931 0.375 0.010

psi6 0.376 1.599 -0.009 0.001 0.013 -0.875 0.646 -0.015 0.004

psi7 0.588 0.619 -0.323 0.159 0.030 -0.400 -0.235 0.013 0.046

psi8 -0.013 1.465 2.326 0.317 0.013 0.020 0.118 0.041 0.084

psi9 -1.176 0.939 6.416 0.476 0.003 0.028 0.459 0.417 0.191

 Lysle

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.102 0.029 -1.407 0.001 0.047 0.243 0.451 0.008 0.037

psi2 0.078 -0.905 -0.028 0.011 0.006 0.019 1.523 0.097 -0.100

psi3 0.337 -0.199 -0.616 -0.350 -1.226 0.014 0.106 0.033 0.004

psi4 -0.834 -2.040 -8.625 -4.670 0.095 0.073 0.294 0.128 -0.073

psi5 -0.305 -2.720 -4.669 -0.049 0.007 -0.060 2.896 0.298 -0.088

psi6 -0.494 -2.335 -4.710 0.144 -0.032 -3.779 -3.945 0.302 0.035

psi7 -0.790 -1.552 -1.841 0.027 -2.051 -0.336 -0.419 0.016 0.006

psi8 -0.730 -2.252 -4.902 -3.614 0.018 -0.113 0.090 -0.136 0.104

psi9 -2.955 -5.941 -5.961 -2.661 0.000 0.000 0.050 0.212 -0.183

 GluHB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.015 0.004 0.004 0.000 0.000 0.004 0.026 0.000 0.000

psi2 0.010 0.001 0.021 0.000 0.000 0.010 0.003 0.000 0.000

psi3 0.002 0.045 0.377 -0.689 0.040 0.000 0.000 0.000 0.000

psi4 0.019 0.277 8.101 7.925 0.000 0.000 0.000 0.002 0.000

psi5 0.027 0.140 2.729 -0.544 0.000 0.000 0.011 0.017 0.000

psi6 -0.089 0.242 0.128 0.007 0.000 0.017 0.021 0.000 0.000

psi7 0.108 0.035 0.012 0.000 0.000 0.001 0.000 0.000 0.000

psi8 0.127 0.126 0.381 0.076 0.000 0.000 0.004 0.013 0.000

psi9 0.003 0.030 0.424 0.019 0.000 0.000 0.008 0.009 0.000

 GluHM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.017 0.030 0.160 0.000 0.000 0.004 0.085 0.048 0.000

psi2 0.000 0.001 0.175 0.000 0.000 0.025 0.017 0.000 0.000

psi3 0.001 0.029 -4.444 1.277 0.005 0.000 0.001 0.000 0.000

psi4 0.000 0.787 -6.019 -2.927 -0.084 0.000 0.001 0.000 -0.171

psi5 0.004 -0.164 -2.850 1.284 0.000 0.186 0.189 0.636 0.118

psi6 0.016 0.488 -0.228 0.000 0.000 0.132 0.135 0.000 0.000

psi7 -0.350 0.265 0.141 0.016 0.000 0.024 0.320 0.000 0.000

psi8 -0.051 0.167 0.011 -0.212 0.000 0.000 0.001 0.001 0.000

psi9 0.221 -0.855 -1.164 0.133 0.000 0.000 0.079 0.023 0.162

 Gluhe

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.000 0.033 0.007 0.000 0.000 0.002 0.005 0.000 0.000

psi2 0.050 0.011 0.000 0.000 0.024 0.034 0.011 0.000 0.000

psi3 0.019 -0.224 -2.947 -0.096 0.239 0.004 0.001 0.000 0.004

psi4 -1.879 -1.330 -11.395 -6.921 0.032 0.000 0.002 0.000 0.000

psi5 0.014 0.610 -2.771 -1.133 0.000 0.003 0.081 0.011 0.005

psi6 0.072 -0.605 0.015 0.000 0.000 -0.006 0.422 0.004 0.000

psi7 0.023 0.172 0.124 0.000 0.000 0.020 0.000 0.000 0.000

psi8 0.002 -0.384 0.353 -0.276 0.000 0.005 0.000 0.000 0.000

psi9 0.009 -0.003 -0.049 -0.285 0.000 0.000 0.004 0.000 0.000

 GluSB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.393 0.252 0.209 0.000 0.000 0.000 0.012 0.056 0.395

psi2 0.000 0.013 0.000 0.012 0.000 0.001 0.025 0.003 0.008

psi3 0.000 0.020 0.059 0.051 0.000 0.000 0.001 0.000 0.000

psi4 0.000 0.113 0.276 0.720 0.000 0.000 0.017 0.000 0.000

psi5 0.001 0.149 0.137 0.025 0.000 0.000 0.025 0.001 0.000

psi6 0.087 0.015 0.026 0.001 0.000 -0.011 0.001 0.000 0.000

psi7 0.030 0.318 0.589 0.000 0.000 0.003 0.000 0.000 0.000

psi8 0.357 7.712 2.568 0.165 0.000 0.000 0.000 0.000 0.001

psi9 2.818 3.583 1.777 0.057 0.000 0.000 0.001 0.030 0.167

 GluSM

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.488 -0.404 0.156 0.000 0.000 0.000 0.054 0.141 0.431

psi2 0.049 0.109 0.000 0.000 0.000 0.000 0.027 0.000 0.011

psi3 0.000 0.020 0.043 -0.117 0.000 0.000 0.000 0.000 0.000

psi4 0.000 -0.289 -0.463 -0.650 0.000 0.000 0.000 0.017 0.000

psi5 0.000 0.392 0.031 0.083 0.000 0.000 0.073 0.017 0.000

psi6 0.017 0.135 0.025 0.000 0.000 0.039 0.084 0.000 0.000

psi7 0.105 0.481 0.333 0.000 0.000 0.000 0.019 0.000 0.096

psi8 -0.640 -2.653 -0.432 0.055 0.004 0.000 0.000 0.017 0.185

psi9 -0.302 -1.003 0.635 0.050 0.000 0.000 0.048 0.078 0.234

 Gluse

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.070 0.113 0.004 0.000 0.000 0.000 0.003 0.000 0.194

psi2 0.000 0.000 0.000 0.000 0.000 0.000 0.018 0.000 0.000

psi3 0.000 0.005 0.017 0.123 0.000 0.000 0.000 0.017 0.000

psi4 0.000 -0.237 -1.070 -0.042 0.032 0.000 0.022 0.000 0.000

psi5 0.024 -0.246 -0.041 0.082 0.000 0.004 0.058 0.033 0.000

psi6 -0.040 -0.059 0.071 0.017 0.000 -0.323 0.064 0.000 0.000

psi7 0.091 0.341 0.088 0.000 0.000 0.000 0.000 0.000 0.086

psi8 -0.199 -3.401 -1.870 0.000 0.000 0.000 0.017 0.000 0.045

psi9 -1.017 -0.763 -1.821 -0.031 0.000 0.000 0.017 0.000 0.001

 GluLB

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 0.378 0.271 0.496 0.011 0.000 0.047 0.165 0.032 0.023

psi2 0.013 0.149 0.155 0.001 0.024 0.032 0.034 0.019 0.003

psi3 0.005 0.116 0.159 0.036 0.000 0.019 0.005 0.025 0.000

psi4 0.013 0.258 1.395 0.715 0.000 0.001 0.195 0.051 0.027

psi5 0.151 1.709 2.063 -0.159 0.000 0.003 0.478 0.195 0.001

psi6 0.176 0.405 0.278 0.013 0.000 0.391 0.813 0.004 0.000

psi7 0.306 0.782 1.077 0.026 0.021 0.042 0.007 0.002 0.000

psi8 -0.200 0.219 3.846 0.784 0.000 0.035 0.127 0.101 0.027

psi9 2.348 2.434 3.475 1.084 0.000 0.000 0.233 0.225 0.452

 Glulm

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 1.005 0.556 0.996 0.077 0.000 0.069 0.511 0.171 0.534

psi2 -0.089 0.102 0.207 0.019 0.001 0.143 0.106 0.014 0.064

psi3 0.101 -0.026 -0.037 -0.425 0.029 0.035 -0.031 0.000 0.024

psi4 0.045 1.203 0.506 1.330 0.016 0.000 0.114 0.112 0.027

psi5 -0.008 1.506 0.440 -0.009 0.000 -0.001 1.793 0.288 -0.191

psi6 -0.083 -0.266 0.537 0.078 -0.128 0.319 0.165 0.031 0.004

psi7 0.345 -0.073 1.726 0.276 -0.272 -0.109 -0.201 0.028 -0.049

psi8 0.328 1.547 2.077 0.378 0.017 0.019 0.793 0.036 0.147

psi9 1.653 -1.371 1.845 0.361 -0.131 0.031 0.331 0.701 -0.135

 Glule

       phi1 phi2 phi3 phi4 phi5 phi6 phi7 phi8 phi9

psi1 -0.029 -0.287 -0.618 0.001 0.039 0.224 -0.094 0.006 0.035

psi2 0.004 0.036 -0.665 0.015 0.005 -0.125 0.666 0.021 0.038

psi3 -0.752 -0.529 -0.191 -0.316 0.016 0.019 0.128 -0.022 0.005

psi4 0.071 -0.253 -6.457 -3.005 0.033 0.086 0.146 0.439 0.030

psi5 -0.189 -0.973 -3.949 0.139 0.154 0.275 1.576 0.238 0.009

psi6 -0.660 -1.168 -0.709 -0.055 0.011 -0.303 -0.629 0.034 0.016

psi7 -0.153 -0.632 0.615 -0.207 0.074 0.602 0.278 0.020 -0.043

psi8 -0.012 -1.948 -5.899 -1.041 -0.273 0.064 -0.532 0.001 0.097

psi9 -1.697 -4.367 -2.902 -0.764 0.000 0.000 0.035 0.053 0.049

 16,290 pairwise-contact energy parameters

 Cys-cys

        HB HM HE SB SM SE LB LM LE

HB -3.934 -1.711 0.072 -4.660 -0.711 0.000 -6.958 -4.803 -0.394

HM -4.095 -1.393 0.046 -0.657 0.003 -1.081 -3.652 -0.146

HE 0.131 0.008 0.018 0.000 0.021 0.084 0.051

SB -4.482 -4.498 0.253 -4.919 -3.919 0.335

SM 0.324 0.185 -2.817 -2.301 -0.301

SE 0.011 0.008 0.026 0.021

LB -5.587 -5.914 -0.497

LM -7.041 -0.841

LE 0.097

 Cys-phe

        HB HM HE SB SM SE LB LM LE

HB -6.161 -1.828 -0.548 -1.856 0.018 0.000 -0.201 -0.328 0.040

HM 1.647 -1.485 0.053 0.035 -0.120 0.003 -0.057 0.170 0.114

HE 0.097 0.567 -0.765 0.005 0.010 0.000 0.013 0.049 0.036

SB 0.186 0.095 0.005 -1.481 -2.167 0.196 -1.534 -0.847 0.061

SM 0.018 0.034 0.010 0.404 -1.668 0.177 0.081 -0.206 0.224

SE 0.000 0.004 0.000 0.135 0.100 0.076 0.006 0.017 0.010

LB -0.803 0.186 0.013 -1.080 -0.073 0.008 -1.359 -1.429 0.204

LM -1.850 0.190 0.048 0.369 0.089 0.017 0.553 -0.863 0.561

LE 0.039 0.129 0.034 0.137 0.330 0.010 -0.399 0.542 0.273

 Cys-leu

        HB HM HE SB SM SE LB LM LE

HB -4.352 -2.512 0.326 -0.298 0.031 0.001 -0.868 -1.841 -0.576

HM 0.025 1.391 -1.533 0.007 -0.318 0.004 0.607 0.312 0.097

HE 0.201 1.804 -0.006 0.077 0.068 0.001 0.034 0.114 0.187

SB -0.447 0.007 0.010 -3.951 -1.014 0.398 -1.625 -0.653 0.144

SM 0.135 0.055 0.018 1.240 -2.018 0.108 0.227 0.432 0.137

SE 0.001 0.004 0.001 0.111 -0.127 0.032 0.008 0.029 0.018

LB -2.004 -1.004 -0.040 -0.874 -1.595 -0.055 -1.434 -0.922 -0.540

LM 0.662 2.070 0.726 -0.659 -0.050 0.029 0.315 0.116 0.599

LE 0.468 0.210 -0.481 0.159 0.223 0.018 0.177 0.203 0.188

 Cys-trp

        HB HM HE SB SM SE LB LM LE

HB 0.446 -1.741 0.023 -0.348 0.003 0.000 -1.716 -0.358 0.015

HM -0.106 0.461 0.204 0.017 -0.157 0.001 -0.657 0.074 -0.218

HE 0.392 0.547 0.185 0.001 0.172 0.000 0.005 0.015 0.009

SB 0.026 0.017 0.001 -2.401 -2.358 0.051 0.096 -0.594 0.033

SM 0.008 0.015 0.003 -0.445 0.193 0.047 0.038 0.075 0.031

SE 0.000 0.001 0.000 0.034 0.047 0.008 0.002 0.011 0.005

LB -0.731 0.038 -0.007 -0.252 0.207 0.002 -0.677 -0.559 0.070

LM 0.391 0.075 0.015 -0.368 0.253 0.010 0.189 -0.387 0.089

LE 0.016 0.032 0.008 -0.219 0.031 0.005 0.031 0.326 0.042

 Cys-val

        HB HM HE SB SM SE LB LM LE

HB 1.629 -1.991 -0.432 -0.062 -0.357 0.001 -0.805 -0.134 0.056

HM -1.567 0.998 0.462 -0.065 -1.238 0.004 0.210 0.465 0.260

HE 0.078 0.430 0.823 0.178 0.080 0.003 0.018 0.071 0.049

SB -0.155 -0.195 0.009 -1.293 -1.174 0.066 -0.564 -0.034 0.138

SM -0.004 -0.328 0.013 -0.545 0.196 0.241 0.487 0.229 0.165

SE 0.001 0.004 0.000 -0.059 0.331 0.066 0.009 0.028 0.015

LB -0.655 0.127 0.018 0.008 0.123 0.009 -1.643 0.234 -0.179

LM -0.080 -0.056 0.071 0.859 -0.651 -0.067 -0.236 0.201 0.595

LE 0.371 0.322 0.047 0.104 0.150 0.015 0.145 0.673 0.158

 Cys-ile

        HB HM HE SB SM SE LB LM LE

HB -3.138 -2.046 0.110 0.298 -0.021 0.001 -0.763 0.121 0.216

HM 2.267 -0.279 -1.399 0.032 0.041 0.003 0.055 0.001 -1.238

HE 0.232 1.438 -0.617 0.006 0.010 0.000 0.013 0.067 0.051

SB -0.539 0.035 0.006 -1.301 -1.057 0.010 -0.895 0.487 0.093

SM 0.016 0.046 0.010 0.389 -1.780 -0.033 0.130 -0.248 0.063

SE 0.001 0.003 0.000 0.108 0.381 0.024 0.005 0.046 0.011

LB -2.091 -0.075 0.014 0.214 0.240 0.005 -3.049 0.151 -0.268

LM -0.147 0.183 -0.104 -0.191 -0.016 0.019 0.434 1.014 -0.127

LE 0.303 0.174 0.108 0.062 0.096 0.011 0.124 0.253 0.136

 Cys-met

        HB HM HE SB SM SE LB LM LE

HB -0.939 0.595 -0.661 -0.194 -2.025 0.000 -1.665 -0.446 -0.507

HM 0.710 0.643 0.285 0.118 0.035 0.001 0.053 0.086 0.191

HE 0.140 0.658 0.096 0.002 0.005 0.000 0.005 0.027 0.016

SB 0.026 -0.389 0.002 -0.439 -2.077 -0.314 -0.367 0.003 -0.100

SM 0.009 0.013 0.005 0.224 0.287 0.120 0.034 0.092 0.035

SE 0.000 0.001 0.000 0.031 0.050 0.006 0.002 0.008 0.005

LB -0.113 0.204 0.005 0.029 0.034 0.002 0.279 -0.185 -0.516

LM -1.058 -0.861 0.027 0.139 0.095 0.007 -0.287 -1.726 0.207

LE -0.066 0.162 0.015 0.026 0.035 0.005 0.043 0.304 0.049

 Cys-his

        HB HM HE SB SM SE LB LM LE

HB -1.370 -1.404 -0.357 -0.326 0.013 0.000 0.023 -0.176 0.178

HM -0.293 -2.626 -0.332 0.030 0.034 0.003 -0.525 -1.104 -0.146

HE -0.089 0.223 0.579 0.005 0.012 0.000 0.012 -1.875 0.041

SB 0.044 -0.091 0.005 -0.339 -0.380 -0.818 -0.020 -0.635 0.121

SM 0.013 0.160 0.012 0.737 0.066 0.094 0.068 0.441 0.206

SE 0.000 0.003 0.000 0.083 0.096 0.017 0.004 0.012 0.008

LB -0.658 -0.172 -0.514 0.276 -0.304 0.004 -0.453 -1.362 0.162

LM 0.442 0.112 0.057 0.025 0.058 0.012 0.472 -0.575 0.114

LE 0.033 0.139 -0.507 0.047 0.182 0.008 0.093 0.145 0.107

 Cys-tyr

        HB HM HE SB SM SE LB LM LE

HB -1.123 -0.425 -0.433 -3.066 -0.417 0.000 -1.101 -0.183 0.035

HM 0.740 -0.533 1.304 0.033 0.050 0.002 0.791 0.291 0.140

HE 0.060 1.024 0.268 0.004 0.008 0.000 0.011 0.041 0.025

SB 0.150 -0.113 0.004 -0.299 -4.407 -0.391 -0.054 -0.311 -0.001

SM 0.014 0.034 0.007 0.537 -1.417 0.047 0.219 -0.660 0.078

SE 0.000 0.097 0.000 0.099 0.228 0.017 0.035 0.017 0.010

LB 0.204 -0.630 -0.208 0.408 -1.345 0.005 -1.215 -1.021 -1.079

LM 0.006 0.135 -0.345 -0.068 -1.398 0.026 0.533 -0.141 0.178

LE 0.079 0.410 -0.417 0.066 -0.382 0.010 0.097 0.406 0.172

 Cys-ala

        HB HM HE SB SM SE LB LM LE

HB -3.561 0.366 -0.235 -0.216 -0.407 0.001 -1.227 -0.828 -0.063

HM -0.130 0.772 0.924 0.242 0.060 0.047 0.765 -0.317 0.164

HE 0.117 0.524 0.892 0.006 0.013 0.000 0.018 0.088 -0.001

SB -0.661 -0.355 0.004 0.151 0.099 0.000 -0.190 -1.106 -0.214

SM 0.033 -0.544 0.013 -2.123 0.880 0.163 -0.542 0.996 -0.165

SE -0.170 -0.025 0.000 0.303 0.183 0.033 0.006 0.050 0.015

LB -0.142 -1.485 0.259 -0.238 0.274 0.006 -2.074 0.049 -0.538

LM 0.387 -0.240 0.218 -0.083 0.417 0.020 -0.083 -1.396 0.716

LE 0.193 -0.042 0.062 0.339 0.235 0.010 0.213 0.472 -0.236

 Cys-gly

        HB HM HE SB SM SE LB LM LE

HB -1.569 0.126 0.230 -0.385 0.027 0.001 -0.314 -0.854 -0.135

HM -0.061 -0.282 0.469 0.017 0.058 0.005 -0.367 -0.027 -0.543

HE 0.102 0.707 0.810 0.006 0.011 0.000 0.022 0.090 0.052

SB 0.016 -0.107 0.006 1.007 -0.537 -0.003 -0.203 -1.934 0.265

SM 0.079 0.058 0.011 0.815 0.635 0.288 -0.125 -0.327 -0.015

SE 0.001 0.005 0.000 0.141 0.225 0.038 0.009 0.027 -0.453

LB -0.008 0.158 -0.146 0.109 0.025 0.008 -1.706 -1.721 -0.012

LM 0.561 0.517 0.089 0.119 0.500 0.127 -0.459 -1.183 -0.308

LE 0.076 0.459 0.060 -0.199 0.170 0.019 0.100 0.606 -0.036

 Cys-pro

        HB HM HE SB SM SE LB LM LE

HB -1.048 -0.024 0.507 -0.608 0.238 0.001 -0.033 -0.695 -0.420

HM -0.083 1.093 -1.598 -0.336 0.037 0.003 -0.047 -0.587 0.129

HE 0.175 1.020 0.204 0.006 0.011 0.000 0.015 0.075 0.073

SB 0.381 0.037 -0.134 0.033 1.143 -0.405 -0.217 -0.201 0.075

SM 0.019 0.034 0.012 0.285 0.439 0.246 0.673 -0.260 -0.036

SE 0.000 0.003 0.000 0.184 0.158 0.039 0.006 0.023 0.015

LB 0.411 -0.676 0.015 0.141 0.004 0.006 -0.642 -1.450 0.127

LM 0.567 -0.094 0.067 0.386 0.717 0.024 0.267 0.501 -0.032

LE 0.048 0.132 0.045 0.079 0.177 0.015 0.227 0.918 -0.154

 Cys-asn

        HB HM HE SB SM SE LB LM LE

HB 1.834 0.626 -0.439 0.079 -0.493 0.001 -0.439 -2.866 0.164

HM 1.295 0.454 0.261 0.049 0.049 0.004 0.166 0.539 0.235

HE 0.074 0.638 0.547 0.007 0.014 0.000 0.020 0.063 0.041

SB 0.081 0.100 0.007 0.069 -1.302 -1.082 -1.736 -0.528 -1.511

SM 0.091 0.049 0.014 1.011 0.179 0.239 0.119 -0.477 -0.185

SE 0.001 0.004 0.000 0.189 0.182 0.127 0.008 0.024 0.018

LB 0.405 0.005 -0.520 0.439 0.064 0.008 -0.620 -4.240 -0.160

LM -0.443 0.303 0.062 0.458 -0.083 0.024 0.269 -0.218 0.303

LE 0.295 0.238 0.288 0.088 -0.214 0.018 0.192 0.710 -0.626

 Cys-thr

        HB HM HE SB SM SE LB LM LE

HB 0.774 -0.473 0.402 -0.451 -0.275 0.001 0.562 -0.568 -0.359

HM 0.610 1.815 -0.319 0.067 0.048 0.004 -0.026 0.190 0.052

HE 0.087 1.237 -0.462 0.006 0.013 0.001 0.018 0.093 0.076

SB -0.487 0.041 0.006 -0.907 -3.571 0.060 0.140 -1.771 -1.044

SM 0.024 0.045 0.013 0.899 -0.185 0.371 0.154 -0.869 0.123

SE 0.001 0.099 0.001 -0.284 0.185 0.284 0.007 0.023 0.014

LB -0.550 -0.547 0.018 -0.329 -0.228 0.125 -1.116 -0.364 -0.305

LM 0.079 0.661 0.093 0.345 -0.381 0.024 -0.578 0.099 -0.127

LE 0.087 -0.489 0.061 0.096 0.198 0.015 -0.146 -0.103 0.393

 Cys-ser

        HB HM HE SB SM SE LB LM LE

HB 0.505 -0.399 0.241 0.155 -0.064 0.001 0.151 -0.415 -0.875

HM -0.400 0.614 1.012 0.065 0.081 0.003 -0.429 -0.911 -0.151

HE 0.519 0.724 0.981 0.011 0.023 0.000 0.025 0.090 0.183

SB -0.148 0.065 0.011 -0.943 0.057 0.113 -0.186 -0.507 -0.049

SM 0.032 0.064 -0.153 1.431 0.346 0.191 0.418 -1.744 0.034

SE 0.001 0.003 0.000 0.524 0.445 0.188 -0.161 0.082 0.019

LB -0.374 -0.266 -0.082 -0.592 -0.478 0.011 -0.775 -1.590 -1.763

LM -0.303 -0.254 -0.246 -1.359 0.257 0.028 -0.637 -1.713 -0.815

LE 0.421 0.287 0.069 -0.211 0.171 0.019 0.248 0.629 -0.017

 Cys-arg

        HB HM HE SB SM SE LB LM LE

HB -0.691 -1.898 0.529 0.066 -0.309 0.001 0.464 -0.129 -1.677

HM 0.823 -0.957 -1.334 0.041 0.038 0.005 0.125 0.777 -0.120

HE 0.109 1.805 0.972 0.004 0.010 0.002 0.015 0.065 0.049

SB 0.284 0.155 -0.457 1.191 -1.165 0.189 0.084 -0.302 -0.247

SM 0.020 0.084 0.010 1.255 -0.477 -0.030 0.102 0.066 0.104

SE 0.001 0.003 0.000 0.086 0.118 0.024 0.008 0.022 0.016

LB -0.784 -1.997 0.015 -0.040 -0.371 -0.056 0.611 -1.213 -3.603

LM -0.740 1.489 0.066 0.427 -0.314 0.037 0.692 0.608 -0.171

LE 0.054 0.393 0.298 0.080 0.458 0.016 0.213 0.563 0.182

 Cys-gln

        HB HM HE SB SM SE LB LM LE

HB 0.813 -1.351 -0.252 0.098 -0.730 0.218 0.134 -0.051 0.036

HM 0.283 1.478 0.699 0.030 0.023 0.002 0.309 -0.058 0.121

HE 0.134 1.330 0.766 0.174 0.009 0.000 0.013 0.044 0.032

SB -0.025 -0.216 0.005 -0.619 -1.855 -0.391 -0.251 -0.161 0.046

SM 0.017 0.010 0.009 0.505 0.455 -0.165 -0.004 0.128 0.222

SE 0.001 0.002 0.000 0.064 0.226 0.019 0.006 0.017 0.011

LB 0.253 0.003 0.372 -0.050 0.266 0.006 -0.605 -0.436 -0.613

LM 0.247 0.055 0.044 0.131 -0.161 -0.037 0.159 0.125 -0.228

LE 0.042 0.577 0.036 0.215 0.075 0.011 0.351 0.447 0.098

 Cys-asp

        HB HM HE SB SM SE LB LM LE

HB -0.148 -1.686 -0.371 0.041 0.020 0.001 0.204 -0.735 0.015

HM -0.092 2.558 0.035 0.041 0.162 0.003 0.116 0.406 -0.007

HE 0.086 0.800 0.065 0.005 0.011 0.000 0.024 0.106 0.049

SB 0.072 0.043 0.005 0.329 -0.585 -0.182 0.176 -0.323 -1.904

SM 0.021 0.044 0.011 0.430 1.011 0.104 0.358 0.538 0.275

SE 0.001 0.003 0.000 0.082 0.148 0.023 0.259 0.020 0.012

LB -0.726 -0.103 -0.122 -0.516 -0.202 -0.097 -0.075 -3.544 -0.972

LM 0.465 0.166 0.078 0.629 0.287 0.022 0.435 -0.048 0.503

LE 0.058 0.438 0.050 0.092 0.095 0.012 0.134 0.732 0.149

 Cys-lys

        HB HM HE SB SM SE LB LM LE

HB 1.604 0.018 -1.664 0.199 0.136 -0.066 0.386 -0.867 -0.928

HM 1.596 1.906 1.217 0.048 0.070 0.006 0.186 -0.438 -1.873

HE 0.095 0.214 1.946 0.058 0.025 0.000 0.018 0.102 0.099

SB 0.072 -0.029 0.008 0.668 -2.607 -1.436 0.371 -1.625 0.012

SM 0.021 0.060 0.014 0.590 0.513 0.045 0.151 0.023 0.024

SE 0.001 0.006 0.000 0.094 0.265 0.029 0.008 0.027 0.017

LB 0.373 -0.156 -0.180 0.412 -0.902 -0.195 0.773 0.030 -3.312

LM -0.654 -0.038 0.087 0.417 0.625 0.028 0.842 2.238 -0.644

LE 0.068 0.855 0.399 0.143 0.401 0.017 0.187 0.761 0.444

 Cys-glu

        HB HM HE SB SM SE LB LM LE

HB 0.451 -0.522 0.150 0.216 0.018 0.001 0.532 -0.194 -0.567

HM -0.054 0.360 0.082 0.042 0.042 0.004 0.115 0.232 -3.317

HE 0.094 1.385 0.953 0.008 0.014 0.001 0.018 0.170 0.434

SB 0.109 0.014 0.008 1.052 -1.506 -1.348 0.191 -0.480 0.010

SM 0.019 -0.128 0.259 1.186 0.483 0.021 0.146 -1.104 0.438

SE 0.001 0.004 0.001 0.101 0.155 0.026 0.008 0.023 0.012

LB 0.382 -1.248 -0.387 -0.725 -0.488 0.171 0.499 -0.519 -1.750

LM 0.230 0.240 0.195 0.268 0.334 -0.362 0.595 0.947 0.316

LE 0.125 0.229 0.308 0.079 0.256 0.012 0.157 0.537 0.162

 Phe-Phe

        HB HM HE SB SM SE LB LM LE

HB -0.403 -2.603 -0.159 0.127 0.032 0.002 -1.559 -0.189 0.290

HM 0.491 0.133 0.025 0.037 0.006 -0.111 -0.447 0.407

HE 0.296 0.005 0.010 0.000 0.022 0.072 0.049

SB -1.870 -2.960 0.313 0.005 0.363 -0.369

SM 0.151 0.300 -0.018 0.197 0.126

SE 0.031 0.011 0.035 0.016

LB -1.763 1.646 0.002

LM -0.690 0.650

LE 0.086

 Phe-Leu

        HB HM HE SB SM SE LB LM LE

HB -6.364 -2.958 -1.591 -0.501 0.119 0.005 -3.368 -0.059 0.036

HM -2.391 -4.499 2.651 0.139 0.037 0.011 0.004 -0.596 -0.022

HE -0.043 2.666 1.778 0.011 0.018 0.002 -0.014 0.066 0.123

SB -0.254 0.404 -0.143 -6.586 -1.777 0.821 -1.730 0.004 0.039

SM 0.423 0.154 -0.072 -1.116 -2.494 0.409 0.305 0.005 0.200

SE 0.004 0.010 0.002 -0.201 0.590 0.122 0.155 -0.379 0.026

LB -2.692 0.018 0.129 -0.086 -0.048 0.035 0.083 -0.028 0.284

LM -1.162 -2.035 0.212 0.449 -0.038 0.060 -0.213 1.137 0.766

LE 0.294 0.816 -0.200 -0.197 0.291 0.026 0.365 0.904 -0.474

 Phe-Trp

        HB HM HE SB SM SE LB LM LE

HB -1.420 0.247 -0.311 0.047 0.009 0.001 0.093 0.130 0.118

HM -0.472 -0.221 -0.827 0.022 0.020 0.002 0.068 0.029 -0.131

HE 0.040 0.184 0.278 0.002 0.005 0.000 0.007 0.028 0.016

SB 0.169 0.022 0.002 -3.496 -1.720 -0.076 -0.606 0.148 0.135

SM 0.013 0.021 0.005 -1.959 -2.581 0.343 0.059 -0.409 -1.078

SE 0.000 0.002 0.000 0.076 0.304 0.027 0.004 0.020 0.008

LB -0.504 -0.244 0.007 0.092 0.035 0.004 -1.089 -0.111 -0.110

LM 0.024 0.231 0.028 -0.124 -0.272 0.020 0.399 0.687 0.776

LE 0.031 0.095 0.016 0.127 0.055 0.008 0.059 -0.244 -0.194

 Phe-Val

        HB HM HE SB SM SE LB LM LE

HB -4.879 -0.141 0.233 -1.428 -0.979 0.003 -0.769 0.851 0.083

HM -1.075 -2.824 2.171 -0.747 0.282 0.011 0.204 0.201 -0.311

HE 0.193 0.783 0.401 0.012 0.018 0.001 0.030 0.132 0.099

SB -0.153 -0.715 0.013 -6.987 -0.711 0.586 -1.516 -1.932 -0.050

SM 0.436 -0.022 0.020 -0.857 -4.724 -0.779 -0.245 0.092 0.432

SE -0.079 0.011 0.001 0.591 -0.505 0.171 0.020 0.062 0.029

LB -1.275 0.239 0.030 -1.622 0.271 0.020 -1.930 -0.413 0.196

LM 0.487 -0.937 0.019 0.085 -0.127 0.063 0.201 0.369 0.520

LE 0.704 -0.020 0.114 0.191 0.244 0.029 0.250 0.668 0.038

 Phe-Ile

        HB HM HE SB SM SE LB LM LE

HB -0.374 0.190 0.459 0.073 -0.177 0.003 0.021 -0.532 -0.234

HM -2.646 -2.910 -0.428 -0.648 -0.223 0.008 0.204 -0.391 0.321

HE 0.457 0.316 -0.332 0.010 0.012 0.001 0.020 0.087 -0.332

SB -0.601 -0.308 0.006 -6.366 -3.129 -0.332 -0.839 -0.216 0.313

SM -0.173 0.047 0.014 -1.662 -0.347 -1.145 -0.328 0.624 -0.153

SE 0.003 0.007 0.001 -0.054 0.159 0.100 0.010 0.042 -0.566

LB -1.628 -0.003 0.021 -1.000 0.426 0.010 -2.810 0.331 0.013

LM -0.144 0.296 0.090 1.345 0.731 0.084 -0.328 1.167 0.859

LE 0.078 0.141 0.176 0.325 0.168 0.020 0.371 0.756 0.223

 Phe-Met

        HB HM HE SB SM SE LB LM LE

HB -1.338 -0.043 0.067 -0.472 -0.094 0.001 0.074 -0.103 0.174

HM -0.187 -2.647 1.010 0.021 0.065 0.004 -0.976 0.617 -1.392

HE 0.068 -2.933 0.481 0.003 0.006 0.000 0.009 0.044 0.030

SB -0.445 0.051 0.003 -3.295 -0.955 0.136 0.352 -1.257 0.038

SM 0.008 0.039 0.006 0.724 -0.551 0.005 -0.140 0.324 0.173

SE 0.001 0.002 0.000 0.383 -0.021 0.029 0.005 0.019 0.009

LB -0.237 0.017 0.008 -0.578 -0.464 0.005 0.409 -0.404 -0.068

LM 0.322 -0.091 0.048 -0.220 -0.081 0.017 0.543 0.610 -1.517

LE 0.032 0.129 0.031 0.151 0.050 0.009 0.225 0.220 0.090

 Phe-His

        HB HM HE SB SM SE LB LM LE

HB -0.872 -2.668 -1.086 0.054 -0.719 0.001 -0.117 -0.963 0.046

HM 0.420 0.711 0.457 0.024 0.027 0.004 0.186 0.048 0.045

HE 0.179 1.166 0.290 0.004 0.008 0.000 0.012 0.087 0.042

SB -0.668 0.255 -0.109 0.683 -2.350 -0.255 0.060 -0.019 -0.026

SM 0.175 0.028 0.008 -0.022 -0.047 0.110 -0.026 -0.354 -0.049

SE 0.001 0.004 0.000 0.161 0.024 0.027 0.006 0.016 0.007

LB 0.269 -0.637 0.012 -0.128 -0.470 0.006 0.131 -0.288 0.114

LM -0.230 -0.658 0.052 0.250 0.404 0.017 0.492 0.401 0.354

LE 0.047 0.319 0.040 0.058 0.031 0.081 0.157 -0.046 0.135

 Phe-Tyr

        HB HM HE SB SM SE LB LM LE

HB -3.896 -1.097 -0.061 -0.064 -0.503 0.002 -0.290 -2.117 0.338

HM 0.531 -0.006 -1.857 -0.328 0.074 0.003 -0.276 0.282 0.165

HE 0.314 0.913 -1.762 0.005 0.008 0.000 0.017 -0.158 0.329

SB -0.105 -0.647 0.004 -2.546 -3.457 0.018 -0.758 0.040 0.090

SM 0.024 -0.387 0.008 -0.680 -3.227 0.316 0.236 0.092 0.121

SE 0.003 0.003 0.000 0.134 0.169 0.078 0.009 0.037 0.023

LB -1.475 -0.349 0.082 -0.442 -0.342 0.009 -1.127 -0.033 0.465

LM 0.300 0.367 0.068 -0.060 -0.027 0.038 0.463 -0.667 0.334

LE 0.208 -0.197 -0.370 0.100 -0.370 0.023 0.143 0.767 0.183

 Phe-Ala

        HB HM HE SB SM SE LB LM LE

HB -5.967 -1.107 0.541 -0.600 0.057 0.003 -0.021 0.261 -0.066

HM -2.375 -0.012 0.551 -0.777 0.081 0.008 -0.247 0.671 -0.216

HE 0.376 0.024 0.815 -0.571 0.039 0.001 0.032 0.226 -0.594

SB -0.728 -0.073 0.009 -1.879 0.392 -0.871 -0.986 -0.066 0.350

SM -0.123 -0.332 0.018 -2.222 1.228 0.099 0.170 0.448 0.171

SE 0.003 0.008 0.001 0.172 0.416 0.141 0.035 0.053 0.030

LB -2.040 0.025 -0.343 -1.701 0.712 0.018 0.356 0.040 0.011

LM -0.095 -1.045 -0.086 -0.214 0.515 0.053 -0.048 0.283 0.988

LE 0.472 0.469 0.137 0.175 0.315 0.030 0.226 1.014 0.483

 Phe-Gly

        HB HM HE SB SM SE LB LM LE

HB -0.012 1.125 0.020 -0.010 0.145 0.007 -0.101 0.146 -2.142

HM -1.222 0.589 0.658 0.162 0.064 0.010 0.124 -3.445 -0.729

HE -0.894 0.723 0.391 0.007 0.014 0.001 0.128 0.277 0.171

SB -0.037 0.073 0.009 -3.101 0.043 0.448 -2.106 0.160 -0.788

SM 0.088 0.077 0.014 -2.825 1.200 1.020 -0.201 -0.352 0.328

SE 0.002 0.010 0.001 -0.617 -0.202 0.171 0.017 0.062 0.035

LB -0.816 -0.969 0.031 0.076 0.393 0.110 -2.539 -1.430 0.428

LM -0.069 -0.407 0.229 0.327 0.718 0.063 0.088 0.480 -0.268

LE 0.154 0.529 0.439 -0.048 0.135 0.035 -0.234 1.149 0.294

 Phe-Pro

        HB HM HE SB SM SE LB LM LE

HB 1.201 -1.359 -0.323 0.287 0.033 0.003 -0.090 -0.134 0.190

HM 1.532 1.309 1.018 0.052 -0.268 0.007 -0.483 -0.033 -0.540

HE 0.136 0.768 0.479 0.007 0.013 0.000 0.023 0.402 0.059

SB 0.068 0.078 0.007 2.630 0.350 0.520 -0.884 -0.972 -0.728

SM 0.350 0.046 0.014 1.570 1.084 -0.311 0.388 -1.140 -0.284

SE 0.002 -0.077 0.000 0.220 0.325 0.128 0.013 -0.421 -0.114

LB 0.200 -0.188 0.069 -0.042 0.158 -0.135 0.434 -2.862 -0.533

LM 0.503 0.406 0.117 -0.378 0.687 0.129 0.762 -0.446 0.697

LE 0.074 -0.128 0.060 0.111 0.270 0.018 0.362 0.912 -0.057

 Phe-Asn

        HB HM HE SB SM SE LB LM LE

HB 2.387 0.024 -0.262 0.023 0.270 0.002 -0.279 -0.609 -0.043

HM -0.528 0.255 1.063 0.241 0.055 0.007 0.085 -1.004 -0.666

HE 0.127 1.402 -0.732 0.008 0.016 0.001 0.119 -0.032 0.024

SB 0.138 -0.204 0.010 1.067 -0.838 -0.206 -0.036 0.252 -0.876

SM 0.041 -0.321 -0.081 0.862 0.357 -0.293 0.047 0.267 0.236

SE 0.002 0.144 0.001 0.324 -0.318 0.358 0.013 0.291 0.054

LB -0.489 -0.979 0.035 -0.033 0.094 0.013 -1.672 -0.308 0.267

LM 0.468 0.125 0.866 0.409 0.172 0.054 1.051 1.515 -0.064

LE 0.121 -0.065 0.080 -0.576 0.161 0.025 -0.283 0.335 -0.562

 Phe-Thr

        HB HM HE SB SM SE LB LM LE

HB -0.059 -1.313 -0.218 0.044 -0.929 0.002 0.389 -0.654 0.118

HM -0.577 -0.360 1.625 0.048 0.216 0.006 0.039 -0.710 0.178

HE -0.072 1.492 0.437 0.007 0.029 0.001 0.025 0.202 0.075

SB 0.070 0.053 0.008 0.217 0.452 -0.717 0.182 -0.978 -0.251

SM 0.040 -0.153 0.013 -1.176 -1.165 -2.640 0.485 -0.292 -0.066

SE 0.003 0.009 0.001 0.423 0.082 -0.378 0.014 -0.133 0.041

LB 0.399 -0.264 0.025 -0.368 0.087 0.125 0.506 -1.024 0.775

LM -0.150 0.054 -0.599 0.254 -0.784 0.044 0.309 0.118 -0.161

LE 0.237 0.299 0.158 -0.532 -0.628 0.025 0.337 0.545 0.610

 Phe-ser

        HB HM HE SB SM SE LB LM LE

HB -1.300 -0.033 -1.104 0.980 -0.940 0.003 -1.144 -0.899 -0.008

HM 0.752 -0.408 3.429 0.152 0.080 0.016 -0.200 -0.517 -0.975

HE 0.220 -1.155 3.005 0.012 0.024 0.001 0.033 0.135 0.490

SB -1.295 -0.039 0.011 -0.193 -0.767 -1.062 0.308 -0.681 -0.685

SM -0.066 0.072 0.022 0.197 0.473 0.180 -0.675 -1.075 -0.135

SE 0.004 0.008 0.001 -0.613 0.444 0.101 0.018 0.062 0.033

LB -1.225 0.507 0.320 0.602 0.014 0.019 0.295 0.317 0.573

LM 0.272 -0.752 -0.278 0.588 -0.226 0.063 1.411 -0.470 0.847

LE -0.655 0.946 -0.062 0.058 -0.965 0.032 0.164 1.289 0.512

 Phe-Arg

        HB HM HE SB SM SE LB LM LE

HB 2.164 -3.043 -0.609 0.324 0.162 0.002 0.454 -0.762 -0.394

HM 0.636 -0.340 1.031 0.056 -0.116 -0.365 0.364 0.398 0.327

HE 0.350 1.312 1.370 0.005 0.013 -0.923 0.023 0.093 0.175

SB 0.151 0.370 -0.016 1.408 -2.326 -0.194 1.036 -1.544 -0.655

SM 0.036 0.048 0.013 0.919 0.608 -0.604 0.447 0.180 -0.206

SE 0.002 0.007 0.001 0.285 0.508 -0.527 0.015 0.153 0.023

LB -0.332 -0.741 -0.081 0.301 -0.959 0.010 0.468 -0.631 -0.022

LM 1.000 -1.569 -0.573 0.471 -0.264 0.048 0.840 -1.045 -0.452

LE 0.055 -0.282 0.234 0.150 -0.115 0.023 0.190 0.361 0.253

 Phe-Gln

        HB HM HE SB SM SE LB LM LE

HB 0.782 -2.898 -0.867 0.080 0.027 0.002 0.519 0.401 -0.027

HM 0.097 -1.905 0.866 0.030 0.032 0.038 0.378 0.021 0.357

HE 0.322 -0.212 1.516 0.007 0.010 0.001 0.019 0.030 0.037

SB 0.266 -0.114 0.007 0.685 -1.239 -0.043 0.153 -0.292 -0.436

SM 0.072 0.028 0.009 0.405 -2.102 -1.067 0.391 0.303 -0.649

SE 0.002 0.005 0.001 0.529 0.201 0.057 0.009 0.029 0.018

LB -0.237 -0.649 0.019 0.165 0.109 0.011 0.880 -0.355 -0.308

LM 0.343 0.152 0.883 0.138 -0.021 0.045 0.384 0.778 -1.839

LE -0.334 0.303 0.352 0.082 0.131 0.018 0.326 0.261 0.564

 Phe-Asp

        HB HM HE SB SM SE LB LM LE

HB 1.767 0.097 -0.479 0.156 -0.005 0.003 -0.788 -1.016 0.088

HM 0.635 1.312 0.531 0.064 0.013 0.006 0.216 0.281 -0.655

HE 0.090 0.130 1.401 0.009 0.015 0.000 0.025 0.130 0.111

SB 0.398 -0.906 0.007 1.625 1.423 0.207 0.987 -0.335 -0.563

SM 0.072 0.067 0.016 0.041 0.537 -0.173 0.449 0.436 -0.007

SE 0.003 0.009 0.000 0.347 0.489 -0.003 0.013 0.002 0.025

LB 0.381 0.065 0.585 0.155 0.159 0.055 0.198 -1.168 0.193

LM 0.342 -1.656 -0.482 0.490 0.423 0.057 1.439 -0.634 0.509

LE 0.144 -0.116 0.082 0.192 0.176 0.025 0.198 -0.035 0.186

 Phe-Lys

        HB HM HE SB SM SE LB LM LE

HB 3.992 -4.840 -1.883 0.243 -0.083 0.006 0.620 -0.539 -0.830

HM 1.679 -1.728 -0.112 0.062 -0.239 0.007 0.409 1.301 -0.835

HE 0.164 1.565 2.156 0.007 0.015 0.001 0.024 0.116 0.087

SB 0.525 -0.416 0.008 3.483 -1.070 -0.359 1.561 -0.020 -1.353

SM 0.045 0.338 -0.168 0.530 -0.295 -0.610 0.390 0.400 -0.385

SE 0.003 0.008 0.001 0.243 0.084 0.078 0.012 0.253 0.082

LB 0.080 -0.248 -0.401 0.568 -0.048 0.009 1.158 -3.831 0.003

LM 0.777 -1.169 0.010 0.398 0.010 0.050 1.105 1.383 -2.191

LE 0.100 0.561 0.194 0.122 0.351 0.023 0.214 0.338 0.237

 Phe-Glu

        HB HM HE SB SM SE LB LM LE

HB 1.919 -1.357 0.604 0.254 0.117 0.003 0.633 0.126 -0.157

HM -0.931 -1.624 0.721 0.064 0.061 0.010 0.598 0.008 -0.086

HE 0.213 0.962 1.574 -0.571 0.016 0.001 0.027 0.143 0.090

SB -0.421 -0.111 -0.180 0.496 -3.948 -0.405 0.934 -0.418 0.482

SM 0.044 0.056 0.015 1.792 0.057 -0.525 0.314 0.369 -0.231

SE 0.003 0.034 0.001 0.409 0.543 0.251 0.018 0.047 0.022

LB -0.363 -1.593 -0.109 -0.833 0.093 0.017 2.055 0.328 0.572

LM 0.213 -0.979 -1.186 0.402 0.079 -0.165 1.142 0.517 0.378

LE 0.108 0.690 0.333 -0.253 0.343 0.022 0.261 0.572 0.278

 Leu-Leu

        HB HM HE SB SM SE LB LM LE

HB -6.031 -1.034 -0.244 -3.161 0.226 0.009 -4.736 -2.353 2.504

HM 1.177 -2.663 -0.851 0.211 0.020 0.362 -1.891 -0.555

HE -3.012 -0.083 0.033 0.007 0.116 0.444 0.113

SB -5.670 -1.684 1.313 0.060 0.326 0.290

SM 0.562 0.468 0.283 -0.419 0.038

SE 0.224 0.088 0.105 0.043

LB -0.704 0.927 0.960

LM 1.728 1.404

LE 0.425

 Leu-Trp

        HB HM HE SB SM SE LB LM LE

HB -2.223 -1.334 0.836 0.297 -0.084 0.001 -0.561 0.018 -0.005

HM -0.639 -1.247 0.328 0.080 0.083 0.004 0.064 0.033 -0.156

HE 0.367 -0.325 0.844 0.004 0.008 0.001 0.015 0.062 0.118

SB 0.050 -0.164 0.004 -1.045 -1.394 0.346 -0.517 0.168 0.100

SM 0.025 0.035 0.008 -0.080 -0.544 -0.008 -0.063 -0.230 0.082

SE 0.001 0.003 0.001 0.117 0.242 0.084 0.007 0.031 0.012

LB -1.481 -0.460 0.016 0.063 -0.355 0.007 -1.035 0.637 -0.041

LM 0.178 0.435 0.419 -0.793 -2.652 -0.198 0.177 0.847 0.559

LE 0.142 0.310 -0.363 -0.022 0.339 0.124 0.099 0.263 0.146

 Leu-val

        HB HM HE SB SM SE LB LM LE

HB -7.056 1.095 0.830 -2.204 0.298 0.007 -0.547 0.572 0.273

HM -0.368 0.895 1.435 -1.182 0.393 0.017 -0.150 0.279 -0.087

HE 0.641 -3.252 -0.668 -0.075 0.166 0.003 -0.013 -0.592 0.028

SB 0.749 -0.805 0.024 -8.608 -1.613 -0.354 -1.067 -1.418 -0.659

SM -0.019 0.180 0.029 -1.877 -2.380 0.053 -0.314 0.120 0.693

SE 0.006 -0.239 0.003 0.329 -0.615 0.135 0.033 0.201 0.042

LB -0.869 0.503 0.060 -1.893 -0.489 0.069 -2.385 -0.347 0.426

LM -2.781 -0.057 0.248 -1.425 -0.702 -0.353 -0.260 -0.398 0.682

LE -0.041 -1.544 0.241 0.134 0.039 0.043 -0.157 -0.170 -0.187

 Leu-ile

        HB HM HE SB SM SE LB LM LE

HB -5.982 0.845 0.986 0.489 0.318 0.005 -3.973 -0.317 0.449

HM -5.399 1.552 -1.788 -1.341 0.024 0.013 -3.787 -1.062 0.325

HE 0.381 -2.353 -3.066 0.021 0.021 0.004 0.206 -0.375 0.287

SB 0.004 -0.202 0.035 -8.068 -3.976 -0.616 -0.539 -0.258 -0.235

SM -0.057 0.094 0.023 -1.874 -1.275 0.598 -0.134 1.109 0.217

SE 0.007 0.013 0.004 0.650 0.320 0.060 0.049 0.075 0.028

LB -1.209 -1.558 0.045 -0.771 0.334 -0.067 -1.369 0.903 0.152

LM -3.414 -0.069 0.377 1.230 0.537 0.072 -0.596 3.625 0.861

LE 0.328 0.543 0.276 0.094 0.342 0.028 0.374 1.016 0.603

 Leu-Met

        HB HM HE SB SM SE LB LM LE

HB -4.654 -2.397 0.425 0.563 0.028 0.002 -0.953 0.499 -0.207

HM -1.118 -2.167 -0.990 0.156 -0.438 0.004 -0.078 0.696 0.350

HE 0.274 -1.531 0.805 0.006 0.009 0.001 0.017 0.180 0.519

SB -0.180 -0.026 0.007 -1.747 -2.010 -0.329 0.243 -0.198 0.153

SM 0.026 0.046 0.010 -0.594 -0.895 0.231 0.533 0.081 0.218

SE 0.002 0.005 0.001 -0.052 -0.080 0.047 0.008 0.072 -0.054

LB -1.707 0.437 0.112 -0.093 -0.472 0.009 -0.138 -0.743 0.220

LM -0.706 0.976 0.085 0.410 0.119 0.033 1.160 0.264 0.323

LE 0.312 -0.266 0.008 0.235 0.025 0.012 0.107 0.276 0.193

 Leu-his

        HB HM HE SB SM SE LB LM LE

HB 2.162 -2.226 0.315 0.251 0.032 0.002 0.900 0.044 -1.108

HM 0.150 -0.707 -0.983 0.092 0.111 0.008 -2.493 0.665 -1.740

HE 0.223 2.045 -0.820 0.007 0.013 0.001 0.024 0.241 0.136

SB -0.275 -0.021 0.007 -0.658 -3.809 -0.289 0.263 -0.875 0.127

SM 0.048 0.048 -0.047 0.650 -1.412 0.040 -0.130 0.338 0.051

SE 0.002 0.006 0.001 0.459 0.027 0.059 0.010 0.029 -0.049

LB -0.500 0.044 0.025 0.846 0.253 0.010 0.874 -0.063 -0.224

LM -0.444 0.289 0.356 0.216 -0.878 0.030 0.380 -0.350 0.097

LE 0.431 -1.250 0.066 0.548 -1.049 0.014 0.345 0.461 0.282

 Leu-tyr

        HB HM HE SB SM SE LB LM LE

HB -5.502 -3.942 0.008 -0.491 -1.167 0.003 -1.146 -0.722 -0.349

HM -0.787 -5.703 0.472 0.083 0.051 0.006 -0.078 0.082 0.350

HE 1.047 1.313 0.017 0.010 -0.035 0.001 0.055 -0.141 -0.337

SB -1.298 -0.035 0.011 -2.451 -4.943 0.471 -0.535 0.502 0.175

SM 0.258 -0.310 0.014 -0.110 -1.285 -1.751 0.030 -0.240 0.008

SE 0.003 0.007 0.001 -2.059 -0.265 0.102 0.015 0.059 0.026

LB 0.340 -1.517 0.063 -0.391 -0.601 0.086 0.810 -1.434 -0.010

LM -1.943 -0.806 0.197 0.018 -1.858 0.057 0.314 1.152 0.111

LE -0.203 0.169 -0.197 0.191 0.359 0.026 0.278 0.155 0.323

 Leu-ala

        HB HM HE SB SM SE LB LM LE

HB -7.009 1.621 -0.209 0.186 0.524 0.006 -0.687 -1.543 0.466

HM -5.463 -2.007 -2.021 -0.099 0.039 0.015 0.543 -1.209 0.168

HE -1.809 -1.637 1.847 0.019 0.029 0.002 0.006 -0.484 0.166

SB -0.219 -0.493 -0.077 -3.015 0.207 -0.875 0.107 0.545 0.109

SM -0.860 0.378 -0.066 -1.903 -0.112 0.219 -0.006 0.247 -0.024

SE 0.008 0.015 0.002 -0.942 0.199 0.164 0.035 -0.007 0.044

LB -2.520 -2.987 0.052 0.025 -0.266 -0.149 -0.349 -1.146 0.350

LM -1.669 0.680 1.092 0.466 -0.513 0.089 1.125 1.994 0.625

LE -1.658 0.177 0.323 -0.035 0.013 0.044 0.064 -0.267 0.268

 Leu-gly

        HB HM HE SB SM SE LB LM LE

HB -0.804 2.105 0.552 -1.124 0.084 0.007 -1.196 -1.704 -0.319

HM -0.655 3.806 4.233 0.228 0.019 0.018 0.098 -1.884 -1.666

HE -0.083 1.337 2.237 -0.033 0.023 0.003 0.305 -0.348 -1.638

SB 0.236 -0.021 0.071 -0.636 2.910 1.025 -0.510 -0.559 0.032

SM 0.139 0.044 0.073 -0.760 2.412 0.977 -0.793 -0.363 0.511

SE 0.005 0.019 0.003 -0.468 1.029 0.050 0.031 -0.048 0.037

LB 1.047 -0.258 0.062 -3.939 0.760 0.031 -0.168 0.122 0.594

LM -2.213 -0.365 0.116 0.428 0.936 0.131 -0.069 1.760 -0.651

LE 0.130 0.526 0.205 0.507 0.300 0.045 0.757 0.296 -0.596

 Leu-pro

        HB HM HE SB SM SE LB LM LE

HB 5.306 1.896 -0.550 -0.082 -0.274 0.004 -0.622 -0.008 0.053

HM 1.915 3.295 1.054 0.102 0.041 0.011 -0.319 0.814 1.224

HE 0.222 2.274 0.400 0.013 -0.063 0.002 0.046 0.736 0.136

SB 0.498 -0.413 0.208 3.449 2.747 -0.572 0.551 -0.760 -0.467

SM -0.156 0.076 0.022 2.455 2.757 0.052 -0.078 -0.704 -0.824

SE 0.003 0.011 0.002 0.422 0.144 0.178 0.026 0.073 0.031

LB -0.625 -0.574 0.046 0.326 0.029 0.102 0.569 0.588 0.554

LM 0.556 0.452 0.792 0.858 -0.056 -0.356 1.995 1.393 -0.224

LE 0.181 0.367 -0.646 0.415 0.283 0.031 0.131 0.350 0.000

 Leu-asn

        HB HM HE SB SM SE LB LM LE

HB 3.120 2.108 1.551 0.778 0.158 0.004 0.297 -3.633 0.244

HM 1.431 -0.411 -0.051 0.106 -0.368 0.011 -0.912 0.745 -1.113

HE 0.386 1.981 -4.403 0.015 0.024 0.002 0.068 -1.284 -4.548

SB 0.350 -0.437 0.014 1.921 -0.067 -0.858 0.811 0.078 -0.709

SM 0.066 -0.834 0.024 2.632 3.014 -0.849 -0.920 -0.590 -2.081

SE 0.004 0.010 -0.312 0.398 -0.157 -0.122 0.018 -0.589 0.034

LB -0.226 -0.300 0.216 1.007 -0.219 -0.084 1.630 -0.277 -0.318

LM 0.522 -2.192 -0.409 0.542 -0.394 0.267 0.759 -1.587 0.893

LE -0.060 -0.847 0.145 0.337 0.548 0.034 -0.095 0.899 0.751

 Leu-Thr

        HB HM HE SB SM SE LB LM LE

HB -2.721 -0.698 -0.657 0.935 -0.380 0.006 1.082 -2.130 -0.114

HM -2.639 2.464 0.485 -0.052 -0.350 0.014 0.607 0.128 0.141

HE -0.447 3.637 3.997 0.014 0.149 0.005 0.053 0.309 0.183

SB 0.315 0.419 0.017 1.058 -3.404 -0.998 -0.824 -1.827 -0.080

SM 0.141 0.232 0.052 1.255 -0.438 -1.365 -0.328 -0.741 0.488

SE 0.005 0.060 0.005 0.046 0.661 0.252 0.023 -0.092 0.034

LB -0.888 -0.618 0.117 -0.270 -0.185 0.023 0.351 -1.344 0.806

LM -0.670 0.914 0.407 -0.361 -0.786 -0.163 0.043 1.700 0.373

LE 0.311 0.649 0.067 -0.249 -0.723 0.145 0.410 1.115 0.009

 Leu-ser

        HB HM HE SB SM SE LB LM LE

HB -0.046 -0.487 0.696 0.570 -1.840 0.006 1.404 -0.787 0.348

HM 0.274 -0.205 4.665 0.134 0.141 -0.089 0.406 -1.975 2.149

HE 0.697 0.588 -3.794 0.139 -0.066 0.245 -0.161 -0.154 -1.038

SB -0.357 0.169 -0.373 1.585 -1.248 -0.770 0.533 0.757 -0.015

SM -0.027 0.305 0.038 0.316 -0.738 0.330 -0.580 0.129 0.077

SE 0.006 0.015 0.002 0.475 0.704 0.204 0.246 0.173 0.039

LB -1.546 0.473 0.214 0.896 -0.298 0.039 -1.209 0.637 0.818

LM 0.761 0.299 0.488 -0.924 0.966 0.278 1.419 -0.957 0.648

LE -0.433 -1.598 0.298 -0.104 0.122 0.046 0.001 0.959 -0.292

 Leu-arg

        HB HM HE SB SM SE LB LM LE

HB 4.253 -4.270 -2.001 0.766 0.344 0.004 0.948 -0.894 -1.642

HM 2.603 -2.774 -3.597 -0.022 0.063 -0.015 0.889 1.427 0.196

HE 0.383 4.469 -2.080 0.015 0.023 0.003 0.045 -0.077 0.295

SB 0.237 0.427 -0.084 3.933 -4.982 -2.908 1.103 0.083 -0.302

SM 0.067 -0.060 -0.045 3.414 0.174 -0.509 0.348 -0.829 -0.512

SE 0.004 0.059 0.003 0.501 0.410 0.261 0.277 0.228 -0.171

LB -0.129 -1.700 -0.362 0.547 -0.894 -0.712 2.087 -0.297 -0.021

LM 0.222 -0.937 0.051 0.329 -1.744 0.081 2.336 0.243 0.245

LE 0.096 0.619 0.678 0.189 -0.033 0.138 0.450 0.119 -1.896

 Leu-Gln

        HB HM HE SB SM SE LB LM LE

HB 2.268 -1.808 -0.934 0.944 -0.536 -0.135 1.123 -0.761 -0.807

HM -0.262 -2.449 -1.702 0.117 -0.369 0.154 0.988 0.623 0.040

HE 0.177 0.225 -0.423 0.010 -0.089 0.003 0.131 0.446 -0.443

SB -0.093 -0.158 0.010 2.554 -0.864 -1.279 0.549 -0.120 0.188

SM -0.015 0.172 0.015 -0.486 -0.895 -1.074 0.360 -0.665 -0.735

SE 0.004 0.009 -0.311 0.464 0.900 0.136 0.045 0.048 0.024

LB 0.469 -1.638 -0.276 0.133 -0.633 0.085 2.431 0.033 0.062

LM 0.480 -0.555 0.150 0.347 0.501 -0.004 1.697 0.112 -0.077

LE 0.242 0.718 0.338 0.103 0.697 -0.021 0.130 0.966 0.029

 Leu-Asp

        HB HM HE SB SM SE LB LM LE

HB 1.924 1.262 0.513 0.731 -0.027 0.005 0.742 0.437 1.365

HM 2.044 2.420 -2.463 0.552 -1.298 0.091 0.976 -0.116 0.035

HE 0.706 -0.234 2.070 0.141 0.026 0.001 0.221 0.490 0.274

SB 0.199 -0.322 -0.050 2.145 2.345 0.237 0.641 -0.668 -0.574

SM 0.074 -0.201 0.103 1.754 3.787 0.218 0.467 0.412 -1.715

SE 0.005 0.010 0.001 0.448 0.172 -0.031 -0.143 0.138 0.020

LB -1.105 -0.884 0.190 0.418 0.311 0.347 -0.036 0.291 0.502

LM 0.894 0.680 -0.377 1.033 0.515 0.148 1.120 -1.955 -0.213

LE -0.082 0.122 -0.111 0.203 0.392 0.035 0.421 1.018 0.665

 Leu-Lys

        HB HM HE SB SM SE LB LM LE

HB 6.443 -6.091 -0.492 0.568 -0.363 0.005 2.273 -1.165 -3.493

HM 3.380 2.638 0.027 0.210 -0.770 0.012 1.012 1.188 -2.843

HE 0.430 4.371 0.193 0.015 0.084 0.004 0.050 -0.065 0.382

SB 0.266 0.717 0.016 4.068 -2.389 -1.382 1.234 0.073 -1.159

SM 0.072 -0.185 -0.016 2.219 -0.425 -2.792 0.461 0.547 0.554

SE 0.006 0.012 0.004 0.348 0.487 -0.135 0.019 0.152 0.189

LB 1.255 -1.435 -0.086 0.904 -1.164 -0.286 1.996 -2.339 -1.383

LM 0.852 0.175 -2.680 1.132 -0.140 -0.706 1.846 1.090 -2.445

LE 0.232 -0.553 -0.469 0.276 0.445 -0.057 0.622 -1.360 0.409

 Leu-glu

        HB HM HE SB SM SE LB LM LE

HB 3.879 0.772 0.332 0.534 0.106 0.103 2.401 -0.508 0.785

HM 1.285 3.007 4.205 0.483 0.066 -0.008 0.842 1.816 0.608

HE 0.245 -1.200 -3.567 0.020 0.031 0.005 0.058 0.816 0.658

SB 0.376 -0.347 0.020 3.552 -3.461 -1.362 1.652 -0.376 -1.231

SM 0.071 0.003 0.163 2.067 1.190 0.090 0.487 0.420 1.003

SE 0.006 0.017 0.005 0.490 1.005 0.213 0.036 -0.351 0.034

LB -1.037 -0.596 0.294 0.313 0.302 0.033 1.960 0.523 -0.295

LM 0.922 -3.985 -0.377 1.073 0.893 0.246 2.156 1.250 0.461

LE -1.360 -0.706 -0.417 0.344 0.571 0.034 0.437 1.402 0.698

 Trp-Trp

        HB HM HE SB SM SE LB LM LE

HB 0.040 -0.691 -0.388 -0.765 0.008 0.000 -0.030 -0.259 0.016

HM 0.493 0.531 -0.033 0.010 0.001 0.144 -0.591 0.026

HE 0.051 0.001 0.003 0.000 0.004 0.017 0.008

SB -0.832 0.421 0.036 -0.395 -0.781 0.065

SM -0.040 0.126 -0.083 -0.246 0.026

SE 0.005 0.001 0.010 0.004

LB 0.159 0.097 0.030

LM 0.143 0.109

LE 0.021

 Trp-Val

        HB HM HE SB SM SE LB LM LE

HB -3.725 0.554 0.110 0.280 0.018 0.001 -0.406 0.039 0.042

HM -0.903 -0.363 0.465 -0.054 -0.166 0.004 -0.342 0.168 0.082

HE 0.315 -0.341 -0.191 0.005 -0.339 0.000 0.012 0.044 0.027

SB -0.252 0.030 0.004 -1.434 -0.257 0.119 -0.851 -0.177 -0.866

SM 0.018 -0.176 0.009 -2.271 -4.243 -0.166 -0.157 -0.566 -0.199

SE 0.001 0.003 0.000 -0.096 0.646 0.049 0.006 0.034 0.014

LB 0.045 -0.432 0.131 -0.431 0.085 0.006 -0.086 0.197 -0.221

LM -0.593 -0.419 0.042 -0.059 0.395 0.106 0.215 0.900 0.273

LE 0.047 0.084 0.029 0.529 0.083 0.014 0.151 0.103 0.266

 Trp-Ile

        HB HM HE SB SM SE LB LM LE

HB -0.488 0.034 0.048 -0.084 0.017 0.001 -1.141 -0.679 0.034

HM 0.311 -3.181 0.526 0.071 0.022 0.002 0.112 0.170 -0.009

HE 0.055 0.336 0.270 0.003 0.007 0.000 0.008 -0.088 0.024

SB 0.201 0.021 0.003 -2.527 -0.821 -0.103 -0.375 -0.060 0.049

SM 0.045 0.020 0.007 -2.813 -0.087 0.027 0.006 -0.245 0.431

SE 0.001 0.003 0.000 0.176 -0.008 0.031 0.003 0.022 0.009

LB 0.125 0.083 0.008 -0.240 -0.065 0.003 0.147 -0.353 0.059

LM 0.209 0.183 0.038 -0.534 -0.239 0.022 0.543 0.922 0.159

LE 0.043 0.111 0.026 0.180 0.056 0.009 0.306 0.181 0.117

 Trp-Met

        HB HM HE SB SM SE LB LM LE

HB -0.636 -0.928 0.023 0.019 0.005 0.000 -0.212 0.118 0.016

HM -1.051 -0.130 0.191 -0.079 0.008 0.001 0.052 0.167 0.112

HE 0.022 0.449 0.101 0.001 0.003 0.000 0.003 0.017 0.010

SB 0.045 0.011 0.001 -1.256 -1.220 -0.177 -0.322 0.017 0.006

SM 0.020 0.009 0.003 -0.870 0.089 0.045 -0.048 0.041 0.021

SE 0.000 0.001 0.000 0.035 -0.182 0.011 0.003 0.010 0.004

LB -0.045 0.031 0.003 0.106 -0.055 0.002 0.034 0.185 0.028

LM -0.077 -0.706 0.016 -0.037 0.120 0.010 0.197 0.377 0.078

LE 0.203 0.029 0.011 0.018 0.045 0.004 0.024 0.069 0.044

 Trp-His

        HB HM HE SB SM SE LB LM LE

HB 0.378 -0.361 0.275 0.028 0.008 0.001 0.183 -0.275 -0.089

HM 0.389 -0.160 -0.221 0.015 0.076 0.002 0.031 -0.027 0.041

HE 0.026 0.078 -0.230 0.001 0.002 0.000 0.005 -0.184 0.000

SB 0.025 0.007 0.001 -1.662 -0.169 0.041 -0.167 -0.516 0.027

SM -0.257 0.011 0.002 -0.017 -0.555 0.049 0.034 0.062 0.136

SE 0.000 0.001 0.000 0.042 0.164 0.012 0.002 0.008 0.004

LB -0.321 -0.879 0.005 0.335 0.287 0.002 0.276 -0.174 0.029

LM 0.033 0.131 0.019 -0.315 0.033 -0.102 0.143 0.305 0.127

LE 0.020 -0.036 0.012 0.027 0.024 0.004 0.072 0.123 0.054

 Trp-Tyr

        HB HM HE SB SM SE LB LM LE

HB -0.047 -0.982 0.394 0.284 -0.255 0.000 0.178 -0.518 0.034

HM 0.279 -4.350 0.466 0.021 0.020 0.001 -0.232 -0.366 -0.136

HE 0.081 0.386 0.139 0.002 0.004 0.000 0.029 -0.423 0.017

SB 0.044 -0.418 0.002 -1.787 0.021 -0.170 -0.044 -0.883 0.048

SM 0.010 -0.148 0.004 -0.676 -0.371 -0.683 0.086 0.382 0.051

SE 0.000 0.001 0.000 -0.140 0.195 0.029 0.003 0.023 0.009

LB 0.145 0.361 0.010 -0.388 -0.787 0.003 -0.929 0.123 -0.012

LM 0.287 0.038 0.029 -1.454 -0.231 0.020 -0.860 0.214 -0.169

LE 0.094 0.055 0.015 0.026 0.052 0.009 -0.018 0.153 0.077

 Trp-Ala

        HB HM HE SB SM SE LB LM LE

HB -2.611 -1.007 -0.622 -0.102 0.027 0.001 0.007 0.104 0.150

HM -2.285 0.369 0.394 0.081 0.030 0.003 -0.253 0.245 -0.124

HE 0.051 0.626 0.855 0.004 0.009 0.000 0.012 0.051 0.034

SB -0.960 0.033 0.005 -2.591 0.330 0.179 -0.181 0.203 0.069

SM -0.537 0.031 0.009 -0.456 -0.822 0.355 -0.273 -0.399 0.075

SE 0.001 0.004 0.000 0.262 0.274 -0.010 0.006 0.028 0.013

LB -2.022 -0.163 0.024 -0.142 0.087 0.006 -0.578 0.212 0.094

LM -0.135 0.123 0.238 -0.672 0.189 0.028 -0.445 -0.261 0.306

LE 0.061 0.112 0.036 0.204 0.116 0.013 0.234 0.797 -0.146

 Trp-Gly

        HB HM HE SB SM SE LB LM LE

HB -0.289 0.485 -0.042 -0.287 0.264 0.001 -0.355 -0.898 0.312

HM -0.055 0.508 0.625 -0.265 -0.015 0.006 -0.097 -0.740 -0.757

HE 0.091 -0.129 0.439 0.003 0.007 0.000 -0.470 -0.283 0.062

SB -0.670 -0.675 0.003 0.263 0.136 0.234 -0.330 0.047 -0.681

SM -0.314 0.059 0.008 -0.241 -0.914 0.234 -0.099 -2.042 0.246

SE 0.001 0.004 0.000 0.264 0.282 0.053 0.006 0.031 0.014

LB 0.011 -0.166 0.014 0.246 0.310 0.006 -1.912 -0.254 -0.344

LM -0.140 0.283 0.061 0.667 0.371 0.031 -0.422 0.354 0.379

LE 0.008 0.166 0.030 0.076 0.062 0.140 0.128 -0.133 0.258

 Trp-Pro

        HB HM HE SB SM SE LB LM LE

HB 0.744 -1.747 0.433 -0.138 0.014 0.000 0.222 0.105 0.033

HM 0.086 1.371 1.179 0.131 -0.183 0.002 -0.322 0.176 0.193

HE 0.042 0.238 0.292 0.004 0.006 0.000 0.047 0.053 -0.183

SB 0.047 0.023 0.003 0.833 -0.161 -0.479 -0.367 0.047 -1.815

SM 0.013 -0.219 0.006 0.222 -3.644 0.122 -0.026 -0.104 0.059

SE 0.001 0.002 0.000 -0.417 0.205 0.132 0.004 0.023 0.009

LB 0.288 -0.020 0.010 0.095 0.062 0.004 0.076 -0.155 -0.028

LM 0.465 -0.252 -0.167 0.200 0.133 0.023 0.886 -1.020 -0.230

LE 0.037 0.069 0.065 0.061 0.070 0.009 0.127 0.206 -0.706

 Trp-Asn

        HB HM HE SB SM SE LB LM LE

HB 0.286 0.044 0.245 0.064 -0.376 0.001 0.188 0.206 0.016

HM 0.886 -0.803 0.437 -0.286 0.026 0.002 -0.287 0.449 0.797

HE 0.278 0.501 0.919 0.003 0.010 0.000 0.010 0.081 0.024

SB 0.064 0.029 0.003 0.869 0.502 -0.275 -0.594 -0.477 0.076

SM 0.021 -3.425 0.010 0.808 -1.133 -0.626 0.076 -0.660 0.070

SE 0.001 0.002 0.000 0.092 0.449 0.051 0.005 -0.026 0.011

LB 0.145 -0.405 0.010 -0.455 0.166 0.005 0.522 -1.206 0.374

LM 0.210 -0.150 -0.828 -0.091 -0.575 -0.292 0.512 0.641 0.005

LE -0.263 -0.259 0.054 0.061 0.071 0.011 -0.573 0.138 0.030

 Trp-Thr

        HB HM HE SB SM SE LB LM LE

HB 0.009 -0.549 -0.130 -0.200 0.020 0.001 -0.521 -0.403 0.048

HM -0.631 0.305 -1.027 0.028 0.022 0.002 -0.001 -0.482 -0.019

HE 0.044 0.612 0.264 0.003 0.006 0.000 0.011 -1.121 0.029

SB -0.494 0.028 0.003 -0.510 -0.655 0.168 -0.132 -0.446 -0.268

SM -0.358 0.024 0.213 -0.106 -1.365 0.118 0.131 -0.072 -0.172

SE 0.001 0.002 0.000 0.213 -0.222 0.033 0.005 0.165 0.010

LB 0.031 0.056 0.136 0.247 0.134 0.005 -0.055 -0.052 0.224

LM 0.222 0.463 0.042 0.084 0.021 0.022 0.723 -0.092 0.224

LE 0.046 0.186 0.029 0.060 -0.041 0.011 -0.026 0.809 0.153

 Trp-Ser

        HB HM HE SB SM SE LB LM LE

HB -2.566 -0.068 -0.305 0.323 0.024 0.001 -0.738 -0.238 0.137

HM 0.318 -0.110 0.331 0.035 0.036 0.003 -0.049 0.109 -0.061

HE 0.152 0.809 0.955 0.004 0.011 0.000 0.012 0.042 0.034

SB -0.343 0.036 0.004 -0.569 -1.036 -0.133 -1.157 -0.310 -0.313

SM -0.040 -0.022 0.011 -0.738 -1.384 -0.292 -0.680 -0.046 0.111

SE 0.001 0.003 0.000 0.331 0.053 -0.499 0.007 0.036 0.015

LB 0.219 0.124 0.012 -0.087 0.097 0.137 -0.285 1.009 -0.289

LM 0.033 -0.028 0.081 -0.030 0.077 -0.035 0.242 0.637 -0.009

LE 0.209 -0.065 0.157 0.082 0.073 0.015 0.179 0.348 0.293

 Trp-Arg

        HB HM HE SB SM SE LB LM LE

HB 0.697 -0.288 -0.287 0.048 0.015 0.000 0.394 0.376 -0.172

HM 0.852 -1.007 -0.217 0.026 0.067 0.002 0.181 -0.510 0.095

HE 0.050 1.503 -0.189 0.002 0.007 0.000 0.009 0.156 0.026

SB 0.058 0.024 0.002 0.297 -1.029 -0.212 -0.179 -0.938 -0.374

SM 0.017 0.025 0.007 0.581 -0.314 -0.404 0.063 0.022 -0.013

SE 0.000 0.003 0.000 0.497 -0.189 0.059 0.004 0.028 0.011

LB 0.051 -0.400 -0.121 0.131 -0.041 0.004 0.337 -0.659 0.061

LM -0.119 -0.051 0.047 -0.275 -0.685 0.029 0.478 -0.245 -0.205

LE 0.035 0.069 -0.059 0.053 0.062 0.011 0.100 0.176 0.116

 Trp-Gln

        HB HM HE SB SM SE LB LM LE

HB 0.197 -0.910 -0.732 0.046 0.013 0.000 0.838 -0.697 -2.986

HM 0.715 0.984 -1.148 0.020 0.015 -0.202 0.068 0.255 0.292

HE -0.232 0.506 1.075 0.002 0.005 0.000 0.008 0.164 0.024

SB -0.078 0.092 0.002 0.388 0.222 -0.562 -0.311 0.126 0.212

SM 0.014 -0.253 0.046 -0.106 -1.935 0.286 0.347 -0.114 0.064

SE 0.000 0.002 0.000 0.062 0.178 0.023 0.003 0.015 0.007

LB 0.014 -0.010 -0.103 -0.245 0.059 0.003 -0.597 0.003 0.053

LM -0.375 -0.363 0.027 0.165 -0.101 0.015 0.382 0.230 0.019

LE 0.032 0.058 -0.232 0.041 0.582 0.007 -0.019 0.275 0.118

 Trp-Asp

        HB HM HE SB SM SE LB LM LE

HB 0.229 -0.189 0.059 0.074 0.020 0.001 0.578 -0.294 -0.480

HM -1.013 0.006 0.855 -0.016 0.029 0.003 0.117 -0.212 -0.057

HE 0.337 0.785 -0.031 0.003 0.009 0.000 0.010 0.130 0.026

SB -0.055 0.188 0.003 0.471 0.597 -0.371 0.066 0.545 0.063

SM 0.019 0.015 0.018 0.437 1.343 0.011 -0.237 -0.014 -0.733

SE 0.001 0.020 0.000 -0.078 0.514 0.079 0.005 0.253 0.013

LB -0.548 0.023 0.011 0.296 0.070 -0.066 -0.134 0.220 -0.010

LM 0.158 -0.005 0.043 0.014 0.153 0.046 -0.100 0.634 -0.038

LE -0.196 0.230 0.026 0.197 0.087 0.013 0.207 0.210 0.246

 Trp-Lys

        HB HM HE SB SM SE LB LM LE

HB 0.967 -0.130 0.266 0.052 -0.094 0.001 0.398 -0.003 0.148

HM 0.184 -0.581 1.361 0.026 -0.059 0.002 0.172 0.092 -0.147

HE 0.058 0.369 0.246 0.004 0.007 0.000 0.008 0.027 0.029

SB 0.141 0.026 0.066 0.488 -2.274 -0.710 0.532 -0.341 -0.427

SM 0.078 0.030 -0.122 0.496 -0.523 -0.609 0.028 0.029 0.016

SE 0.001 0.002 0.000 0.332 0.189 -0.295 0.004 0.284 0.011

LB 0.343 0.111 0.032 0.209 0.197 0.004 0.534 0.459 -0.128

LM 0.184 -0.261 0.042 0.195 -1.001 0.058 0.787 0.330 -0.003

LE 0.041 0.091 0.101 0.056 0.081 0.011 0.067 0.197 0.156

 Trp-Glu

        HB HM HE SB SM SE LB LM LE

HB 0.933 -0.277 -0.514 -0.177 0.016 0.002 0.394 -0.672 0.007

HM 0.824 1.195 -0.344 0.029 0.024 0.003 -0.053 -0.151 -0.830

HE 0.072 -0.452 -0.173 0.004 0.107 0.000 0.011 -0.106 0.039

SB 0.063 0.103 0.003 -0.585 -1.399 -0.281 -0.023 0.241 0.052

SM -0.119 0.021 0.007 1.318 -0.415 -0.982 0.109 0.550 -0.161

SE 0.001 0.004 0.000 -0.073 0.171 0.035 0.037 0.027 0.010

LB 0.178 0.111 0.030 0.194 -0.142 -0.126 0.707 0.188 0.041

LM 0.212 0.248 0.006 0.000 0.134 0.025 0.337 0.210 0.142

LE 0.053 -0.689 0.115 0.060 0.276 0.010 -0.269 0.254 0.293

 Val-Val

        HB HM HE SB SM SE LB LM LE

HB -2.252 -1.801 0.306 -1.405 -0.379 0.007 -0.251 0.148 0.265

HM -0.994 0.967 -1.077 -0.138 0.018 0.098 0.278 0.376

HE 0.943 0.062 0.033 0.002 0.048 0.361 0.168

SB -6.100 -3.026 0.140 -1.387 -2.185 -0.760

SM -2.056 -0.141 -1.174 1.029 -0.451

SE -1.304 0.032 0.105 0.048

LB -2.790 1.192 -0.036

LM -0.354 0.887

LE 0.257

 Val-Ile

        HB HM HE SB SM SE LB LM LE

HB -6.044 -1.535 0.518 0.887 0.192 0.005 0.581 0.358 0.331

HM 1.532 -0.699 -1.163 0.031 -0.276 0.012 -0.360 -1.482 0.049

HE -0.315 -0.583 -2.344 0.056 0.026 0.002 0.043 0.295 0.117

SB -0.087 -0.503 0.015 -7.743 -6.846 -1.011 -2.919 -1.116 -0.144

SM -0.026 0.138 0.135 -3.513 -2.784 -1.740 -0.512 -0.272 0.237

SE 0.006 0.013 0.002 -0.028 0.086 -0.032 0.114 -0.385 0.034

LB -0.684 0.026 0.132 -2.189 -0.113 0.015 -1.132 -0.743 -0.347

LM -0.378 1.027 0.167 -0.279 0.523 0.150 -0.550 1.490 0.713

LE 0.188 0.534 0.347 0.152 0.049 0.085 0.414 0.490 0.537

 Val-Met

        HB HM HE SB SM SE LB LM LE

HB -1.284 -1.443 0.092 0.236 0.021 0.002 -2.388 0.014 0.108

HM 0.245 -2.460 -0.420 0.031 0.031 0.004 0.002 0.220 0.481

HE -0.227 0.316 0.602 0.006 0.010 0.000 0.110 -0.061 0.049

SB -0.550 -0.602 0.006 -3.075 -1.812 0.457 -0.664 -1.284 0.138

SM 0.051 0.031 0.010 0.353 -1.292 0.233 0.247 0.194 -0.902

SE 0.002 0.004 0.000 0.272 0.226 0.133 0.009 0.033 0.015

LB -0.484 0.186 0.037 -1.127 0.232 -0.294 -1.142 -1.200 0.092

LM 0.216 0.527 0.058 -0.119 -0.956 0.032 -0.038 0.160 0.000

LE 0.257 0.153 0.046 -0.309 -0.046 0.015 0.092 0.235 0.153

 Val-His

        HB HM HE SB SM SE LB LM LE

HB 0.102 -0.551 -0.632 0.407 0.032 0.003 0.224 -1.136 -0.063

HM 1.785 -0.938 1.139 -0.164 0.042 0.007 0.241 -1.344 -1.679

HE 0.233 1.022 -0.420 0.006 0.012 0.001 0.017 0.079 0.067

SB -0.349 0.141 0.007 1.824 -2.924 -1.319 0.873 0.326 0.126

SM 0.025 -0.723 0.016 1.394 -3.968 -0.083 0.186 -0.620 0.047

SE 0.003 -0.468 0.001 0.258 0.414 0.127 0.033 0.027 0.129

LB -0.275 0.159 -0.183 -0.260 -0.005 0.010 0.349 -0.788 -0.176

LM -0.036 -0.553 0.172 0.473 0.135 0.027 0.455 -2.181 0.359

LE 0.089 0.020 0.202 0.088 -0.043 0.011 0.015 0.192 0.195

 Val-Tyr

        HB HM HE SB SM SE LB LM LE

HB -1.519 -3.615 0.112 0.486 -0.012 0.002 0.237 -1.170 0.224

HM 0.092 1.183 1.118 -0.041 0.050 0.006 -0.098 0.774 -0.682

HE 0.249 1.096 0.814 0.010 0.014 0.001 0.024 0.096 0.064

SB -1.358 0.107 -0.210 -1.899 -4.357 -1.920 -1.181 -1.068 -0.079

SM 0.051 -0.257 0.013 -1.703 -3.571 -3.081 -0.546 -0.954 0.250

SE 0.003 0.005 0.001 -0.125 -1.019 0.115 0.014 -0.009 0.033

LB 0.170 0.371 0.022 0.173 -0.202 0.015 -1.484 -1.865 0.202

LM 0.145 -0.351 0.140 -0.123 -0.413 0.062 0.464 0.870 -0.306

LE 0.089 0.158 0.117 0.141 0.319 0.033 0.200 0.533 0.276

 Val-Ala

        HB HM HE SB SM SE LB LM LE

HB -6.282 -1.445 1.251 -0.640 -0.113 0.007 -0.100 0.827 -0.011

HM -5.328 -0.061 0.645 0.080 0.110 0.016 -1.623 -0.768 -0.061

HE -0.001 0.121 2.640 0.020 0.030 0.001 0.009 0.231 0.220

SB -3.415 -0.542 0.019 -6.912 -1.628 -0.099 -2.568 -0.521 -0.361

SM -0.992 -1.177 0.161 -3.563 -0.382 0.424 -0.204 -0.155 -0.916

SE 0.005 0.016 0.001 -1.250 -2.308 -0.219 -0.030 0.093 0.049

LB -2.186 -0.042 -0.022 -1.692 0.233 -0.133 -1.587 0.225 -0.195

LM -1.009 -2.489 0.010 0.963 0.364 0.109 0.159 -0.550 0.397

LE 0.657 1.160 0.248 0.226 0.278 0.049 0.274 0.110 0.357

 Val-Gly

        HB HM HE SB SM SE LB LM LE

HB -1.028 5.130 -0.260 -0.462 0.083 0.004 0.126 -0.960 0.726

HM -1.696 -0.561 3.315 -0.254 0.208 0.018 0.507 -2.603 -0.024

HE -0.189 0.415 -0.378 0.016 -0.044 0.002 0.118 -0.034 0.269

SB -1.783 -0.350 -0.321 -1.086 0.266 1.057 -1.032 0.406 0.061

SM 0.092 0.002 0.023 -0.239 -2.142 1.133 -0.775 -1.826 0.323

SE 0.004 0.018 0.002 -0.379 -3.005 0.327 0.101 0.109 -0.811

LB -0.222 -0.385 0.048 -2.235 0.348 0.029 -4.195 0.190 -0.536

LM 0.779 1.107 0.186 -0.377 1.397 -0.040 0.058 0.650 0.370

LE 0.004 0.552 0.130 0.099 0.317 0.226 0.456 -0.041 0.520

 Val-Pro

        HB HM HE SB SM SE LB LM LE

HB 2.507 0.012 -0.459 0.196 -0.188 0.003 0.015 -0.108 0.240

HM 1.167 2.651 0.904 -0.266 -0.127 0.011 0.231 1.193 -0.088

HE 0.276 0.875 0.306 0.014 0.024 0.001 0.037 0.009 0.031

SB 0.140 -0.672 -0.669 3.007 3.343 -1.176 -0.563 -2.264 0.236

SM 0.049 -0.349 0.024 2.473 2.645 -0.110 -0.135 -0.989 0.451

SE 0.003 0.010 0.001 0.505 0.901 -0.700 -0.074 0.143 0.030

LB -0.495 -1.100 -0.036 0.509 0.218 0.021 1.044 -0.905 -0.047

LM 0.080 0.648 -0.229 0.928 0.569 0.070 1.090 0.556 -0.580

LE 0.557 0.156 0.235 0.194 0.570 0.034 0.153 -0.219 0.339

 Val-asn

        HB HM HE SB SM SE LB LM LE

HB 3.745 0.240 0.500 0.661 0.087 0.004 0.371 -0.802 -0.117

HM 2.363 0.241 -1.443 0.081 -0.039 0.010 0.781 0.928 0.162

HE 0.096 0.967 -1.884 0.019 0.025 0.001 0.036 0.149 0.157

SB -0.523 -0.148 0.019 3.013 0.599 -0.165 -0.148 -1.466 0.801

SM 0.014 -0.056 0.027 2.599 2.335 -0.113 -0.380 0.399 -0.506

SE 0.004 0.010 0.001 0.563 1.051 0.282 -0.157 0.083 -0.053

LB 0.394 -0.024 -0.285 -0.222 0.022 0.021 0.183 0.770 0.430

LM 0.544 -0.326 0.114 0.571 0.571 0.177 1.147 0.755 0.230

LE 0.176 -0.592 -0.254 0.209 -0.219 0.041 -0.096 1.038 0.021

 Val-Thr

        HB HM HE SB SM SE LB LM LE

HB -0.588 -0.713 0.277 0.164 0.099 0.004 0.105 -1.563 -0.839

HM 1.591 -0.676 -1.281 0.091 -0.527 0.012 0.526 -1.189 -0.535

HE 0.117 1.800 1.061 0.018 0.061 0.002 0.043 0.045 0.134

SB 0.324 -0.992 -0.019 -0.735 -3.316 -1.539 -1.169 -1.059 -0.340

SM 0.089 -0.036 0.024 0.561 -3.682 -1.893 0.660 -0.190 0.128

SE 0.005 0.014 0.002 -1.317 0.520 -0.972 0.024 -1.122 0.042

LB 0.419 0.483 0.134 -0.114 0.063 0.126 -1.031 -1.349 0.276

LM 0.368 0.581 0.189 -0.259 -0.134 -0.413 1.298 1.022 -0.986

LE -0.022 -0.811 -0.289 1.030 -0.065 0.017 0.354 0.524 0.211

 Val-Ser

        HB HM HE SB SM SE LB LM LE

HB -0.069 2.477 0.382 0.000 -0.133 -0.043 -0.308 1.391 -0.991

HM 1.779 -0.603 0.448 0.104 -0.368 0.015 0.432 -0.718 1.152

HE 0.106 0.365 0.135 0.023 0.036 0.001 0.047 0.203 0.253

SB -1.977 -0.083 -0.790 -0.681 -2.897 0.049 -0.158 -0.396 -0.668

SM 0.072 0.308 0.048 0.439 -2.204 0.170 0.541 -0.547 -0.035

SE 0.005 0.016 0.001 -0.354 -0.342 0.190 0.063 -1.352 0.014

LB -0.205 -0.378 -0.028 -0.053 -0.160 -0.089 -0.047 -1.162 0.290

LM 0.126 1.071 0.171 -0.775 0.223 0.215 -0.273 0.949 -0.724

LE -0.285 1.313 0.257 0.401 0.346 0.035 0.310 -0.500 0.379

 Val-Arg

        HB HM HE SB SM SE LB LM LE

HB 0.218 -1.094 -0.360 0.063 -0.186 0.143 0.755 -0.016 0.157

HM 0.924 -2.793 -3.551 0.083 -0.017 0.012 0.562 0.234 -0.489

HE 0.212 0.954 3.845 0.011 0.022 0.001 0.035 0.158 0.120

SB 0.038 -1.062 -0.537 2.001 -3.705 -4.674 0.899 -2.188 -1.118

SM 0.056 -1.237 -0.002 1.890 -7.193 -2.222 0.266 -0.420 -1.273

SE 0.003 0.012 0.001 -0.589 -0.445 -0.077 0.044 0.141 -0.797

LB 0.592 -2.595 -0.128 0.433 -0.134 -0.195 1.828 -1.089 -1.526

LM -0.227 0.447 0.249 0.408 0.151 -0.024 1.805 -0.764 0.644

LE 0.163 0.356 0.263 0.390 0.239 0.040 0.266 0.573 0.300

 Val-Gln

        HB HM HE SB SM SE LB LM LE

HB 1.053 -1.116 -0.295 -0.001 0.203 0.003 0.780 0.191 0.220

HM 1.567 -1.705 -0.871 0.066 0.053 -0.030 0.398 0.216 -2.587

HE 0.194 2.220 1.141 0.011 0.017 0.002 0.032 -0.021 -0.006

SB -0.241 -0.370 0.013 2.728 -4.942 -1.412 -0.287 -1.088 -0.819

SM 0.045 -0.201 0.159 1.498 -1.340 -1.407 0.509 -2.304 -0.746

SE 0.003 0.008 0.002 0.619 0.552 0.015 0.014 -0.530 -0.399

LB 0.134 -0.726 -0.041 -0.124 -0.950 -0.420 -0.164 -1.961 0.046

LM 0.225 0.186 0.045 0.834 0.556 0.052 0.111 0.034 0.626

LE 0.284 0.868 0.055 0.340 -0.048 0.027 0.126 0.429 0.336

 Val-Asp

        HB HM HE SB SM SE LB LM LE

HB 1.409 2.519 -0.184 -0.031 0.107 0.005 0.385 -0.038 0.538

HM 2.412 2.970 0.543 0.234 0.189 0.011 0.935 -0.262 0.566

HE 0.187 2.470 0.728 0.012 0.028 0.001 0.179 0.140 -1.487

SB -0.373 -0.943 -0.108 1.477 -0.340 0.292 0.141 -2.820 -0.832

SM 0.095 0.013 0.043 2.567 2.415 0.364 -0.034 -1.279 -0.406

SE 0.005 0.011 0.001 -0.355 -1.068 0.187 -0.535 -0.011 0.117

LB -0.371 -0.532 0.108 0.517 0.532 0.020 0.847 0.480 -0.311

LM 0.079 0.332 -1.251 0.934 0.466 0.099 1.716 -1.826 -1.543

LE 0.147 0.346 -0.123 0.135 0.101 0.041 0.139 0.125 0.416

 Val-Lys

        HB HM HE SB SM SE LB LM LE

HB 3.657 -0.918 -2.330 0.341 -0.038 -0.185 0.752 0.466 -0.448

HM 1.673 0.378 -0.863 -0.142 0.682 0.112 0.949 0.184 0.281

HE 0.266 2.219 -0.652 0.015 0.110 0.002 0.034 0.120 0.039

SB 0.024 -0.389 -0.556 3.790 -2.573 -4.266 1.429 0.078 -0.554

SM 0.116 0.176 0.035 2.007 -3.889 -3.401 0.513 0.610 -2.985

SE 0.004 0.014 0.002 0.502 0.280 -1.528 0.017 0.196 0.026

LB 1.037 -0.911 1.107 0.037 -0.492 0.005 1.804 -3.069 -0.513

LM 0.581 0.932 -0.287 1.110 -0.958 0.188 1.646 1.036 -0.601

LE 0.145 0.525 0.117 0.196 0.016 -0.059 0.453 0.366 -0.022

 Val-Glu

        HB HM HE SB SM SE LB LM LE

HB 1.129 2.330 -0.210 0.255 -0.162 0.005 1.420 0.684 -0.326

HM 2.478 1.108 -4.174 0.436 -0.062 -0.012 0.549 1.552 -1.475

HE 0.313 2.534 1.943 0.019 0.136 0.002 0.039 0.284 0.165

SB -0.376 -0.222 0.137 1.050 -3.740 -2.467 1.709 -1.322 -1.154

SM 0.060 -0.178 0.026 2.773 -0.911 -0.691 0.535 -0.784 -0.255

SE 0.005 -0.241 0.002 0.430 0.299 -0.240 0.124 0.108 0.036

LB 0.263 -0.040 0.013 -0.224 0.391 0.058 0.926 -1.853 -0.102

LM 0.561 0.366 0.334 0.712 -0.198 0.088 1.732 0.527 -0.763

LE 0.456 0.625 0.135 0.240 -0.273 0.036 0.201 1.310 0.706

 Ile-Ile

        HB HM HE SB SM SE LB LM LE

HB -1.500 0.827 -0.779 -0.177 -0.237 0.004 0.420 -0.771 0.536

HM -0.550 -3.222 -0.127 -0.087 0.010 -0.131 0.665 0.522

HE 1.075 0.011 0.017 0.002 0.064 0.177 0.129

SB -5.107 -1.851 -0.221 -0.907 0.587 0.171

SM -0.710 0.473 0.235 0.549 0.175

SE 0.043 0.010 0.049 0.021

LB -0.904 0.708 0.211

LM 0.479 0.533

LE 0.144

 Ile-Met

        HB HM HE SB SM SE LB LM LE

HB -0.677 -1.623 0.176 -0.036 -0.067 0.001 -0.114 0.095 -0.026

HM -1.772 -3.427 -0.280 0.021 0.023 0.003 0.295 0.513 0.080

HE -0.476 -0.543 0.533 0.003 0.008 0.000 0.009 0.052 0.148

SB -0.029 0.026 0.003 -3.836 -1.025 -0.536 -0.344 -0.486 -0.257

SM -0.152 0.205 0.007 0.447 -1.340 0.705 0.387 -0.437 -0.060

SE 0.003 0.003 0.000 0.052 0.148 0.034 0.005 0.023 0.010

LB -0.469 -0.226 0.011 -0.432 -0.024 0.546 -0.126 0.262 -0.644

LM 0.185 -0.134 0.028 0.191 0.248 0.024 -0.321 -0.991 0.308

LE 0.175 0.115 -0.034 -0.036 0.042 0.010 0.073 -0.365 0.134

 Ile-His

        HB HM HE SB SM SE LB LM LE

HB -0.841 -0.917 -0.424 0.072 0.003 0.001 0.386 -0.599 0.184

HM 1.380 -1.048 0.438 0.033 0.020 0.006 0.321 0.249 0.182

HE -1.018 0.847 1.174 0.005 0.009 0.001 0.013 0.175 0.021

SB -0.172 -0.143 0.005 -1.936 -2.509 -0.301 0.479 -0.516 -0.278

SM 0.039 0.148 0.009 0.416 -0.608 -0.968 0.259 0.172 0.097

SE 0.001 0.006 0.001 0.058 0.405 0.030 0.022 0.020 0.007

LB 0.093 -0.346 0.013 0.375 0.259 0.005 0.328 0.743 0.204

LM 1.127 -0.605 0.139 0.182 0.350 0.017 0.228 -0.593 0.062

LE -0.038 0.176 -0.220 0.131 0.040 0.007 -0.003 0.148 -0.159

 Ile-Tyr

        HB HM HE SB SM SE LB LM LE

HB -3.487 -3.743 0.272 -0.370 -0.013 0.002 -0.138 -1.593 -0.280

HM -0.043 -0.389 0.356 0.049 0.286 0.005 0.056 0.453 0.354

HE 0.312 1.750 0.640 0.006 0.120 0.001 0.020 0.083 0.196

SB 0.133 -0.863 0.006 -4.331 -7.121 -2.336 -1.324 -0.635 -0.191

SM 0.045 -0.425 0.009 -1.566 -2.217 -2.802 0.427 -0.449 0.228

SE 0.002 0.004 0.001 -0.774 0.274 0.077 0.008 0.044 0.155

LB 0.430 -0.341 0.019 -0.313 0.088 0.008 -0.727 -1.106 -0.637

LM 0.572 0.169 0.082 0.315 -0.364 0.043 0.938 1.206 -0.310

LE -0.796 0.094 0.062 -0.129 -0.017 0.023 0.110 0.672 0.201

 Ile-Ala

        HB HM HE SB SM SE LB LM LE

HB -8.970 0.096 1.136 0.125 -0.180 0.005 0.106 -0.630 -0.095

HM -5.938 -0.459 -0.347 0.365 0.132 0.011 0.399 0.908 -0.102

HE -1.091 1.945 2.927 0.048 0.020 0.001 -0.003 0.511 -0.330

SB -0.428 -0.127 0.013 -3.852 -0.756 0.267 -0.954 0.208 0.126

SM -1.540 -0.585 0.033 -1.626 0.117 0.107 -0.892 0.462 0.681

SE -0.140 0.013 0.001 -0.224 0.335 0.138 0.016 -0.042 0.032

LB -5.840 -1.412 -0.028 -0.401 0.460 0.016 -1.355 -0.198 0.348

LM -2.163 -2.010 0.162 -0.922 0.566 0.062 -0.275 -0.316 0.299

LE 1.127 -0.528 0.343 0.249 0.289 -0.218 0.369 0.283 0.247

 Ile-gly

        HB HM HE SB SM SE LB LM LE

HB 3.001 3.721 1.259 -0.197 0.008 0.006 -0.668 -1.961 0.288

HM -3.145 0.266 1.364 -0.058 0.073 0.014 -0.278 -0.560 -0.314

HE 0.195 0.232 0.774 0.009 0.017 0.002 0.032 0.193 -0.732

SB -0.916 0.190 0.010 -1.634 1.172 1.134 0.427 -1.032 -0.627

SM -0.432 -0.866 0.015 1.450 2.256 0.909 -1.451 -0.117 -0.274

SE 0.003 0.013 0.002 -0.804 -0.340 0.212 0.015 -0.198 -0.129

LB 0.139 0.170 -0.030 0.035 0.531 0.126 -0.052 0.617 -0.355

LM 0.904 0.110 -0.264 0.713 0.408 0.070 -0.304 1.395 1.313

LE 0.839 0.072 0.116 0.190 0.479 0.036 -0.453 0.113 0.532

 Ile-Pro

        HB HM HE SB SM SE LB LM LE

HB 2.571 0.152 -0.163 0.105 0.031 0.003 0.561 -2.908 -0.174

HM 1.472 2.096 -0.623 0.177 0.052 0.008 0.257 0.284 0.318

HE 0.180 0.323 0.858 0.011 -1.522 0.001 0.024 0.189 0.106

SB 0.105 -1.068 -0.102 2.099 1.272 -0.272 -0.274 -3.253 -0.785

SM 0.145 0.052 0.017 1.921 1.115 1.003 0.012 -0.108 -0.411

SE 0.005 0.008 0.001 0.220 0.207 -0.166 0.053 0.051 0.120

LB -0.002 0.406 -0.681 0.760 0.196 -0.023 1.259 -1.052 -0.122

LM 0.321 -0.186 0.109 0.192 0.445 0.050 0.758 0.459 0.547

LE 0.104 0.356 0.077 0.127 0.140 0.023 0.334 0.582 0.269

 Ile-asn

        HB HM HE SB SM SE LB LM LE

HB 1.117 0.345 -2.536 0.151 0.263 0.003 -0.555 -0.219 0.189

HM 0.368 -0.966 0.857 0.075 -0.021 0.008 0.435 1.160 -0.963

HE 0.123 1.534 1.012 0.012 0.018 0.001 0.027 0.110 -0.299

SB 0.478 -0.262 0.010 3.133 -0.536 0.393 -0.553 -2.246 -0.644

SM -0.014 -0.352 0.019 1.699 0.166 -0.707 0.380 -0.114 -0.399

SE 0.003 0.008 0.001 0.561 -0.632 0.087 0.012 0.087 0.029

LB -0.448 -0.150 -0.514 -0.181 0.056 0.011 0.186 -0.063 0.448

LM 0.730 -0.047 -0.226 0.398 -0.101 0.258 0.476 0.642 0.713

LE 0.071 0.698 0.184 0.369 0.412 0.029 0.062 0.750 0.729

 Ile-Thr

        HB HM HE SB SM SE LB LM LE

HB -3.981 -0.633 -0.043 0.335 0.195 0.003 0.818 -0.136 0.548

HM -2.495 -0.587 -0.506 0.211 0.066 0.009 0.365 0.411 -0.256

HE 0.396 2.704 0.255 0.099 0.050 0.002 0.029 0.254 0.627

SB -0.377 0.367 0.012 -0.560 -2.130 -1.258 -0.609 -2.640 0.086

SM 0.047 0.133 0.016 -0.237 -1.519 -0.442 -0.047 0.420 0.376

SE 0.003 0.010 0.002 0.484 0.179 -0.556 -0.057 0.078 0.028

LB 0.002 -1.399 0.053 0.047 -0.282 0.052 0.752 -1.745 -0.646

LM 0.786 0.678 0.142 0.058 0.370 -0.015 0.748 1.891 0.074

LE 0.075 0.545 0.369 -0.524 0.380 0.028 0.292 -0.488 0.205

 Ile-Ser

        HB HM HE SB SM SE LB LM LE

HB 0.475 1.418 0.447 -1.095 -0.391 -0.248 -0.180 -1.340 -0.236

HM -1.380 0.662 2.774 0.160 0.272 0.011 -0.216 1.618 0.605

HE 0.364 1.495 1.182 0.017 0.026 0.001 0.093 -0.448 0.378

SB -0.593 -0.118 0.024 -1.636 0.233 -0.640 -1.155 -0.774 -0.201

SM 0.060 0.187 0.025 1.137 -0.708 -0.959 0.182 -0.271 -0.383

SE -0.087 0.012 0.001 -0.354 -0.264 0.279 0.017 -0.090 0.070

LB 0.019 -4.174 0.035 0.452 -0.184 0.020 -0.234 -4.447 -1.631

LM -1.101 -0.299 0.222 -0.025 0.590 0.075 -0.479 1.986 0.797

LE 0.160 0.311 0.537 0.276 0.530 0.034 -0.195 1.532 0.553

 Ile-Arg

        HB HM HE SB SM SE LB LM LE

HB 3.300 -4.621 -0.126 0.243 -0.363 -0.002 0.707 0.259 0.283

HM 0.794 1.074 -3.477 0.062 -0.105 0.009 0.306 -0.426 0.410

HE 0.410 2.364 -2.719 0.008 0.035 0.001 0.133 0.162 0.151

SB 0.229 -0.737 -0.138 0.582 -1.886 -1.989 0.504 -2.107 -0.615

SM 0.177 -0.019 -0.124 1.342 0.002 -1.618 0.521 0.100 -1.281

SE 0.003 0.009 0.001 0.329 -0.048 -0.363 0.012 0.118 0.484

LB -0.542 -1.577 0.116 0.603 -0.138 -0.131 1.315 -0.979 -0.051

LM 0.533 -0.250 0.297 0.439 0.267 -0.244 1.780 1.922 0.153

LE 0.215 1.273 1.784 -0.089 0.362 0.026 0.270 0.758 0.152

 Ile-Gln

        HB HM HE SB SM SE LB LM LE

HB -0.254 1.691 -1.275 0.311 0.151 0.003 0.304 0.473 -0.074

HM 1.071 0.797 -0.465 0.070 0.039 0.006 0.432 0.415 0.287

HE -0.880 -0.568 -2.445 0.008 0.011 0.002 0.022 0.094 0.123

SB 0.098 -0.401 0.007 1.112 -1.806 -0.801 0.993 -0.606 -0.372

SM 0.073 0.420 0.012 -1.529 1.045 0.690 0.678 0.179 0.049

SE 0.003 0.006 0.002 0.227 -0.397 0.135 0.008 0.105 0.020

LB -1.041 -0.519 0.236 0.423 -0.767 0.054 1.506 0.526 -0.667

LM 0.466 -0.966 0.087 0.588 0.200 0.035 0.471 1.560 -1.220

LE 0.100 1.070 0.483 0.234 0.114 0.020 0.282 0.389 0.173

 Ile-Asp

        HB HM HE SB SM SE LB LM LE

HB 2.773 2.375 0.801 0.275 0.052 0.003 0.801 -1.230 -1.450

HM 1.087 -0.054 3.002 0.103 0.063 0.008 0.589 0.868 -1.305

HE 0.308 1.757 2.380 0.010 0.019 0.001 0.053 -0.271 0.144

SB -0.754 -0.147 0.009 2.859 -0.404 0.377 0.244 -1.403 -0.130

SM -0.345 -0.556 0.019 1.453 0.345 0.995 0.517 0.571 0.085

SE 0.003 0.009 0.001 0.813 0.705 0.105 0.014 0.318 0.012

LB -1.023 0.192 0.027 0.633 -0.663 0.013 0.727 -3.111 -0.629

LM 0.364 0.683 -0.052 1.243 -0.151 -1.011 1.168 1.170 0.616

LE 0.132 0.304 -0.091 0.214 0.248 0.027 -0.214 1.010 0.296

 Ile-Lys

        HB HM HE SB SM SE LB LM LE

HB 3.536 -3.016 -0.130 0.262 -0.018 -0.119 0.989 1.321 -1.713

HM 1.159 -0.754 0.364 0.080 0.331 0.011 0.499 -0.029 0.099

HE 0.773 2.512 3.089 0.010 0.020 0.002 0.028 0.563 0.158

SB 0.512 0.103 0.192 3.306 -1.796 -3.001 1.468 0.103 -3.625

SM 0.047 0.045 0.020 2.349 -1.635 -1.948 0.330 -1.023 -0.102

SE 0.005 0.010 0.002 0.356 0.118 -1.562 0.011 -0.099 -0.048

LB 0.470 -0.070 -0.319 0.398 -0.265 0.014 1.577 -4.018 -1.138

LM 0.555 0.016 -0.214 0.663 0.800 0.108 1.336 1.177 0.996

LE 0.183 0.980 0.086 0.415 0.218 0.028 0.471 0.862 0.167

 Ile-Glu

        HB HM HE SB SM SE LB LM LE

HB 0.659 1.552 1.218 0.041 0.005 0.023 0.770 0.349 0.260

HM -0.897 -0.832 0.532 0.179 -0.410 0.010 0.549 1.019 0.741

HE -0.046 2.218 -0.233 0.011 0.133 0.002 0.029 0.333 -0.713

SB 0.268 -1.420 -0.084 1.149 -4.530 -1.075 0.627 -0.251 -1.153

SM 0.492 -0.078 -0.204 1.760 0.196 -1.830 0.278 -0.381 -1.503

SE 0.004 -0.120 0.002 0.189 0.438 0.103 0.022 0.073 -0.121

LB -0.351 -0.060 -0.643 0.738 -0.210 -0.008 1.825 -0.998 0.553

LM -0.411 0.129 0.388 0.577 0.300 0.056 1.975 2.447 1.229

LE 0.511 1.307 0.394 0.173 0.187 0.024 0.270 0.792 0.383

 Met-met

        HB HM HE SB SM SE LB LM LE

HB -0.981 0.591 0.044 -0.073 0.008 0.001 0.035 -0.120 0.025

HM -1.529 -0.287 0.539 0.008 0.001 -0.457 -0.179 -0.873

HE 0.144 0.001 0.003 0.000 0.003 0.029 0.021

SB 0.119 -1.469 0.028 -0.064 -0.760 0.094

SM -0.007 -0.341 0.065 0.079 0.121

SE 0.006 0.003 0.009 0.004

LB 0.089 0.333 0.027

LM 0.060 0.164

LE 0.022

 Met-his

        HB HM HE SB SM SE LB LM LE

HB -0.794 -0.805 -0.001 0.034 0.043 0.001 0.235 -0.311 0.027

HM 0.499 -0.888 -0.215 0.106 0.012 0.001 0.066 0.115 0.088

HE 0.196 0.129 0.274 0.002 0.004 0.000 0.006 0.032 0.027

SB 0.114 -0.361 0.002 -0.417 0.141 -0.575 0.002 0.424 0.020

SM 0.008 0.011 0.004 0.117 -0.204 0.039 0.028 0.245 -0.083

SE 0.001 0.001 0.000 0.054 0.561 0.067 0.003 0.030 0.003

LB 0.058 -0.369 0.005 -0.195 -0.026 0.035 0.029 -0.718 -0.040

LM -0.036 -0.430 0.056 -0.165 -0.450 0.136 0.296 0.213 -0.027

LE 0.026 -0.232 0.026 0.020 -0.320 0.003 -0.019 -1.294 0.196

 Met-tyr

        HB HM HE SB SM SE LB LM LE

HB -0.676 -2.639 0.307 -0.161 -0.177 0.001 -0.050 -0.359 0.197

HM -0.970 -1.754 0.449 0.020 0.064 0.001 -0.126 0.373 0.096

HE 0.050 1.208 0.556 0.004 0.004 0.000 0.007 -0.301 0.025

SB -0.002 0.019 0.002 -0.208 -0.883 0.150 -0.128 0.177 0.038

SM 0.011 0.017 -0.517 0.121 -0.726 0.213 0.240 0.283 0.049

SE 0.001 0.002 0.000 0.062 0.432 0.030 0.004 -0.016 0.011

LB 0.212 -1.356 0.006 -0.271 0.017 0.004 0.626 -1.126 0.060

LM -0.032 0.210 0.036 -0.172 0.148 0.018 -0.075 0.111 -0.281

LE 0.035 0.130 0.025 0.038 -0.061 0.010 0.089 0.432 -1.892

 Met-ala

        HB HM HE SB SM SE LB LM LE

HB -3.199 0.345 0.480 -0.568 0.326 0.002 0.025 -0.489 0.103

HM -2.259 -2.939 2.354 0.033 0.030 0.004 -0.654 -0.356 0.172

HE 0.156 1.309 0.863 0.004 0.009 0.000 0.014 -0.311 0.066

SB -0.919 0.156 0.004 -0.946 -0.549 -0.112 0.033 0.242 0.077

SM -0.065 -0.726 0.009 0.957 1.430 -0.012 0.093 -1.774 -0.131

SE 0.039 0.004 0.000 0.205 0.297 0.039 -0.123 0.027 0.014

LB -0.240 0.150 0.014 0.388 0.100 0.008 0.596 -0.244 0.050

LM -1.680 -0.086 0.072 -0.669 0.138 0.026 0.255 -0.047 0.433

LE 0.259 0.198 -0.579 -0.011 0.120 0.045 -0.119 0.095 0.202

 Met-gly

        HB HM HE SB SM SE LB LM LE

HB -1.313 -0.012 0.093 -0.180 0.045 0.003 -0.099 -0.142 0.355

HM 1.140 0.706 0.022 -0.008 -0.117 0.005 -0.196 -0.082 0.411

HE -0.101 -1.173 0.090 0.004 0.007 0.000 0.112 0.279 -0.188

SB 0.133 0.031 0.003 -0.629 0.787 0.137 -0.231 -0.630 0.086

SM 0.002 -0.315 -0.071 0.378 1.141 0.145 0.095 -0.210 -0.560

SE 0.001 0.004 0.000 0.465 0.305 0.053 0.007 0.139 0.557

LB -0.130 -0.052 0.012 0.295 0.268 0.031 -1.410 0.986 -0.510

LM -0.032 0.374 0.066 0.315 0.169 0.051 -0.033 1.353 0.119

LE 0.059 0.226 0.064 0.455 -0.075 0.015 -0.156 0.305 0.132

 Met-pro

        HB HM HE SB SM SE LB LM LE

HB 0.949 0.518 0.223 -0.422 0.380 0.001 -0.340 -1.273 0.061

HM 1.000 0.477 0.002 0.022 0.020 0.002 0.000 -0.284 -0.326

HE 0.067 0.816 0.339 0.003 0.007 0.000 0.009 0.306 0.033

SB 0.010 0.185 0.005 1.273 -0.486 0.239 -0.011 -0.643 0.080

SM 0.015 0.021 -0.005 0.353 0.578 -0.156 0.053 -0.710 0.073

SE 0.001 0.003 0.000 0.094 0.134 0.034 0.006 0.018 0.010

LB -0.338 0.219 -0.156 0.324 0.056 0.006 0.095 0.277 -0.628

LM 0.180 0.293 0.050 0.248 -0.030 0.022 -0.010 0.572 -0.197

LE 0.044 -0.098 0.150 0.260 0.059 0.010 -0.015 0.280 0.053

 Met-asn

        HB HM HE SB SM SE LB LM LE

HB 0.357 -0.822 0.159 -0.118 -0.150 0.001 0.454 -0.220 -0.469

HM 0.167 0.287 0.702 0.025 0.106 0.004 0.129 -0.714 -0.249

HE 0.066 0.394 0.398 0.005 0.008 0.000 0.009 -0.063 0.031

SB 0.065 0.131 0.005 0.068 0.258 -0.218 -0.237 0.301 0.441

SM 0.019 0.157 0.008 0.408 0.241 0.399 0.061 -0.338 0.089

SE 0.002 0.002 0.000 0.516 0.291 0.037 0.006 0.037 0.011

LB -0.011 -0.174 0.061 0.530 0.099 0.006 0.708 0.425 0.054

LM -0.142 -0.256 0.047 0.171 -0.001 -0.074 -0.548 1.097 -0.756

LE 0.046 0.125 -0.500 0.049 0.380 0.013 0.074 0.658 0.105

 Met-thr

        HB HM HE SB SM SE LB LM LE

HB -1.147 3.307 0.132 0.303 0.019 0.001 0.105 -0.170 -0.082

HM 0.689 0.847 -3.636 0.119 0.024 -0.039 0.023 -0.022 0.128

HE 0.083 0.730 0.525 0.004 0.053 0.000 0.045 -0.001 0.047

SB 0.257 0.137 0.004 -1.662 0.881 0.574 -0.401 0.276 -0.081

SM 0.017 0.101 0.007 -0.112 -1.560 -0.692 0.096 -0.245 0.063

SE 0.001 0.003 0.000 0.188 -0.208 0.035 0.006 0.143 0.011

LB 0.264 0.318 0.009 0.112 0.382 0.006 -0.401 -0.406 0.698

LM -0.151 0.098 0.055 0.326 -0.741 -0.035 -0.574 -0.001 0.013

LE 0.091 0.162 0.048 0.140 -0.001 0.012 0.083 0.132 0.253

 Met-ser

        HB HM HE SB SM SE LB LM LE

HB -0.746 -0.326 -0.254 0.282 0.048 0.001 -0.383 0.284 0.143

HM 1.168 -2.378 1.880 0.031 -0.074 0.003 -0.226 -1.040 -0.098

HE 0.107 0.355 -0.417 0.006 0.011 0.000 0.013 -0.165 0.163

SB -0.037 0.172 0.005 -0.991 -0.437 -0.313 -0.088 0.261 0.063

SM 0.020 0.032 0.011 1.003 -1.259 0.491 -0.008 0.121 -0.152

SE 0.001 0.020 0.000 0.729 0.423 0.159 0.008 0.032 0.015

LB -0.983 -0.350 -0.057 0.083 0.085 0.008 0.242 -0.076 -0.188

LM -1.878 0.143 0.395 -0.755 -0.128 0.032 0.186 0.121 0.831

LE -0.225 0.571 0.065 -0.597 -0.219 0.015 -0.070 0.496 0.457

 Met-arg

        HB HM HE SB SM SE LB LM LE

HB 0.981 -1.532 -0.327 0.155 0.017 0.001 0.253 -0.680 -0.519

HM -0.385 -2.010 0.578 0.026 0.024 0.003 0.139 0.134 0.088

HE 0.182 0.098 0.395 0.003 0.007 0.000 0.009 0.149 0.051

SB -0.258 0.030 0.002 0.828 -0.863 0.013 -0.104 0.471 0.168

SM 0.019 0.003 0.008 0.452 -0.466 -0.237 0.101 -0.155 0.076

SE 0.001 0.003 0.000 0.141 0.437 0.040 0.005 0.026 0.046

LB 0.037 0.644 -0.195 0.294 -0.006 0.005 0.654 -0.586 -0.346

LM 0.248 0.438 0.012 -0.110 -0.147 0.050 0.410 0.205 0.403

LE 0.054 0.176 0.121 0.142 -0.777 0.012 0.338 0.114 -0.506

 Met-gln

        HB HM HE SB SM SE LB LM LE

HB 0.192 0.890 -0.424 -0.074 0.015 0.001 0.355 0.689 -0.281

HM 0.782 -0.238 0.114 0.251 -0.182 0.005 0.274 0.220 0.358

HE 0.166 0.437 -0.011 0.003 0.005 0.000 0.008 0.005 0.220

SB 0.046 0.186 0.003 -0.599 -0.598 -0.378 -0.189 0.461 0.031

SM 0.014 0.123 0.005 0.619 -0.764 -0.618 0.101 0.143 -0.290

SE 0.001 0.002 0.000 -0.327 -0.096 0.024 0.004 0.015 0.009

LB 0.046 0.033 -0.983 0.151 0.043 0.004 0.432 -0.595 0.159

LM 0.259 0.102 0.044 0.108 -0.038 0.048 0.104 0.312 0.262

LE -0.278 -0.277 0.044 0.032 0.110 0.009 0.117 0.028 -0.440

 Met-asp

        HB HM HE SB SM SE LB LM LE

HB 0.074 0.617 -0.233 0.079 0.019 0.001 1.058 -0.804 -0.193

HM 1.254 0.470 0.681 0.030 0.131 0.003 0.157 -0.389 0.396

HE 0.098 0.971 0.599 0.003 0.010 0.000 0.012 0.092 -0.020

SB 0.049 0.029 0.004 1.084 -0.587 -0.062 -0.789 -0.408 0.429

SM -0.039 0.030 0.010 0.170 0.378 0.277 0.102 -0.744 -0.128

SE 0.002 0.003 0.000 0.080 -0.133 -0.161 0.006 0.031 0.013

LB 0.005 -1.125 0.011 0.433 0.108 0.006 0.827 -0.609 0.027

LM -0.014 0.706 0.053 0.915 0.012 0.029 0.451 0.736 -0.593

LE 0.056 0.077 0.055 0.048 -0.409 0.013 0.221 -1.773 -1.464

 Met-lys

        HB HM HE SB SM SE LB LM LE

HB 0.448 -1.493 -0.038 0.068 0.019 0.001 0.562 -0.301 0.014

HM 1.475 -0.574 -1.684 0.028 -0.041 -0.025 0.274 0.565 -0.737

HE 0.091 0.251 0.916 0.004 0.009 0.000 0.047 0.110 0.192

SB 0.004 0.028 0.128 1.219 0.180 -0.358 0.122 -0.318 -1.046

SM 0.021 -0.046 0.175 0.763 -1.632 -0.913 0.204 0.231 -0.137

SE 0.001 0.002 0.000 0.090 0.354 -0.159 0.005 0.032 0.014

LB -0.038 -0.800 -0.838 0.567 -0.068 0.005 0.258 0.675 0.085

LM 0.252 0.859 0.074 0.208 -0.300 -0.232 0.521 0.543 -0.289

LE 0.055 -1.523 0.102 -0.005 0.124 -0.371 0.094 0.185 0.171

 Met-glu

        HB HM HE SB SM SE LB LM LE

HB 1.176 0.569 0.066 0.075 0.019 0.001 0.580 0.156 -0.174

HM 1.283 0.112 0.290 0.031 0.010 0.003 0.135 0.167 -1.327

HE 0.099 1.143 1.078 0.005 0.009 0.000 0.010 0.299 -0.270

SB 0.073 -0.110 0.004 -0.374 -1.199 -0.061 0.178 0.002 -0.056

SM 0.081 -0.078 0.008 0.153 0.254 -0.159 0.212 -0.318 -0.094

SE 0.001 -0.126 0.000 0.094 -0.102 0.038 0.007 0.022 0.010

LB -0.564 0.123 0.013 0.130 -0.176 0.115 0.113 0.229 0.475

LM 0.047 -0.762 0.229 0.472 -0.015 0.022 0.411 0.402 -0.106

LE 0.066 -1.113 -0.180 0.052 -0.084 0.009 0.211 -0.059 -0.166

 His-His

        HB HM HE SB SM SE LB LM LE

HB 1.073 0.694 0.057 0.049 -0.471 0.002 0.122 -0.355 0.122

HM -1.774 1.091 0.128 0.029 0.003 0.129 -0.911 -0.343

HE -0.001 0.003 0.008 0.000 0.075 0.126 0.061

SB 0.371 0.732 0.062 -0.042 0.293 0.170

SM -0.012 -0.335 -0.002 -0.477 -0.164

SE 0.011 0.004 0.012 0.006

LB -0.364 0.202 0.108

LM 0.099 0.084

LE 0.112

 His-Tyr

        HB HM HE SB SM SE LB LM LE

HB 0.437 0.180 0.087 -0.012 -0.054 0.001 0.201 0.088 0.053

HM -0.818 -0.578 -0.664 0.465 -0.028 0.002 -0.152 0.220 0.275

HE 0.150 -1.084 0.529 0.003 0.005 0.000 0.011 0.048 0.048

SB -0.150 -0.345 0.002 0.965 -0.080 0.094 0.050 -0.277 0.096

SM 0.013 0.097 0.005 -1.251 -2.098 0.227 0.064 0.443 0.057

SE 0.001 0.002 0.000 0.066 0.192 0.024 0.004 0.014 0.007

LB 0.359 0.174 0.010 0.521 -0.092 0.004 0.230 0.533 0.074

LM -0.209 0.212 0.044 0.025 -0.127 0.014 0.044 -0.855 -0.049

LE 0.181 -0.469 0.082 0.386 -0.171 0.006 0.204 0.052 0.101

 His-ala

        HB HM HE SB SM SE LB LM LE

HB 2.504 1.565 0.220 -0.533 0.067 0.003 0.506 -0.942 0.063

HM 1.651 -3.720 -0.001 0.022 0.075 0.106 0.021 -1.239 -0.345

HE 0.164 -3.792 0.104 0.005 0.003 0.000 -0.156 0.115 0.044

SB -0.003 -0.021 0.005 -0.274 1.168 0.241 -0.093 -0.091 -0.258

SM 0.023 0.600 0.013 -3.220 0.687 0.072 -0.861 0.156 -0.108

SE -0.144 -0.277 0.000 -0.499 0.513 0.052 0.009 -0.025 0.011

LB 0.361 0.488 0.069 0.041 -0.156 0.009 -0.054 0.701 0.162

LM -0.294 -0.548 0.117 0.290 0.546 0.022 -0.478 -0.831 0.304

LE -0.310 0.047 0.101 0.100 0.099 -0.002 -0.161 0.016 -0.345

 His-Gly

        HB HM HE SB SM SE LB LM LE

HB 2.516 1.127 0.106 0.488 0.025 0.001 0.065 0.161 -0.118

HM -1.874 1.415 0.587 0.050 0.064 0.007 -1.152 -0.851 0.253

HE -1.238 -1.054 0.105 -0.011 0.010 0.001 0.020 -0.103 0.127

SB -0.489 0.052 0.004 1.567 2.133 0.046 -0.021 -0.008 0.180

SM 0.027 0.074 0.011 -0.281 -0.929 -0.086 0.357 0.104 -0.210

SE 0.001 0.007 0.001 -0.033 -0.055 0.057 0.041 -0.107 0.013

LB 0.106 0.556 0.054 0.733 0.261 0.008 0.563 0.724 0.045

LM -0.365 0.251 0.091 0.112 -0.074 0.031 -1.844 -0.394 0.010

LE -0.864 0.095 0.141 0.100 -0.357 0.013 0.816 0.399 0.232

 His-pro

        HB HM HE SB SM SE LB LM LE

HB 1.113 0.734 0.164 -0.160 0.081 0.035 0.032 0.446 -0.082

HM 0.639 -0.264 0.064 0.036 0.023 0.004 0.103 -0.879 -0.139

HE -0.027 0.752 0.970 0.004 0.010 0.000 0.119 -0.038 -0.534

SB 0.069 0.495 0.004 0.960 1.170 -0.094 0.276 -0.125 -0.283

SM 0.020 0.073 0.010 0.719 0.598 -0.046 0.899 -0.974 -0.556

SE 0.001 0.005 0.000 0.124 0.405 0.117 0.007 0.021 0.025

LB 0.391 0.079 0.027 0.851 0.301 0.007 0.190 0.126 0.124

LM 0.345 -0.538 0.167 0.400 0.122 0.283 0.086 -0.579 -0.746

LE 0.053 0.170 0.049 0.069 -0.150 -0.159 -0.071 0.099 0.138

 His-Asn

        HB HM HE SB SM SE LB LM LE

HB 1.033 1.580 0.158 0.081 -0.030 0.001 -0.732 -0.112 0.051

HM -0.102 -1.605 0.701 -0.198 -0.098 0.006 0.139 -1.647 -0.129

HE 0.205 1.363 0.226 0.005 0.009 0.066 0.015 0.321 -0.378

SB 0.078 0.039 0.005 0.186 0.313 -0.149 0.054 -0.804 0.071

SM 0.021 -0.446 0.009 0.589 0.202 0.280 0.064 0.192 0.474

SE 0.001 0.005 0.000 0.218 0.128 0.163 0.007 0.020 0.010

LB 0.101 0.222 0.091 0.110 0.356 0.007 0.658 0.113 -0.129

LM 0.003 0.036 -0.576 -0.433 -0.570 -0.084 0.301 -0.960 -0.206

LE 0.051 0.048 -0.150 0.391 0.082 0.011 0.093 -0.905 0.157

 His-Thr

        HB HM HE SB SM SE LB LM LE

HB 1.894 1.557 0.021 -0.366 0.034 0.002 0.438 0.235 0.015

HM -2.882 -1.487 -0.518 -0.474 0.247 0.008 0.059 -0.254 0.172

HE 0.407 -0.498 0.362 -0.536 -0.101 0.001 0.014 -0.222 0.078

SB -0.037 0.036 0.004 1.481 0.834 0.144 0.184 0.857 -0.171

SM -0.114 0.127 0.011 -0.918 -1.257 -1.092 0.116 -0.140 -0.173

SE 0.002 0.005 0.001 0.290 -0.530 -0.069 0.007 0.020 0.010

LB 0.346 0.375 0.015 0.629 0.242 0.016 0.172 0.695 0.247

LM -0.071 -0.752 0.098 0.596 -0.100 0.021 -0.247 -0.737 0.245

LE -0.069 0.056 0.076 0.213 -0.591 0.332 0.082 -0.004 0.207

 His-ser

        HB HM HE SB SM SE LB LM LE

HB 2.370 1.778 0.355 0.101 0.027 0.001 0.757 0.343 0.348

HM -0.086 1.709 -1.719 0.258 0.047 0.006 -0.548 -0.313 0.219

HE -0.387 -0.473 -1.157 0.008 0.017 0.000 0.020 0.089 -0.471

SB 0.131 0.214 0.007 0.141 -0.207 0.280 0.312 0.175 0.111

SM 0.027 0.059 0.017 -0.390 -0.682 -0.843 -0.093 -0.244 -0.271

SE 0.002 0.005 0.000 0.217 -0.445 0.049 0.009 0.277 0.012

LB 0.061 -0.425 0.049 0.229 0.082 0.009 0.691 0.946 0.335

LM -0.124 -0.427 0.317 -0.038 -0.002 0.023 -1.826 -1.603 0.784

LE -0.706 0.134 0.222 -0.246 -0.150 0.012 -0.227 -1.925 0.196

 His-Arg

        HB HM HE SB SM SE LB LM LE

HB 2.052 1.773 0.078 0.055 0.020 0.001 0.525 0.105 0.009

HM 1.028 -0.203 0.235 0.038 0.031 0.007 0.271 -0.598 -2.422

HE 0.087 1.761 -2.284 0.003 -0.104 0.001 0.015 0.071 -0.582

SB 0.187 0.040 0.003 1.321 -0.489 -0.454 0.212 0.406 0.523

SM 0.021 0.025 0.085 1.166 -2.605 -0.674 0.077 0.436 0.210

SE 0.001 0.004 0.001 0.115 0.535 -0.042 0.007 0.148 -0.101

LB 0.268 -0.103 0.620 0.485 -0.097 0.008 0.483 -0.053 0.261

LM 0.221 0.078 -0.656 0.133 -0.069 0.020 0.882 0.147 -0.925

LE -0.115 0.035 -2.017 0.065 0.127 0.009 0.255 0.401 -0.350

 His-Gln

        HB HM HE SB SM SE LB LM LE

HB 0.693 0.668 0.367 0.056 0.015 0.001 0.237 0.015 0.050

HM 1.138 0.287 2.032 -0.003 -0.170 -0.025 0.218 0.397 0.143

HE 0.423 0.047 -0.800 0.003 0.007 0.001 0.012 0.051 -1.791

SB 0.133 0.059 0.003 0.338 0.581 0.075 0.201 0.547 0.079

SM 0.016 -0.061 0.007 1.151 0.477 -1.034 0.087 -0.118 -0.329

SE 0.001 -0.602 0.001 0.150 -0.230 0.021 0.005 0.015 0.008

LB 0.430 0.107 0.012 0.184 0.063 0.004 0.414 0.175 0.102

LM 0.329 -1.014 -0.969 0.085 -0.079 -0.089 -0.149 1.036 -0.787

LE -0.206 -0.101 -0.694 -0.012 0.031 0.008 0.086 0.061 0.280

 His-Asp

        HB HM HE SB SM SE LB LM LE

HB -0.016 2.493 -0.008 -0.249 0.085 0.001 -0.107 0.172 0.196

HM 0.580 -0.752 -1.131 0.040 -0.452 0.006 0.486 -1.586 -0.261

HE 0.094 2.079 0.117 0.003 0.009 0.000 0.015 0.073 0.040

SB 0.125 0.053 0.004 1.237 0.048 0.339 0.538 0.109 -0.090

SM -0.009 0.028 0.009 0.462 1.760 -0.660 -0.241 0.201 0.260

SE 0.001 0.005 0.000 0.642 0.352 -0.135 0.083 -0.220 0.008

LB 0.288 0.243 0.015 0.486 0.099 0.007 -0.504 0.289 0.120

LM -0.635 -0.071 -0.426 0.297 0.419 0.020 0.096 -1.127 0.408

LE 0.093 -0.758 0.031 0.062 -0.059 -0.004 -0.064 -0.832 0.030

 His-Lys

        HB HM HE SB SM SE LB LM LE

HB 1.355 2.020 -0.197 0.240 0.363 0.001 0.268 0.012 0.048

HM 1.649 -2.206 -0.410 0.206 0.198 -0.161 0.249 0.337 -2.389

HE 0.095 0.240 0.472 0.005 0.010 0.001 0.014 0.085 0.142

SB 0.510 0.139 0.005 1.411 -0.077 -0.036 0.315 0.248 -0.296

SM 0.022 -1.032 0.010 0.656 -0.674 -0.682 0.101 0.063 -1.839

SE 0.001 0.007 0.001 0.100 0.178 0.035 0.006 -0.003 -0.281

LB 0.387 0.363 -0.021 0.200 0.447 -0.002 0.833 0.588 0.372

LM 0.524 -0.182 0.245 0.215 0.319 -0.572 1.382 0.555 -1.844

LE 0.068 -1.186 -1.070 0.068 0.213 0.008 0.283 0.540 -0.443

 His-Glu

        HB HM HE SB SM SE LB LM LE

HB 0.936 1.420 0.089 0.088 0.022 0.001 0.455 -0.190 0.198

HM 0.709 0.996 2.557 0.040 0.102 0.008 0.470 0.542 -0.560

HE 0.177 -0.007 -0.833 0.006 -0.049 0.001 0.029 -0.075 -0.526

SB 0.071 -0.227 0.005 1.910 0.179 0.025 0.303 0.503 0.076

SM 0.062 0.038 0.011 0.608 0.287 0.112 -0.030 -0.109 -0.098

SE 0.001 0.008 0.001 -0.220 -0.089 0.056 0.063 0.024 0.010

LB 0.041 0.622 -0.018 -0.233 0.245 0.008 0.813 1.081 0.106

LM 0.089 -0.817 -0.057 0.347 -0.207 -0.350 0.886 -0.257 0.148

LE -0.120 0.039 0.078 -0.120 -0.161 0.010 0.125 0.076 0.311

 Tyr-Tyr

        HB HM HE SB SM SE LB LM LE

HB -1.023 0.627 -0.273 -0.109 0.023 0.001 0.145 -0.220 0.131

HM -1.266 0.098 0.047 -0.268 0.003 0.150 -0.854 0.111

HE 0.132 0.005 0.005 0.000 0.035 0.219 0.060

SB -0.965 -3.652 0.303 -0.503 -0.292 0.088

SM -2.987 -0.514 -0.454 -0.341 -0.138

SE 0.047 0.080 -0.161 -0.769

LB 0.075 -1.655 -0.067

LM -1.415 -0.672

LE -0.355

 Tyr-ala

        HB HM HE SB SM SE LB LM LE

HB -2.377 0.595 -0.111 -0.126 0.044 0.003 -0.241 0.601 0.034

HM -8.146 0.436 2.690 -0.184 0.053 0.005 -0.369 0.353 0.331

HE 0.437 0.199 1.847 0.007 0.021 0.000 0.024 0.106 0.090

SB -0.122 -0.247 0.007 0.357 1.613 -0.616 -0.322 -0.314 -0.048

SM -0.491 -1.293 0.026 -0.014 -1.307 0.569 -0.474 -2.208 -0.381

SE 0.004 0.005 0.000 -1.105 0.324 -0.650 -1.112 0.054 0.035

LB -2.014 0.392 0.054 0.504 0.091 0.014 -0.077 0.725 0.134

LM 0.263 -0.719 0.061 -0.565 0.936 0.054 -1.143 0.694 -1.432

LE 0.170 0.312 -0.158 0.164 0.239 0.035 0.215 0.860 -0.189

 Tyr-gly

        HB HM HE SB SM SE LB LM LE

HB -2.526 0.670 0.129 0.230 0.042 0.002 -0.905 -0.846 -0.304

HM -1.787 1.317 1.087 -0.058 0.065 0.067 -0.369 -0.686 0.280

HE -0.186 0.279 -0.046 0.008 0.011 0.001 0.028 0.115 0.318

SB -0.308 -0.136 0.006 1.086 -0.074 0.618 -0.754 -0.703 1.060

SM 0.040 -0.982 -0.087 -4.263 -3.379 0.521 -0.991 -1.196 -0.141

SE 0.003 0.006 0.001 -1.143 -2.136 0.161 0.036 -0.002 -0.667

LB -0.242 0.246 0.203 -0.157 -0.014 0.015 0.538 0.795 -0.357

LM -0.103 0.430 0.108 -0.097 0.809 0.067 -2.326 -0.713 0.402

LE 0.021 -0.347 0.217 -0.187 0.173 0.081 -0.297 -0.742 -0.093

 Tyr-pro

        HB HM HE SB SM SE LB LM LE

HB 1.160 1.801 -0.053 0.081 0.048 0.002 -0.436 -1.998 -0.668

HM 0.088 0.124 0.581 -0.535 0.036 0.003 -0.315 -0.972 0.766

HE 0.101 0.394 0.669 0.006 0.010 0.000 0.018 -0.040 0.086

SB 0.191 -0.316 0.007 1.642 0.583 -0.789 -0.026 0.239 -0.040

SM -0.164 0.058 0.009 0.483 1.889 -0.433 -0.320 -2.286 -0.097

SE 0.002 0.005 0.000 0.198 0.392 0.076 0.009 -0.213 0.020

LB 0.216 0.185 0.000 -0.044 0.136 0.009 0.486 -0.100 -0.138

LM -0.500 -0.184 0.016 -0.133 -0.016 0.040 0.818 -0.409 -0.225

LE 0.285 0.041 -0.395 0.145 0.162 0.020 -0.032 -0.712 0.371

 Tyr-asn

        HB HM HE SB SM SE LB LM LE

HB 0.552 -0.569 -0.134 0.453 -0.106 0.002 0.079 -0.069 -0.331

HM 0.878 -0.663 0.201 0.231 0.007 0.004 0.144 -0.035 0.012

HE 0.144 0.450 -0.080 0.009 0.012 0.000 0.065 -0.219 0.061

SB -0.022 -0.057 0.064 3.255 -0.011 -0.504 -0.568 -0.409 -0.400

SM 0.034 -0.085 0.036 0.656 0.682 0.015 -1.880 -1.314 -0.104

SE 0.002 0.004 0.000 0.257 0.002 0.125 0.034 0.120 -0.770

LB 0.228 -0.181 0.022 0.652 -0.159 0.010 0.216 -0.284 -0.061

LM -0.031 -0.157 0.088 0.590 0.169 0.097 1.085 -1.840 -0.392

LE 0.091 -0.159 0.058 0.125 0.206 0.031 0.035 0.295 -0.205

 Tyr-Thr

        HB HM HE SB SM SE LB LM LE

HB 0.945 0.452 -0.137 -0.097 -0.040 0.002 -0.017 0.384 -0.250

HM -2.113 1.729 0.702 -0.020 0.421 0.004 -0.266 -0.296 -0.655

HE 0.563 0.862 -0.219 0.007 -0.210 0.001 0.113 0.127 -0.503

SB -0.218 -0.203 0.007 0.811 -0.686 0.048 0.624 -0.130 -0.282

SM -0.150 0.155 0.253 -1.146 -2.819 -1.529 0.342 -0.312 -0.206

SE 0.002 0.004 0.001 -2.982 -0.215 0.101 -0.098 -0.123 -0.100

LB -0.045 0.026 -0.109 0.362 -0.173 0.011 0.740 0.220 0.178

LM 0.221 0.158 -0.805 -0.481 0.346 -0.068 -0.736 -0.298 -0.343

LE 0.097 -0.062 0.341 0.160 0.063 0.034 0.123 0.394 -0.340

 Tyr-ser

        HB HM HE SB SM SE LB LM LE

HB -1.006 0.737 0.310 0.322 -0.496 0.002 0.354 0.515 0.303

HM -0.915 1.306 0.587 -0.132 0.145 0.005 -0.025 0.091 -0.330

HE -0.166 -0.920 1.059 0.009 0.017 0.000 0.056 -0.118 0.262

SB -0.337 0.316 -0.102 2.400 0.558 0.485 -0.780 -0.744 0.077

SM -0.373 -1.413 0.016 -1.604 0.235 -0.171 -0.236 -0.305 -0.219

SE 0.002 0.006 0.000 -0.195 0.658 0.117 0.015 0.186 0.125

LB -0.346 -0.212 0.027 0.324 0.172 0.017 -0.295 0.641 0.212

LM -0.584 -0.866 -0.064 -0.375 0.731 0.065 0.323 0.653 0.992

LE -0.128 0.188 0.092 0.156 0.595 0.041 -0.471 0.564 0.324

 Tyr-arg

        HB HM HE SB SM SE LB LM LE

HB 1.325 -0.058 -0.505 0.148 0.028 0.002 0.276 -0.761 0.082

HM 1.521 -0.565 -2.383 0.048 0.046 0.004 0.429 -0.043 0.091

HE 0.272 -0.145 -0.393 0.004 0.009 0.000 0.030 0.151 0.124

SB 0.074 -0.130 0.004 2.533 -3.006 -1.303 0.454 -0.603 -0.811

SM 0.027 -0.046 -0.087 0.535 -2.038 -1.326 0.262 0.108 -0.157

SE 0.001 0.004 0.000 0.156 0.097 0.085 0.032 0.045 0.025

LB 0.458 -0.604 0.056 0.713 -0.159 0.010 1.313 0.228 0.004

LM -0.019 -0.579 -0.335 -0.094 -1.608 0.114 1.112 -1.319 -2.474

LE 0.221 0.553 -0.038 -0.009 -0.048 0.025 0.259 0.552 0.037

 Tyr-gln

        HB HM HE SB SM SE LB LM LE

HB 1.391 -0.311 0.546 -0.098 0.022 0.001 -0.683 -0.140 -0.331

HM -0.029 -1.045 0.734 0.036 0.027 0.003 0.513 0.472 -0.034

HE 0.094 0.089 1.040 0.007 0.007 0.000 0.017 0.189 0.174

SB 0.209 -0.364 0.018 1.408 -0.578 -1.674 0.255 -0.312 -0.555

SM 0.019 -0.360 0.007 0.624 -0.556 -0.286 -0.152 -0.277 0.382

SE 0.001 0.003 0.000 -0.033 0.374 0.064 0.007 0.031 0.022

LB 0.236 -0.874 0.018 0.143 -0.056 -0.059 0.886 0.711 -0.513

LM 0.417 -0.210 -1.149 0.442 0.444 0.032 0.663 0.464 -0.049

LE 0.060 0.081 0.065 0.084 -0.328 0.022 0.142 0.341 0.150

 Tyr-asp

        HB HM HE SB SM SE LB LM LE

HB 1.860 1.228 0.525 0.135 0.035 0.002 0.607 0.518 0.084

HM 0.861 -0.256 -0.062 0.062 0.030 0.004 0.256 0.367 -0.499

HE 0.296 0.721 0.882 0.005 0.012 0.000 0.118 0.174 -0.910

SB 0.039 -0.307 0.564 1.741 0.331 0.203 0.050 -1.083 0.245

SM -0.621 -0.034 0.012 0.975 0.879 0.668 0.209 -1.495 -0.231

SE 0.002 0.004 0.000 0.416 0.475 -0.065 0.186 0.066 0.029

LB -0.031 0.341 0.022 0.028 0.144 0.010 0.398 -0.145 0.558

LM -0.471 0.230 0.201 0.396 0.576 0.056 0.574 0.286 -0.053

LE 0.136 0.331 0.165 0.004 0.248 0.030 0.190 -0.547 -0.499

 Tyr-lys

        HB HM HE SB SM SE LB LM LE

HB 1.735 1.159 -1.096 0.150 0.031 0.002 0.575 0.410 -2.178

HM 1.036 -0.412 1.317 0.151 -0.222 0.004 0.366 0.719 -1.866

HE 0.136 0.539 1.231 0.007 0.012 0.001 0.022 0.454 0.235

SB 0.084 -0.588 0.007 2.135 -2.248 -2.481 0.482 -0.484 -0.691

SM 0.080 -0.122 -0.287 0.963 -2.922 -1.923 -0.002 -0.328 -1.109

SE 0.002 0.004 0.001 0.223 0.447 -0.354 0.011 0.052 0.111

LB 0.203 0.115 -0.246 0.697 -0.218 0.009 1.069 -1.462 -0.795

LM 0.382 -0.843 -0.157 0.430 0.166 -0.175 1.189 -2.563 -1.197

LE 0.092 0.589 0.226 0.219 0.076 0.026 0.280 0.035 -1.188

 Tyr-glu

        HB HM HE SB SM SE LB LM LE

HB 1.937 -0.444 -0.173 0.137 0.030 0.002 0.690 0.926 0.148

HM 0.009 0.308 1.880 0.183 0.084 0.004 0.157 0.850 0.100

HE -0.178 0.977 0.038 0.009 0.011 0.001 0.057 -0.288 0.216

SB 0.079 0.148 0.008 1.153 -1.668 -0.936 0.320 0.324 0.331

SM 0.031 -0.329 0.010 0.409 -0.840 -0.474 0.821 -1.444 0.162

SE 0.003 0.006 0.001 -0.726 -1.655 -0.811 0.012 0.195 0.024

LB -0.050 -0.763 0.021 0.276 0.124 -0.173 1.275 -0.854 0.157

LM 0.520 0.672 -0.337 -0.363 0.242 -0.052 0.312 -0.643 0.192

LE 0.097 0.322 0.050 0.165 0.182 0.024 0.254 0.294 -0.447

 Ala-ala

        HB HM HE SB SM SE LB LM LE

HB -6.030 -2.784 -0.555 -3.437 -0.336 0.008 -1.792 1.272 -0.989

HM -3.941 -3.715 -0.404 0.319 0.016 -0.303 1.508 -0.952

HE -1.344 0.019 0.030 0.001 0.206 0.100 -0.948

SB -2.769 0.986 0.154 -0.123 0.270 -0.333

SM 1.123 -0.110 -0.213 1.014 0.316

SE 0.126 -0.005 0.124 0.050

LB 1.065 1.399 0.215

LM 0.027 0.356

LE 0.135

 Ala-gly

        HB HM HE SB SM SE LB LM LE

HB -0.155 4.506 -1.504 -2.891 0.068 0.004 -3.962 -0.979 -3.250

HM 2.529 0.072 1.695 -0.056 0.137 0.020 -0.395 -4.896 -2.490

HE -0.950 -0.593 0.976 -0.079 0.024 0.001 -0.291 -0.734 -0.874

SB -0.040 -0.403 0.014 -0.653 -0.229 0.581 0.769 -0.907 -0.057

SM 0.182 0.158 0.024 1.917 1.526 1.223 0.558 1.504 0.256

SE -0.017 0.018 0.001 0.320 -0.094 -0.024 0.031 0.057 -0.484

LB 0.599 0.194 0.054 0.037 -0.055 0.030 0.387 -0.431 -0.122

LM 0.804 1.241 0.218 1.395 1.617 0.249 -1.685 -3.456 0.497

LE -0.401 0.287 0.707 -0.270 0.212 -0.331 -1.132 0.805 0.634

 Ala-pro

        HB HM HE SB SM SE LB LM LE

HB 3.431 2.378 -0.107 -0.449 -0.415 -0.004 -0.195 -0.416 -0.933

HM 2.497 3.157 1.005 0.086 -0.266 0.010 0.595 -1.148 -0.602

HE 0.217 -0.043 -0.501 0.013 -0.217 0.001 0.048 -0.112 -1.284

SB 0.101 0.161 0.012 2.275 1.852 0.035 -1.883 -1.210 -0.385

SM -0.050 0.077 0.022 1.084 0.853 0.332 0.362 0.323 0.078

SE 0.003 0.010 0.001 0.629 0.533 0.019 0.022 -0.461 -0.995

LB 0.611 0.188 0.038 0.604 0.391 0.269 1.050 0.408 -0.452

LM 1.344 0.383 -0.554 0.761 0.453 -0.124 -0.053 -1.029 -0.783

LE 0.045 0.038 0.123 0.104 0.205 0.030 0.115 0.069 -0.800

 Ala-asn

        HB HM HE SB SM SE LB LM LE

HB 2.516 -1.714 -0.879 -0.028 -0.166 0.000 -0.082 -4.119 -0.705

HM 2.030 -2.018 -0.880 0.110 0.258 0.009 0.690 -1.482 -0.479

HE 0.054 0.660 1.564 0.014 -0.073 0.001 0.085 -0.245 -2.887

SB 0.223 0.072 -0.177 3.603 -0.208 -0.535 -1.190 -0.589 0.004

SM 0.069 -0.292 0.024 2.176 1.821 0.683 0.777 0.857 -0.077

SE 0.004 0.012 0.001 0.697 0.466 -0.851 0.060 0.085 0.039

LB 0.466 -0.239 0.059 0.584 0.345 -0.033 1.409 -1.274 -0.855

LM 0.599 1.363 0.799 0.660 -1.068 0.112 0.365 0.866 -1.222

LE 0.222 -0.847 0.242 0.238 0.025 0.039 0.406 0.419 -0.007

 Ala-thr

        HB HM HE SB SM SE LB LM LE

HB -1.641 -3.140 -1.340 -1.270 -0.156 -0.249 -0.856 1.460 -0.515

HM 2.589 -2.226 0.759 0.660 -0.301 -0.001 0.374 0.026 0.098

HE 0.480 0.809 -2.331 0.472 0.022 0.001 -0.009 0.038 -0.380

SB -0.005 -0.161 0.015 3.758 0.189 -0.759 -0.202 -1.324 -0.446

SM 0.150 0.305 0.056 2.099 1.503 -0.034 0.365 0.223 0.440

SE 0.004 0.011 0.001 0.161 -0.008 0.259 0.022 0.092 0.041

LB -0.336 -0.162 0.177 -0.108 -0.873 -0.120 0.295 -0.818 -0.440

LM 1.122 0.648 0.371 0.583 0.517 -0.152 0.974 -0.424 -0.937

LE 0.129 -1.184 0.123 0.136 -0.994 -0.305 0.389 0.150 0.352

 Ala-ser

        HB HM HE SB SM SE LB LM LE

HB 0.377 -1.876 2.058 -0.981 -0.760 -0.098 -0.733 1.219 -0.480

HM 0.507 -2.889 -0.343 -0.581 0.063 0.006 0.489 -1.207 -3.155

HE 1.137 -2.240 -1.163 0.019 0.034 0.001 -0.684 0.832 -0.306

SB -0.115 -0.061 0.009 2.299 -1.191 -1.424 0.266 0.281 0.417

SM 0.092 -0.074 -0.059 1.227 2.285 0.803 0.408 0.202 0.329

SE 0.006 0.069 0.064 -0.167 0.350 0.240 0.098 -0.589 -0.490

LB 0.102 -0.066 0.400 0.338 0.335 0.028 -0.525 -0.410 -0.538

LM 0.589 -1.120 -0.657 1.015 0.354 0.099 0.158 0.480 -0.584

LE 0.040 0.567 -1.136 0.261 0.405 0.052 -0.329 0.373 1.536

 Ala-arg

        HB HM HE SB SM SE LB LM LE

HB 3.606 -7.619 -3.687 0.095 0.031 0.003 1.586 -0.863 -0.508

HM 2.880 1.939 -5.534 0.087 -0.026 -0.093 0.741 0.845 -0.242

HE 0.500 -1.185 -3.387 0.009 -0.091 0.001 0.037 0.197 0.790

SB 0.234 -0.022 0.010 2.728 -0.190 -2.387 0.729 -0.719 0.108

SM 0.058 -0.036 0.021 1.600 0.803 0.237 0.393 -0.377 0.048

SE 0.003 0.012 0.031 0.475 0.649 0.190 0.023 0.069 0.038

LB 0.433 -0.956 -0.725 0.270 -0.729 -0.063 0.937 -0.637 -2.385

LM 0.946 0.411 -1.085 0.717 -0.906 -0.100 1.573 0.666 -1.685

LE 0.226 0.067 0.107 0.175 0.154 0.051 0.525 -0.944 0.523

 Ala-gln

        HB HM HE SB SM SE LB LM LE

HB -0.169 -1.287 -0.342 0.152 -0.024 0.003 0.159 0.910 -1.020

HM 3.075 -0.278 -5.841 0.069 0.040 -0.300 0.607 0.169 -0.417

HE 0.517 1.092 -1.032 -0.155 0.071 0.001 0.185 -0.005 -0.048

SB 0.129 -0.417 0.010 0.417 0.138 -1.109 0.228 -0.100 -0.480

SM 0.100 0.050 -0.180 1.149 1.309 -0.125 0.287 -0.264 -0.198

SE 0.103 0.037 0.001 0.306 0.592 0.249 0.055 0.046 0.028

LB 0.757 -0.507 0.760 0.615 0.086 0.157 0.773 0.857 -0.079

LM -0.620 0.579 -0.404 0.283 0.292 0.110 1.233 0.889 -0.107

LE 0.171 -1.481 -0.197 0.120 -0.263 0.274 0.198 -0.689 0.512

 Ala-asp

        HB HM HE SB SM SE LB LM LE

HB 2.160 0.980 -0.486 0.721 0.190 0.004 1.416 0.022 -1.605

HM 1.886 -0.790 -0.113 0.307 -0.591 0.062 0.626 -0.136 1.112

HE -0.636 0.720 -3.248 0.012 0.025 0.001 0.064 0.614 -0.016

SB 0.439 0.257 -0.007 2.886 0.477 0.408 0.707 -0.395 -0.562

SM 0.238 -0.721 0.009 0.893 0.146 0.481 -0.471 1.391 0.110

SE 0.004 0.043 0.001 0.472 0.337 0.146 0.021 0.132 0.001

LB -0.054 0.256 -0.090 0.545 0.642 -0.486 0.662 -0.082 -0.418

LM 0.555 -0.329 -0.673 0.263 -0.248 0.069 1.469 -0.526 -0.920

LE -0.384 0.366 -1.203 0.410 -0.550 -0.013 0.531 -0.823 -1.438

 Ala-lys

        HB HM HE SB SM SE LB LM LE

HB 4.473 -2.834 -3.849 0.504 0.121 0.004 1.412 -2.122 -0.777

HM 4.108 0.900 -8.378 0.091 -0.168 -0.133 0.665 1.453 -2.531

HE 0.739 1.667 0.314 0.012 0.111 0.001 0.034 0.375 -0.098

SB 0.013 -0.408 -0.290 4.118 0.430 -0.894 0.932 1.032 -1.058

SM 0.067 0.107 -0.139 2.543 0.031 -2.146 0.674 0.093 0.136

SE 0.004 0.014 0.001 0.428 1.134 -1.076 0.018 0.057 0.063

LB 0.880 -1.786 -0.260 0.837 -0.794 0.028 1.604 -0.150 -1.111

LM 0.374 -1.285 -1.388 0.404 -0.829 -0.190 2.112 -0.577 -2.185

LE 0.233 0.408 -0.497 0.334 -0.482 -0.353 0.479 0.590 0.212

 Ala-glu

        HB HM HE SB SM SE LB LM LE

HB 0.772 -2.055 -1.913 0.199 0.050 0.005 0.546 0.303 -0.268

HM 3.539 1.115 -7.887 0.101 0.185 -0.134 1.169 1.213 0.048

HE 0.569 -0.422 -2.640 0.013 0.060 0.021 0.355 0.248 0.019

SB -0.135 0.287 0.013 4.112 -0.475 -0.551 0.755 0.449 -0.425

SM 0.149 0.149 0.023 2.102 -0.221 0.383 0.410 0.372 0.404

SE 0.005 0.023 0.001 0.229 0.294 0.166 -0.038 -0.114 -0.094

LB -0.387 -0.928 -0.061 0.171 0.019 -0.038 1.427 1.287 -0.056

LM -0.286 -1.203 -0.535 0.730 -0.108 -0.353 0.645 -0.051 -0.516

LE 0.096 -0.327 0.024 -0.298 0.180 -0.119 0.879 -1.352 -0.438

 Gly-gly

        HB HM HE SB SM SE LB LM LE

HB 0.243 0.651 0.238 -0.027 0.087 0.004 -1.036 -0.043 -1.605

HM 0.388 0.192 -0.032 0.236 0.018 0.119 -0.060 -0.351

HE 1.277 0.011 0.022 0.002 -0.396 -0.029 -0.807

SB -0.360 0.002 0.790 -0.074 -0.251 0.403

SM 0.940 0.084 0.074 1.266 0.650

SE 0.147 0.137 0.276 0.002

LB -0.965 -1.230 -0.749

LM -0.391 0.537

LE 0.878

 Gly-pro

        HB HM HE SB SM SE LB LM LE

HB 2.939 1.750 0.284 0.620 0.078 0.002 -0.306 -0.411 0.802

HM 1.172 1.652 1.730 0.079 0.072 0.013 0.232 -1.305 -0.294

HE 0.021 1.581 1.435 0.009 0.016 0.001 0.037 0.448 -0.270

SB 0.461 0.101 0.009 4.136 1.505 0.154 0.165 -1.044 -0.061

SM 0.051 0.071 0.016 0.511 1.795 -1.116 0.116 -0.333 0.326

SE 0.003 0.013 0.001 1.145 0.327 0.286 -0.095 0.067 0.034

LB -0.287 -0.023 0.035 0.664 0.355 -0.132 -0.856 -1.849 -0.976

LM 0.309 0.528 -0.446 1.310 -0.015 -0.464 1.643 -1.635 -2.193

LE 0.126 -0.127 0.087 0.341 0.094 -0.180 0.092 -1.018 -1.129

 Gly-asn

        HB HM HE SB SM SE LB LM LE

HB 1.112 1.033 0.670 -0.196 0.060 0.002 0.239 -0.352 -0.062

HM 2.507 -0.726 -1.084 0.073 0.007 0.011 0.628 -0.180 0.174

HE -0.509 1.180 0.094 0.014 0.020 -0.009 0.059 0.501 0.281

SB 0.145 0.013 0.011 3.057 0.532 0.192 0.037 -1.333 -0.480

SM 0.063 0.177 0.019 1.561 1.078 0.444 0.556 -0.047 -0.297

SE 0.003 0.012 0.001 0.534 0.757 -0.637 0.019 0.077 0.046

LB -0.262 -1.135 -1.190 0.196 -0.069 0.019 -0.594 -1.470 -0.379

LM 0.401 -1.394 -0.442 -0.128 -0.779 -0.334 0.717 -1.408 -1.351

LE 0.391 -0.011 0.045 0.120 -0.816 0.140 0.622 -0.956 -1.334

 Gly-thr

        HB HM HE SB SM SE LB LM LE

HB -1.905 2.071 -0.246 -0.727 -0.126 -0.335 0.760 0.488 -0.652

HM 2.126 -0.240 -1.920 0.000 -0.093 0.012 0.540 -0.101 -0.546

HE 0.427 2.801 1.835 0.011 0.017 0.002 0.042 -0.198 0.131

SB 0.155 -0.303 0.158 2.458 3.012 -0.941 0.239 0.596 0.170

SM -0.098 0.034 0.018 -1.013 2.498 0.270 0.358 -0.346 0.444

SE 0.003 0.015 0.002 0.661 0.650 0.004 0.020 0.207 0.052

LB -0.446 0.486 -0.370 -0.082 -0.073 -0.056 -0.821 -2.129 -1.238

LM -0.780 0.288 0.070 -0.319 -0.856 -1.188 -0.070 -1.893 -0.684

LE 0.020 -0.254 -1.487 -0.230 -0.163 -1.042 0.161 -2.010 0.366

 Gly-ser

        HB HM HE SB SM SE LB LM LE

HB -1.574 0.991 0.276 0.045 0.088 0.005 -1.186 0.129 -0.152

HM 1.947 2.544 -6.070 -0.426 -0.090 0.016 0.264 0.965 -0.418

HE 0.076 2.940 3.592 0.017 -0.553 0.001 -0.285 -0.373 0.112

SB -0.226 0.472 0.015 -0.128 -0.627 0.854 0.322 1.286 0.188

SM 0.107 0.126 0.029 1.579 1.713 0.315 0.435 0.162 0.059

SE 0.004 0.015 0.001 0.647 1.121 -0.310 -0.009 0.103 0.254

LB -0.877 -0.324 0.299 -1.213 0.275 0.032 -1.569 -0.576 -0.344

LM -0.091 -1.086 0.310 -0.514 -0.848 0.090 0.217 -2.332 -5.378

LE 0.314 -1.511 -2.475 0.203 -0.251 0.055 -0.502 0.293 -0.021

 Gly-arg

        HB HM HE SB SM SE LB LM LE

HB 3.058 -2.488 0.235 0.155 0.062 0.003 1.045 -0.328 -0.089

HM 1.723 3.071 0.304 0.089 0.187 -0.070 0.491 1.168 0.538

HE 0.590 0.407 -0.796 0.008 0.017 -0.001 0.036 0.115 0.121

SB 0.263 -0.518 0.252 3.542 -0.261 -0.972 0.930 -0.864 -0.560

SM 0.058 -0.625 -0.044 2.140 1.656 -2.837 0.235 0.983 0.078

SE 0.003 0.012 0.001 0.674 0.540 -0.364 0.147 -0.101 0.041

LB -0.544 -1.872 -0.914 0.376 -1.627 0.108 1.049 -2.583 -1.113

LM 0.632 0.651 -0.653 0.662 -2.011 -2.674 0.862 0.198 -1.862

LE -0.183 -0.556 -0.864 0.170 0.203 -0.065 0.405 -0.426 -0.210

 Gly-gln

        HB HM HE SB SM SE LB LM LE

HB -0.652 0.813 -0.437 0.025 -0.296 0.003 0.407 0.459 0.139

HM 2.093 2.596 -5.669 0.028 -0.093 0.008 0.572 0.679 0.241

HE -0.145 1.982 0.659 0.009 0.013 0.002 0.030 0.315 0.145

SB 0.207 0.007 0.009 2.086 -1.851 0.689 0.497 0.055 0.223

SM 0.058 0.017 0.062 1.840 -1.784 0.073 0.381 0.833 0.204

SE 0.002 0.069 0.002 0.306 0.941 0.202 0.053 0.053 0.034

LB -2.135 -0.728 -0.154 0.570 -1.070 0.081 1.007 -0.513 -1.492

LM 0.429 -2.089 -0.312 0.850 -2.598 0.015 1.549 -0.730 -1.393

LE 0.093 0.753 0.093 0.164 -0.245 0.050 0.383 0.710 -1.797

 Gly-asp

        HB HM HE SB SM SE LB LM LE

HB 1.969 2.407 0.014 -0.258 0.065 0.004 0.332 -0.266 -0.749

HM 2.414 1.648 -1.729 0.180 -0.288 0.014 0.448 0.808 -0.460

HE 0.120 2.247 -0.532 0.010 -0.091 0.001 0.095 0.180 -0.265

SB -0.190 0.098 -0.156 2.041 0.378 0.182 0.451 1.227 -0.179

SM 0.179 -0.250 0.002 2.366 2.516 0.945 0.485 0.820 0.059

SE 0.004 0.015 0.001 0.994 1.298 0.199 0.020 0.183 0.045

LB 0.151 -2.037 0.013 0.829 -0.467 0.083 -1.308 -2.592 -0.671

LM 0.645 -1.948 -0.018 0.453 -0.520 -0.970 0.530 -2.299 -1.376

LE 0.159 -0.745 -0.630 0.531 0.106 0.045 -0.435 -0.660 0.085

 Gly-lys

        HB HM HE SB SM SE LB LM LE

HB 2.810 2.030 -1.019 -0.048 -0.044 -0.043 0.786 0.490 -0.602

HM 2.726 2.154 -5.924 -0.201 0.099 -0.058 0.418 0.891 -0.538

HE 0.342 3.258 1.674 0.010 0.018 0.002 0.209 0.196 -0.194

SB 0.199 0.499 -0.220 3.976 1.003 -1.484 0.706 0.545 -0.323

SM -0.013 0.102 0.019 1.734 -0.268 -1.275 0.247 0.838 0.045

SE 0.004 0.049 0.002 0.412 0.691 0.014 0.015 0.111 0.128

LB 0.700 -1.540 0.009 1.191 0.065 -0.361 2.083 -0.368 -1.805

LM 1.142 -1.017 -2.500 1.299 -0.396 -0.127 2.222 1.232 -0.612

LE 0.634 -1.708 -0.846 0.199 -0.191 -0.374 0.437 1.250 -0.176

 Gly-glu

        HB HM HE SB SM SE LB LM LE

HB 2.577 1.123 0.086 0.055 -0.010 0.006 0.937 -0.333 -0.090

HM 1.365 -0.186 -0.887 0.105 0.083 -0.022 0.433 0.914 -0.080

HE 0.352 1.975 0.718 0.011 0.019 0.002 0.037 0.096 0.232

SB 0.056 0.234 -0.033 2.507 0.893 -1.322 0.739 -0.109 -0.476

SM 0.061 0.225 0.019 1.360 2.041 -0.328 0.157 1.395 0.111

SE 0.003 0.014 0.002 0.637 1.051 0.116 0.023 0.210 0.040

LB -0.061 -0.561 0.308 -0.233 -0.632 -0.162 1.833 0.330 -0.428

LM 0.501 -0.970 -0.991 0.258 -0.586 0.039 1.580 -0.480 -1.640

LE -0.168 -2.114 0.409 0.241 -0.517 0.294 0.790 0.777 0.026

 Pro-Pro

        HB HM HE SB SM SE LB LM LE

HB 0.994 1.892 0.222 0.141 0.039 0.002 0.543 -0.213 0.684

HM 1.089 1.119 0.125 0.169 0.006 0.283 0.256 0.175

HE 0.718 -0.022 -0.049 -0.033 0.022 0.094 0.223

SB 1.435 1.833 0.165 0.409 1.086 0.298

SM 0.744 0.093 0.178 0.677 0.238

SE 0.041 0.017 -0.378 -0.019

LB -0.095 -0.025 0.128

LM -0.699 -0.551

LE -0.570

 Pro-Asn

        HB HM HE SB SM SE LB LM LE

HB 1.826 0.951 0.379 0.139 0.041 0.002 0.550 0.375 0.099

HM 0.591 0.105 0.109 0.177 0.056 0.007 0.009 0.431 -0.213

HE 0.026 0.499 0.558 0.010 0.225 0.001 0.144 0.088 -0.035

SB 0.151 0.062 0.010 2.212 1.826 0.318 0.847 0.325 0.322

SM 0.036 -0.060 0.018 1.987 1.050 0.198 0.233 0.187 0.252

SE 0.003 0.007 0.001 0.431 -0.115 0.114 0.012 0.123 0.127

LB 0.633 -0.302 0.049 0.030 -0.060 -0.051 1.053 -0.148 0.222

LM 0.171 -0.311 0.030 -0.216 -2.419 0.054 0.558 1.919 -0.276

LE 0.042 -0.322 -0.335 -0.279 0.154 -0.643 0.280 -0.724 -0.638

 Pro-Thr

        HB HM HE SB SM SE LB LM LE

HB 2.682 1.788 0.254 0.039 0.075 0.003 0.215 0.623 0.098

HM -0.030 3.248 0.413 -0.107 -0.145 0.008 0.043 -0.101 0.389

HE 0.939 1.712 0.184 0.009 0.017 0.001 0.284 -0.173 0.093

SB 0.121 0.005 0.010 3.030 1.592 0.572 1.098 0.595 0.145

SM 0.016 0.058 0.110 1.666 1.491 -0.234 -0.061 0.490 -0.434

SE 0.004 0.008 0.036 0.171 0.526 -0.152 0.036 -0.152 -0.049

LB -0.179 0.249 0.030 -0.072 0.021 0.030 -0.107 1.087 -0.025

LM -1.305 0.629 0.013 0.273 -0.103 -0.531 1.174 -0.693 0.216

LE 0.715 0.286 0.376 -0.080 -1.176 0.043 0.003 0.305 0.378

 Pro-Ser

        HB HM HE SB SM SE LB LM LE

HB 1.165 2.156 0.686 0.056 0.146 0.003 0.968 0.826 0.287

HM 2.626 2.853 1.354 -0.533 0.070 0.010 0.474 1.039 -0.449

HE 0.955 0.210 -0.227 0.001 0.026 0.001 0.035 0.215 0.302

SB -0.049 0.324 0.014 3.691 1.324 0.366 0.715 0.792 -0.044

SM 0.420 -0.137 0.025 2.019 2.249 0.262 -0.044 0.442 0.156

SE 0.004 0.010 0.001 0.311 -0.061 0.081 0.018 0.106 0.031

LB -0.516 0.353 0.018 0.548 -0.216 0.018 -0.537 1.921 -0.319

LM -0.251 -0.194 -0.191 -0.374 0.482 0.097 -0.660 -0.480 1.188

LE 0.183 -0.339 -0.036 -0.429 -0.344 0.026 -0.167 -2.641 -1.649

 Pro-Arg

        HB HM HE SB SM SE LB LM LE

HB 2.274 2.160 0.415 0.135 0.038 0.069 0.543 0.520 0.290

HM 0.735 0.811 0.209 0.188 0.102 0.008 0.501 0.736 -0.060

HE 0.237 0.473 0.375 0.007 0.014 0.001 0.038 0.222 0.166

SB 0.268 -0.597 0.006 2.824 1.100 -0.071 0.672 0.068 0.168

SM 0.036 0.188 0.015 1.114 1.049 0.085 0.363 0.154 -0.287

SE 0.002 0.010 0.001 0.464 0.014 -0.299 0.018 -0.217 0.027

LB -0.188 0.110 0.026 0.625 0.004 0.006 0.955 0.369 -0.293

LM 0.234 -0.212 -1.234 0.742 -1.174 0.054 0.987 -0.509 -0.951

LE 0.105 -0.650 -0.533 0.118 -0.554 0.067 0.328 -0.584 0.338

 Pro-Gln

        HB HM HE SB SM SE LB LM LE

HB 1.290 1.087 0.735 0.109 -0.087 0.005 0.499 0.455 0.060

HM 0.266 1.090 1.265 0.068 0.035 0.005 0.378 0.187 0.208

HE 0.231 -0.435 -0.479 0.007 0.012 0.001 0.022 0.029 -0.024

SB 0.109 0.032 0.007 2.175 1.166 0.466 0.641 -0.385 0.093

SM 0.077 0.035 -0.109 1.251 1.696 -0.065 0.132 -0.257 -2.605

SE 0.002 0.005 0.001 0.541 -0.267 0.069 0.010 0.034 0.020

LB -0.168 0.308 -0.069 0.367 0.276 0.127 1.097 -0.503 0.210

LM -0.510 -0.868 -1.533 0.698 -0.743 -0.213 1.550 0.275 -0.055

LE -0.177 -0.546 -0.124 0.307 -1.153 -0.106 0.239 -1.053 -1.425

 Pro-Asp

        HB HM HE SB SM SE LB LM LE

HB 1.772 1.856 0.183 0.283 0.046 0.002 0.874 0.835 0.008

HM 1.589 4.032 1.227 0.068 0.061 0.009 0.348 0.704 -0.810

HE 0.083 0.577 0.708 0.008 0.162 0.000 0.092 0.243 -0.691

SB 0.182 0.057 0.010 2.974 1.291 0.380 0.454 0.693 0.153

SM 0.041 0.061 0.018 1.389 1.913 0.367 0.380 0.811 -0.117

SE 0.003 0.007 0.000 -0.082 0.400 0.127 0.064 0.029 -0.094

LB 0.037 0.143 0.025 -0.362 0.015 0.015 0.384 0.524 -0.026

LM -1.081 -0.240 -0.165 -0.288 -0.601 -0.091 0.501 0.383 -1.124

LE 0.313 -0.844 -0.459 -0.032 0.096 0.024 0.004 -1.187 -0.148

 Pro-Lys

        HB HM HE SB SM SE LB LM LE

HB 2.228 0.764 0.219 0.222 -0.401 -0.120 0.757 0.381 0.155

HM 0.114 2.147 2.050 0.066 -0.189 0.007 0.286 0.391 -0.868

HE 0.135 0.217 1.641 0.010 0.018 0.001 0.025 0.131 0.131

SB 0.033 -0.217 0.009 2.454 2.066 0.162 0.420 0.543 0.574

SM 0.039 0.282 0.063 1.609 1.991 0.367 0.182 0.479 -0.466

SE 0.002 0.007 0.001 0.286 -0.002 -0.297 0.015 0.035 -0.137

LB -0.084 -0.483 -0.618 0.084 0.222 -0.129 1.637 0.640 -0.903

LM 0.468 -0.228 0.274 0.997 -0.377 -0.836 1.909 1.986 -0.561

LE 0.154 -2.332 -0.086 0.150 -0.330 -0.222 0.447 -0.745 -1.698

 Pro-Glu

        HB HM HE SB SM SE LB LM LE

HB 3.399 1.496 -0.197 0.164 0.109 0.003 0.248 0.804 0.070

HM 1.487 4.557 0.498 0.072 0.081 -0.021 0.424 0.787 -0.407

HE 0.306 0.099 -0.383 0.011 0.019 0.001 0.030 0.316 -0.058

SB 0.128 -0.043 -0.005 3.740 0.803 0.187 1.055 0.614 0.221

SM 0.040 0.061 0.040 0.823 1.711 0.024 0.103 -0.304 -0.003

SE 0.003 0.008 0.001 -0.190 0.322 0.148 0.020 0.005 0.022

LB 0.556 0.010 -0.114 0.120 -1.598 -0.063 1.925 0.762 0.330

LM -0.374 -0.622 -0.251 0.819 -0.143 -0.150 0.299 2.327 -0.134

LE 0.364 -1.321 -1.223 0.703 -0.050 0.042 0.150 -0.035 -1.160

 Asn-asn

        HB HM HE SB SM SE LB LM LE

HB 0.761 1.334 0.320 0.214 0.056 0.003 0.440 0.149 -0.080

HM -0.989 -0.837 0.493 -0.136 -0.165 -0.172 -0.690 -0.723

HE -0.454 0.015 0.083 0.001 -0.238 -0.173 -0.470

SB 1.700 1.719 0.089 0.677 0.739 0.231

SM 0.154 -0.348 -0.340 -0.107 -0.514

SE 0.055 0.260 -0.193 0.398

LB 0.469 0.024 0.033

LM -0.854 -0.861

LE -0.079

 Asn-Thr

        HB HM HE SB SM SE LB LM LE

HB 1.775 0.312 -0.054 -0.178 0.202 0.004 0.130 0.485 0.115

HM 1.519 -0.944 -1.629 0.080 -1.101 0.011 -0.071 0.548 -0.044

HE 0.000 0.732 -1.446 0.013 0.000 0.002 0.129 0.844 -0.211

SB 0.292 0.098 0.013 2.484 2.046 0.132 0.831 0.653 0.055

SM 0.053 0.069 0.019 1.636 -1.404 0.020 -0.184 0.765 -0.401

SE 0.004 0.008 0.002 -0.043 -2.647 0.035 0.018 0.055 0.036

LB 0.819 0.998 0.032 0.450 0.047 0.052 1.107 -0.265 0.644

LM 0.483 -0.340 -0.135 0.234 -0.532 0.354 0.492 -0.025 -1.591

LE 0.721 -0.765 -0.188 -0.055 -1.531 0.049 -0.203 -1.056 -1.206

 Asn-ser

        HB HM HE SB SM SE LB LM LE

HB 1.869 1.184 0.287 0.223 0.084 0.003 1.039 0.299 0.132

HM 1.698 0.409 -2.663 -0.874 -0.816 0.009 -0.164 -1.416 0.632

HE 0.428 -1.353 -4.029 0.018 -0.121 0.001 0.040 -0.164 0.164

SB -0.170 0.193 0.017 3.743 1.581 0.421 0.018 1.589 0.415

SM 0.062 -0.655 -0.534 2.475 -1.460 0.183 0.335 -1.297 -0.257

SE 0.004 0.009 0.001 0.342 -0.577 0.110 0.065 0.088 0.045

LB 0.378 0.138 0.041 -0.873 0.135 0.107 1.381 0.381 0.315

LM -0.226 -0.959 -0.328 -0.026 0.310 0.245 -1.062 0.983 -0.667

LE -0.559 -0.725 -0.057 0.016 -0.986 0.012 0.149 0.577 -0.424

 Asn-arg

        HB HM HE SB SM SE LB LM LE

HB 2.785 -0.053 -2.090 0.150 -0.371 0.003 0.584 0.232 -0.255

HM 2.116 0.457 -2.227 0.239 0.066 -0.421 0.658 -0.844 -1.165

HE 0.023 0.602 -1.710 0.008 0.019 0.001 0.035 -0.037 -0.061

SB 0.142 0.069 0.104 2.522 1.230 0.393 0.492 0.669 0.081

SM 0.042 -0.012 0.106 0.782 1.647 -1.333 0.213 -0.258 0.585

SE 0.003 -0.166 0.001 0.288 0.107 -1.312 0.013 0.315 0.032

LB 0.041 0.192 0.120 0.035 -0.344 0.080 1.917 -0.380 -1.126

LM 0.748 -1.554 -0.025 0.911 0.157 -0.015 1.138 -1.529 -0.808

LE -0.131 -0.303 -1.252 -0.201 -1.842 0.021 0.412 -1.558 0.401

 Asn-gln

        HB HM HE SB SM SE LB LM LE

HB 1.805 0.808 0.054 0.131 -0.130 0.002 0.404 0.564 -0.089

HM 1.458 0.522 -2.704 0.059 0.041 0.006 0.344 0.073 -0.810

HE -0.510 -1.600 2.008 0.011 -0.415 0.001 0.024 -0.047 0.220

SB 0.399 0.056 0.009 1.397 1.201 0.065 0.223 -0.164 0.129

SM -0.130 0.040 0.015 1.385 0.251 -0.259 0.217 -1.238 -0.702

SE 0.002 0.006 0.001 -0.766 -0.245 0.186 0.253 0.040 -0.186

LB 0.302 -0.219 0.142 0.320 0.312 0.077 0.254 0.250 0.077

LM -0.063 -2.023 -0.740 -0.663 -0.180 0.068 0.599 -0.932 -1.902

LE 0.088 -1.564 0.047 0.174 -0.291 0.026 0.063 0.596 0.188

 Asn-asp

        HB HM HE SB SM SE LB LM LE

HB 2.218 1.635 0.147 0.191 0.054 0.004 0.929 -0.079 -0.608

HM 0.955 1.384 -1.788 -0.135 0.119 0.009 0.191 0.214 -0.730

HE -0.217 -4.187 -0.310 0.012 0.022 0.000 0.045 0.197 -0.037

SB 0.394 0.077 0.010 2.844 1.811 0.378 0.206 1.106 -0.520

SM 0.052 0.080 0.023 1.639 2.595 -0.163 -0.175 -0.960 -0.753

SE 0.002 0.007 0.000 0.303 -0.979 -0.091 0.032 -0.005 -0.045

LB 0.682 0.665 0.050 0.849 -0.019 0.042 0.139 0.237 0.052

LM 0.154 -0.159 0.174 0.504 -2.046 0.052 -0.024 -1.479 -0.468

LE 0.101 -0.337 -0.563 -0.037 -0.589 0.045 -1.592 -0.248 -1.958

 Asn-lys

        HB HM HE SB SM SE LB LM LE

HB 2.406 1.442 0.732 0.159 0.048 0.003 0.628 -0.521 -0.173

HM 1.572 -0.418 -0.686 0.109 0.131 -0.057 0.418 0.145 -1.831

HE 0.179 -1.122 -1.634 0.493 0.021 0.001 0.129 0.281 -0.613

SB 0.085 0.207 0.000 2.876 1.817 1.117 0.158 -0.139 -0.402

SM 0.322 0.149 0.081 1.285 -0.090 0.148 0.228 0.500 -0.217

SE 0.003 0.009 0.001 0.278 -0.568 0.112 0.062 0.088 -0.370

LB 0.509 0.348 0.123 1.194 -0.915 -0.360 2.040 -0.083 -0.199

LM 0.778 -3.693 -1.623 0.652 0.994 -0.386 1.845 -0.030 -3.364

LE 0.213 0.272 -3.934 0.652 -0.247 0.335 0.325 0.235 -2.031

 Asn-glu

        HB HM HE SB SM SE LB LM LE

HB 2.502 0.031 0.131 0.085 0.045 0.003 1.150 0.924 0.144

HM 0.722 -1.429 -1.877 0.266 -0.845 0.009 0.297 0.848 0.253

HE 0.510 -0.643 -1.172 0.013 0.019 0.002 0.051 -0.083 0.117

SB 0.025 0.090 0.012 2.955 1.885 0.408 0.714 -0.234 -0.105

SM 0.109 -0.251 0.142 0.957 2.340 0.067 -0.185 -0.573 0.301

SE 0.003 0.008 0.002 0.346 0.148 0.227 0.015 0.104 -0.208

LB 0.138 -0.201 0.457 0.555 0.035 0.015 1.448 1.755 -0.624

LM -0.130 -0.975 -0.670 0.769 0.060 0.191 -0.155 -1.381 -1.350

LE 0.055 -0.792 0.424 0.267 -0.578 -0.007 0.241 0.099 -1.366

 Thr-Thr

        HB HM HE SB SM SE LB LM LE

HB 0.339 0.374 -1.508 0.086 -0.241 0.002 -0.172 1.095 -0.046

HM 1.457 -0.136 0.135 -0.435 0.009 0.461 -0.959 0.626

HE 0.871 -0.025 0.410 0.003 -0.171 0.250 -0.540

SB -0.023 0.660 0.045 0.459 0.425 -0.354

SM -2.268 -1.177 -0.207 -0.311 -0.521

SE -0.908 -0.105 -0.099 0.036

LB -0.784 -0.897 -0.116

LM -0.318 -0.328

LE 0.081

 Thr-ser

        HB HM HE SB SM SE LB LM LE

HB -0.662 0.816 -0.773 0.102 -0.106 0.004 0.284 0.824 0.283

HM 1.693 -1.470 0.667 0.091 0.120 0.009 -0.980 -2.133 0.355

HE -0.071 -0.704 0.299 0.110 0.138 0.001 0.042 0.318 0.031

SB 0.045 0.150 0.016 1.560 1.410 -0.122 0.567 0.424 -0.777

SM -0.358 -0.057 -0.084 0.381 0.090 0.453 -0.107 1.109 -0.772

SE 0.004 -0.002 0.001 0.532 -0.174 0.227 0.038 0.170 0.044

LB 0.151 -0.020 0.063 0.585 -0.034 0.054 1.844 -0.203 0.025

LM -0.272 -0.201 -0.023 -0.125 -0.798 0.334 -1.188 -1.517 -2.523

LE -0.054 0.488 0.663 -0.504 0.439 0.045 0.099 -2.082 -0.232

 Thr-arg

        HB HM HE SB SM SE LB LM LE

HB 3.083 -1.456 -0.148 0.311 0.138 0.002 0.690 -0.383 0.255

HM -0.451 -1.962 -1.650 0.067 0.218 -0.343 0.291 -0.467 0.395

HE 0.129 -1.279 3.060 0.009 0.018 0.002 0.028 0.237 0.399

SB 0.244 0.040 -0.239 1.425 -0.801 -0.676 0.534 -0.109 -0.505

SM 0.152 0.372 -0.122 1.694 0.204 -0.886 0.481 -0.125 0.459

SE 0.002 0.008 -0.132 0.224 -0.931 -0.443 0.015 0.148 0.029

LB 0.443 0.097 -0.141 -0.067 0.065 0.016 1.498 0.696 -0.303

LM 0.709 -0.600 -0.966 -0.949 -0.172 -0.083 0.354 -0.173 -1.502

LE 0.112 -2.530 -0.047 0.242 -0.207 0.029 0.084 0.782 0.148

 Thr-gln

        HB HM HE SB SM SE LB LM LE

HB 1.230 0.339 0.060 0.105 -0.482 0.002 0.297 0.159 0.357

HM 0.617 -3.231 -4.025 0.079 0.253 -0.048 -0.010 1.427 -0.136

HE 0.266 1.342 -1.503 0.009 0.000 0.002 0.029 -0.187 0.156

SB 0.137 0.013 0.008 1.756 -1.074 0.132 0.964 -0.272 -0.168

SM 0.131 -0.097 0.013 0.899 -1.149 -0.105 0.139 -0.033 -0.539

SE 0.002 0.007 0.002 0.018 -0.709 0.123 0.011 0.041 -0.203

LB 0.464 -0.251 -0.049 0.185 0.202 -0.116 1.374 1.487 -0.352

LM 0.628 -1.598 0.369 0.446 0.011 -0.242 0.653 0.778 -0.995

LE -0.094 -0.896 0.537 -0.312 0.114 0.053 0.107 -0.095 0.429

 Thr-asp

        HB HM HE SB SM SE LB LM LE

HB 3.617 1.658 0.686 0.132 0.176 0.004 0.175 0.123 -0.306

HM 2.471 -1.515 -0.564 -0.052 0.072 0.009 0.520 0.275 -1.277

HE 0.526 -0.598 -2.240 0.010 -0.019 0.001 0.032 -0.067 0.047

SB 0.351 0.150 0.011 2.377 0.141 0.311 0.426 0.127 0.083

SM -0.249 -0.152 -0.700 1.744 1.558 -0.324 0.435 -1.079 -0.045

SE 0.003 0.010 0.001 0.422 -0.080 0.011 0.016 -0.722 -0.284

LB 0.147 -0.624 0.032 0.538 -0.034 -0.368 0.552 -0.122 -0.265

LM -0.014 -1.167 -0.667 0.608 -0.371 0.056 -1.104 -2.998 -1.538

LE -0.076 -0.238 0.130 0.592 0.039 -0.039 -0.472 0.050 -0.523

 Thr-lys

        HB HM HE SB SM SE LB LM LE

HB 3.739 1.141 0.353 0.202 0.065 -0.029 0.561 0.430 -0.518

HM 1.793 1.750 -3.059 0.080 0.438 0.365 0.589 1.374 -3.159

HE -0.067 -0.857 -1.855 0.011 0.017 0.002 0.208 0.183 -0.004

SB 0.160 -0.897 -0.069 2.050 0.172 -1.378 1.205 0.650 -0.592

SM 0.076 0.168 -0.298 2.596 -0.378 -3.037 0.375 1.482 -1.451

SE 0.003 0.011 0.002 0.348 -1.585 -0.917 0.046 -0.081 -0.084

LB 0.500 -0.020 -0.174 0.693 -0.011 0.045 1.329 -1.485 -1.503

LM 1.035 -0.336 -0.945 0.891 -1.025 -0.073 1.877 1.249 -2.236

LE 0.135 -0.956 0.607 0.335 -0.098 0.079 0.296 1.425 -1.010

 Thr-glu

        HB HM HE SB SM SE LB LM LE

HB 2.378 -1.009 -0.653 0.160 0.052 0.004 0.748 0.723 -0.842

HM 0.650 -0.286 -3.554 0.133 -0.066 0.035 0.296 1.316 -0.083

HE 0.500 0.931 2.021 0.014 0.018 -0.107 0.032 0.496 0.319

SB -0.165 -0.184 -0.260 2.473 1.985 -0.583 0.439 0.222 0.565

SM 0.005 -0.053 0.019 0.630 -0.111 -1.128 0.994 -0.631 -1.162

SE 0.005 -0.009 0.003 0.317 0.223 -0.948 0.019 0.027 0.145

LB -0.324 -0.397 -0.015 0.121 0.260 0.069 1.677 1.066 0.086

LM 0.280 -3.865 0.055 0.832 0.110 0.181 1.296 0.668 -0.788

LE 0.010 -3.401 -0.137 0.141 0.202 -0.798 0.500 0.766 0.013

 Ser-Ser

        HB HM HE SB SM SE LB LM LE

HB 0.917 1.188 1.480 0.188 0.119 0.004 0.928 0.265 0.141

HM 0.507 1.165 -0.634 -0.199 0.012 1.216 0.469 -1.711

HE -1.304 0.024 -0.526 0.001 0.055 0.402 -0.489

SB 1.697 1.148 0.502 -0.060 0.450 0.126

SM 0.178 -0.284 0.358 0.235 0.493

SE -0.005 -0.020 0.112 0.057

LB 0.459 0.184 0.158

LM 0.665 -0.210

LE -0.116

 Ser-arg

        HB HM HE SB SM SE LB LM LE

HB 2.342 -0.795 -1.064 0.170 -0.525 -0.032 0.121 -1.469 0.147

HM 3.207 -0.426 -3.188 0.264 0.157 0.010 0.652 -0.520 0.178

HE 0.344 2.776 -3.092 0.012 0.027 0.001 0.192 -0.028 0.069

SB 0.193 -0.215 0.054 3.451 0.532 -0.546 0.786 -1.160 -0.512

SM 0.051 0.086 -0.574 0.839 1.714 -1.244 0.224 0.197 -0.582

SE 0.003 0.010 0.001 0.596 -0.243 0.049 0.019 0.225 -0.516

LB 0.513 -1.056 0.197 0.295 -0.773 -0.066 1.317 0.047 -1.136

LM 0.839 -1.346 -0.003 -0.341 -1.760 0.022 1.944 0.377 -1.351

LE 0.381 0.719 0.132 0.111 -1.075 -0.902 0.183 0.389 0.223

 Ser-Gln

        HB HM HE SB SM SE LB LM LE

HB 0.418 1.143 -0.042 0.132 0.043 0.003 0.605 0.840 0.121

HM 0.331 -2.160 -2.167 0.039 0.055 0.007 0.524 -0.391 0.461

HE 0.731 0.482 0.529 0.011 0.018 0.001 0.031 -0.196 0.112

SB 0.168 -0.221 0.061 1.376 -1.501 -0.033 0.477 0.262 0.582

SM 0.044 -0.084 0.018 1.746 -0.647 0.173 0.526 -0.732 0.087

SE 0.003 0.007 0.498 0.454 0.733 -0.479 0.032 0.049 -0.260

LB 0.350 0.046 0.031 0.098 -0.295 -0.265 1.162 -0.600 0.136

LM 0.467 -1.755 0.231 0.486 -0.948 0.049 0.574 -0.849 -0.017

LE 0.110 -0.478 -0.892 -0.106 -0.118 0.089 0.138 0.628 -2.462

 Ser-Asp

        HB HM HE SB SM SE LB LM LE

HB 3.835 1.218 -0.286 0.051 0.275 0.004 -0.105 -0.146 -0.070

HM 1.521 0.194 0.197 -0.398 0.203 0.010 0.248 -0.873 -0.537

HE 0.219 -1.564 0.199 0.014 0.033 0.001 -0.395 -0.326 0.266

SB 0.290 -0.165 0.013 2.443 0.797 -0.399 0.316 -0.752 -0.124

SM -0.038 0.104 -0.073 2.914 -0.107 0.142 0.278 0.457 -0.206

SE 0.004 0.012 0.143 0.426 0.645 0.093 0.021 0.160 0.207

LB 0.197 -0.193 0.079 0.827 0.688 0.021 0.066 -1.994 0.152

LM 0.490 -1.135 -1.082 0.844 0.492 -0.380 1.151 -4.888 0.379

LE 0.132 -0.123 -1.540 -0.188 0.323 0.188 0.139 -0.441 -0.311

 Ser-lys

        HB HM HE SB SM SE LB LM LE

HB 2.515 1.611 -2.486 0.311 0.147 -0.107 0.734 0.714 0.077

HM 2.955 0.576 -1.751 0.104 0.096 0.121 0.575 -1.440 -0.963

HE 0.262 2.380 0.891 0.017 0.033 0.001 0.043 0.297 -2.597

SB 0.036 0.100 0.016 2.946 1.895 -0.915 0.701 0.253 -1.347

SM 0.057 -0.308 -0.531 2.497 -0.803 -1.597 0.586 0.095 -0.897

SE 0.004 0.010 0.001 0.498 -0.900 0.175 0.020 0.280 -0.700

LB 0.890 0.538 -0.519 0.968 0.568 0.019 1.600 0.005 -1.216

LM 0.750 -1.236 -0.260 0.920 -1.128 0.220 2.083 0.006 -4.254

LE 0.112 -0.310 -1.401 -0.088 -0.234 -0.176 0.591 -1.874 0.498

 Ser-Glu

        HB HM HE SB SM SE LB LM LE

HB 2.498 -0.400 1.074 0.270 -0.249 0.004 0.914 1.425 0.006

HM 0.887 1.430 -4.044 0.092 0.091 -0.132 1.090 1.293 -0.268

HE 0.185 3.081 -7.655 0.019 0.030 -0.023 0.039 -0.111 -0.517

SB 0.385 0.184 0.017 2.977 2.294 -0.453 0.662 0.599 -0.624

SM 0.060 -0.231 0.050 -0.261 2.382 -0.960 0.428 0.433 -0.700

SE 0.005 0.012 0.001 0.219 0.118 0.093 0.024 0.081 0.179

LB 0.170 0.440 -0.133 0.349 -0.519 0.023 1.156 -1.818 -0.948

LM -0.202 -3.284 0.370 1.212 -0.303 0.318 1.526 -0.840 -1.894

LE -0.659 -3.334 1.607 0.222 -0.484 -0.247 0.128 0.191 -3.632

 Arg-Arg

        HB HM HE SB SM SE LB LM LE

HB 0.667 0.437 0.938 0.278 0.038 0.002 0.845 -0.139 0.077

HM 0.457 2.218 0.257 0.054 -0.243 0.241 0.083 0.695

HE -3.608 0.611 0.015 0.001 -0.146 0.155 -0.639

SB 1.486 1.046 0.282 0.166 0.665 0.126

SM 0.252 -1.292 0.199 -0.462 -1.639

SE -0.326 0.035 -0.178 0.031

LB 0.474 1.253 0.150

LM -0.017 -0.812

LE -0.426

 Arg-Gln

        HB HM HE SB SM SE LB LM LE

HB 2.161 0.625 -0.197 0.112 0.033 0.002 0.259 0.339 0.227

HM 1.613 1.547 -1.520 0.072 -0.133 0.006 0.137 0.649 -1.718

HE 0.072 0.102 -7.565 0.005 -0.011 0.001 0.058 -0.240 -1.351

SB 0.212 -0.064 0.005 2.341 1.561 0.206 0.219 0.377 -0.145

SM 0.001 -0.135 0.011 0.542 -1.175 0.688 0.112 -0.957 0.156

SE 0.002 -1.051 0.001 -0.031 0.070 0.024 0.010 0.067 -0.108

LB 0.593 0.421 0.022 0.355 0.159 0.010 0.969 0.715 -0.044

LM -0.328 1.425 0.304 0.300 0.086 0.287 0.377 -0.673 0.103

LE 0.119 0.280 0.087 0.155 -0.381 0.022 0.055 -0.304 -0.912

 Arg-Asp

        HB HM HE SB SM SE LB LM LE

HB 2.399 1.698 0.278 0.170 0.047 0.004 0.187 -0.010 0.011

HM 0.408 -3.451 2.602 -0.069 -0.054 0.009 0.446 -0.884 -0.838

HE -0.557 -10.334 -1.634 0.006 0.021 0.000 -0.060 -1.259 -0.410

SB 0.297 0.097 0.008 2.070 1.609 0.308 0.243 0.227 0.198

SM 0.156 0.053 0.211 1.018 -1.656 0.168 -0.113 -0.488 -0.271

SE 0.003 -0.421 0.001 -0.075 -1.925 0.155 -0.472 -0.362 -1.506

LB 0.503 0.338 0.028 0.759 0.493 0.014 0.577 1.403 0.458

LM 0.461 -0.452 0.183 -0.403 0.360 -0.349 -0.532 -2.950 -0.520

LE -0.398 -1.265 -0.505 0.079 0.209 0.033 0.032 -1.983 -1.393

 Arg-Lys

        HB HM HE SB SM SE LB LM LE

HB 2.714 0.424 -0.603 0.300 0.076 0.002 0.643 0.810 0.134

HM 2.738 -0.541 0.131 0.074 -0.006 -0.241 0.310 0.647 -2.351

HE 0.982 -1.632 -3.080 0.007 -0.902 0.001 0.025 -0.236 0.033

SB 0.139 0.070 0.010 2.345 1.020 0.671 0.722 0.825 0.305

SM 0.040 0.076 0.022 1.471 -1.608 -1.787 0.366 -0.126 -2.030

SE 0.002 0.008 0.001 0.499 -2.038 -0.468 0.015 0.075 -0.326

LB 0.599 0.189 0.025 0.633 -0.203 0.084 1.262 1.674 0.392

LM 0.603 0.154 -0.491 0.645 0.285 0.191 1.946 1.756 -1.976

LE 0.158 -0.585 0.461 0.499 -0.146 0.033 0.252 0.442 -1.415

 Arg-Glu

        HB HM HE SB SM SE LB LM LE

HB 2.736 2.521 0.139 0.183 0.047 0.003 0.441 0.603 0.175

HM -0.354 -4.978 1.109 0.155 0.204 0.010 -0.134 -0.055 -0.861

HE 0.431 -7.783 -1.374 0.008 0.018 0.002 -0.237 0.720 -0.332

SB 0.261 0.058 0.008 3.223 1.080 -0.256 0.531 0.305 -0.568

SM 0.042 0.179 0.017 0.384 -1.948 -0.496 0.357 -1.440 -0.140

SE 0.003 0.011 0.002 -0.244 -1.574 -0.628 0.182 -0.023 -0.380

LB 0.541 0.767 0.289 0.518 0.096 0.023 1.804 1.307 0.414

LM 0.731 -0.144 -0.490 0.061 -0.555 -0.070 -0.066 0.319 -0.367

LE -0.623 -0.826 0.314 -0.177 -0.263 -0.379 -1.351 -0.234 -0.367

 Gln-gln

        HB HM HE SB SM SE LB LM LE

HB 0.662 0.544 0.547 0.046 -0.060 0.002 -0.789 0.376 0.044

HM -0.989 -1.186 0.041 0.039 0.005 -0.022 0.229 -1.200

HE -0.878 0.006 -0.386 0.001 0.099 0.139 -2.033

SB 0.290 0.993 0.153 0.521 0.473 0.081

SM 0.078 -0.281 0.586 0.403 -0.582

SE 0.024 0.007 0.026 0.018

LB 0.063 0.482 0.614

LM 0.192 -0.051

LE 0.166

 Gln-asp

        HB HM HE SB SM SE LB LM LE

HB 2.084 3.212 0.782 -0.647 -0.063 0.002 0.298 0.263 0.165

HM 1.025 -1.587 -0.767 0.111 0.033 0.005 0.185 0.466 -0.891

HE 0.482 -3.087 0.293 0.008 0.013 0.001 0.024 -0.294 0.463

SB 0.140 0.056 -0.106 1.780 0.630 0.382 0.308 0.069 0.356

SM 0.038 0.043 0.013 0.199 -0.151 -0.675 -0.097 -0.052 0.218

SE 0.003 -0.198 0.001 0.191 -0.189 0.078 0.010 -0.209 -0.171

LB 0.321 0.252 0.087 0.210 0.198 0.011 0.803 1.507 0.274

LM 0.630 0.029 0.113 0.041 0.297 0.258 1.240 0.943 -0.542

LE -0.016 -0.466 -0.467 -0.338 -0.740 0.022 -0.610 -1.246 -0.341

 Gln-lys

        HB HM HE SB SM SE LB LM LE

HB 2.636 0.779 0.456 0.112 0.035 0.002 0.557 0.934 -0.057

HM 1.766 -0.260 -3.182 0.053 -0.312 0.006 0.360 0.215 -1.075

HE 0.466 0.602 -2.653 0.008 0.013 0.002 0.023 0.235 -1.360

SB 0.166 0.054 0.008 2.095 0.370 -0.268 0.385 0.391 0.136

SM 0.037 0.037 0.012 1.128 -4.058 -1.777 0.162 -0.623 -0.384

SE 0.002 0.006 0.002 0.386 -0.893 -1.303 0.126 0.083 0.064

LB 0.542 0.870 -0.129 0.392 0.188 0.086 1.332 0.774 0.014

LM 0.601 0.330 -0.322 0.472 0.412 -0.472 1.141 -0.926 -0.465

LE 0.105 1.125 -0.298 0.141 -0.277 0.050 0.189 0.920 -1.665

 Gln-glu

        HB HM HE SB SM SE LB LM LE

HB 1.247 1.133 -0.630 0.127 0.094 0.002 0.404 0.687 0.043

HM 2.370 0.841 -0.761 -0.040 -0.277 0.006 0.371 -0.681 0.582

HE 0.302 -2.782 -7.522 0.008 0.077 0.002 0.072 -0.010 0.194

SB 0.103 -0.054 0.008 1.447 0.486 0.018 0.662 0.804 0.112

SM 0.038 0.044 0.013 1.536 -2.082 0.003 0.327 -0.488 -0.346

SE 0.002 0.007 0.002 0.248 -0.075 -0.242 -0.006 0.040 -0.083

LB 0.436 0.659 0.279 0.370 -0.485 0.011 1.087 -0.145 -0.203

LM 0.440 -0.650 0.239 0.238 0.137 -0.104 0.836 1.351 -0.022

LE -0.095 -1.931 0.006 0.189 -0.295 -0.125 -0.269 -0.078 -0.036

 Asp-Asp

        HB HM HE SB SM SE LB LM LE

HB 1.269 1.031 0.538 0.199 0.057 0.003 0.676 0.335 0.367

HM -0.259 1.304 0.058 0.092 0.010 1.038 -0.448 0.601

HE -1.170 0.008 0.025 0.000 0.084 0.203 0.333

SB 2.015 1.944 0.282 0.035 0.085 0.022

SM -0.045 0.588 0.322 -0.029 0.176

SE 0.052 0.015 -0.228 0.036

LB 0.798 0.149 0.073

LM 1.381 0.110

LE -0.766

 Asp-lys

        HB HM HE SB SM SE LB LM LE

HB 3.494 2.120 -0.719 0.289 0.057 0.003 0.732 -0.344 -0.687

HM 2.399 -3.790 -4.735 0.229 -0.784 -0.352 0.666 -1.536 -0.555

HE 1.025 2.948 -2.104 0.010 0.025 0.001 0.083 0.211 -0.485

SB 0.388 0.057 0.012 2.943 2.582 0.412 0.826 0.472 0.176

SM 0.055 -0.061 0.052 1.383 1.754 0.027 0.294 -0.162 -1.035

SE 0.004 0.121 0.001 0.250 0.121 -0.479 0.029 -0.406 -0.085

LB 0.928 0.184 -0.756 0.711 -0.703 -0.030 1.707 0.795 -0.897

LM 0.274 -0.983 -1.362 0.249 -2.247 -3.100 1.922 -4.306 -8.441

LE 0.246 -0.468 -2.132 0.161 -0.539 -0.101 0.436 -0.338 -2.844

 Asp-glu

        HB HM HE SB SM SE LB LM LE

HB 2.390 2.193 -0.053 0.247 0.050 0.004 0.748 0.480 0.202

HM 3.351 -2.103 1.206 0.083 -0.403 0.009 0.945 1.026 -0.459

HE 0.117 1.922 -0.301 0.010 0.022 0.001 0.158 0.036 -0.262

SB 0.244 -0.058 0.010 3.764 2.382 0.260 -0.447 0.486 0.162

SM 0.083 -0.114 -0.144 2.424 1.312 0.306 0.455 1.147 0.163

SE 0.006 0.012 0.001 0.322 0.411 0.164 0.018 0.107 0.265

LB 0.025 0.074 -0.090 0.860 -0.318 0.044 1.575 0.870 0.267

LM 0.451 0.458 0.369 0.424 0.456 -0.810 2.235 2.006 -0.961

LE 0.249 -0.144 -0.920 0.116 0.406 -0.037 0.509 -0.001 -1.688

 Lys-lys

        HB HM HE SB SM SE LB LM LE

HB 1.925 4.534 -0.938 0.203 0.050 0.003 0.764 1.067 -0.081

HM -0.394 -1.523 0.102 0.121 0.013 0.633 0.873 -0.815

HE 1.208 0.178 -0.279 0.002 0.186 0.575 -2.561

SB 1.569 2.625 0.625 0.628 0.979 0.123

SM -0.917 -1.911 0.947 -0.173 -2.034

SE 0.032 0.042 0.275 -0.084

LB 0.797 2.086 0.526

LM 0.797 -1.012

LE -2.546

 Lys-glu

        HB HM HE SB SM SE LB LM LE

HB 4.439 3.037 0.392 -0.124 0.053 0.004 0.925 0.539 -0.853

HM 2.309 -3.158 -4.206 -0.041 0.053 0.000 0.325 0.225 -1.641

HE 0.297 -6.141 -1.626 0.013 0.070 -0.021 0.059 -0.321 -2.769

SB 0.193 0.235 0.013 3.394 2.560 0.568 0.726 1.085 0.032

SM -0.038 0.045 -0.091 1.796 -7.262 -1.194 0.463 0.183 -1.981

SE 0.003 -0.413 0.003 0.163 -3.182 -1.203 0.019 0.053 -0.481

LB 0.859 0.789 0.171 0.979 0.431 0.039 1.555 1.875 0.804

LM 0.817 0.673 -0.911 0.703 -0.298 -0.061 1.830 0.301 -2.850

LE -0.333 -2.227 -1.295 0.458 -2.082 0.026 0.434 -1.251 -2.852

 Glu-glu

        HB HM HE SB SM SE LB LM LE

HB 1.156 1.258 0.224 0.262 0.075 0.006 0.963 0.757 -1.101

HM -1.361 -4.547 0.095 -1.343 0.038 0.857 1.347 -1.563

HE 0.216 0.016 0.055 0.003 0.253 -0.029 0.066

SB 2.128 2.022 0.751 0.970 0.448 -0.743

SM 0.780 -0.250 0.695 0.064 -1.521

SE -0.370 0.026 0.065 -0.235

LB 1.145 1.382 -1.828

LM 0.613 -1.383

LE -0.782

The present invention configured as described above has an effect of easily predicting whether or not the mutant proteins cause disease without a practical experiment.

In addition, there are other effects that can be used to determine whether or not the disease effectively causes the disease even when the protein is unknown.

Claims (15)

A plurality of training protein groups representing a natural structure extracted from protein data of which amino acid sequence structure and tertiary structure by X-ray determination method are known; In the training protein group, A protein of length N _A and _B protein of length N _B (N _A ≤N _B ), the sequence of protein _A starting from the first amino acid of protein B without a gap and ending N _A times To produce one decoy structure of protein A, and to match the sequence of protein _A to the structure starting from the second amino acid of protein B and ending N _A + 1th, the other decoy structure of protein A. And repeat the method of generating another decoy structure of protein A by matching the sequence of protein _A to the structure starting from the third amino acid of protein B and ending with N _A + 2nd. A training decoy structural protein group formed by forming a decoy structure of the protein for each of the naturally occurring proteins involved; Includes all kinds of amino acids, ① local environment consisting of three classes of amino acids and three classes according to degree of hydrophobicity, ② local environment consisting of pairwise contact of two amino acids, ③ three kinds of amino acids Local environment including three classes of secondary structure and degree of hydrophobicity and pairwise contact of two amino acids, ④ three classes of secondary structure of amino acids and three classes of hydrophobicity, and lamachandran angle Local environment, ⑤ one of the five subenvironments of the local environment, including three secondary structures of amino acids and three classes of hydrophobicity, and a local environment that includes both rachidant angles and mating contacts. The energy (score) function H (s, Γ), which quantitatively represents the energy level when s is in the structure Γ, A score function (H (s, Γ ^D ))-an energy parameter calculated using the condition that the natural function score function (H (s, Γ))>0; Natural type proteins that do not belong to the training protein group; A variant protein / mutant protein group in which only one amino acid is mutated in the natural type protein sequence; The new decoy (decoy) formed with the natural protein type and the mutant protein / mutant protein group for the training protein group having the same or longer length than their own length, respectively, using the training protein group. Structural protein group; For the natural type protein and the mutant / mutant protein group, the approximate partition function represented by Equation 6 below and the specific heat represented by Equation 7 using the energy parameter obtained above By measuring the specific heat according to the temperature change, grasping the transition temperature corresponding to the highest specific heat value, and comparing the maximum specific heat value and transition temperature of the natural type protein and the mutant protein / mutant protein group, Structural stability analysis method of the genetic disease protein and mutant protein, characterized in that it is determined.

Where k is the Boltzmann constant and T is any temperature

The structural stability of the genetic disease protein and the mutant protein according to claim 1, wherein the energy function in the case of including a local environment composed of three classes of amino acids and three classes according to the degree of hydrophobicity is expressed by the following equation. Analytical Method.

Where n (i, m) is the number of amino acids in which the amino acid of type i lies in the m local environment, and ε (i, m) is the energy parameter associated with this amino acid. The method of claim 1, wherein the energy function in the case of including a local environment consisting of pairwise contacts with two amino acids is expressed by the following formula.

Here, n (i, j; k, l) is the number of amino acids in a local environment in which i, j-type amino acids connected in a pairwise contact are k, l, and ε (i, j k, l) is the energy parameter associated with these amino acids. According to claim 1, the energy function in the case of including a local environment consisting of three secondary structures of amino acids, three classes according to the degree of hydrophobicity and pairwise contact with two amino acids is represented by the following equation Structural stability analysis of the genetic disease protein and mutant protein characterized in that.

Where n (i, m) is the number of amino acids in which the amino acid of type i lies in the m local environment, ε (i, m) is the energy parameter associated with this amino acid, and n (i, j; k, l) Is the number of amino acids in the local environment where k, l of amino acids of the i, j form connected in pairwise contact form, and ε (i, j; k, l) is the energy associated with these amino acids. Is a parameter. The method of claim 1, wherein the energy function in the case of including the local environment in consideration of the Ramachandran angle of the amino acid is expressed by the following formula.

Where n (i, m) is the number of amino acids in the m local environment where the amino acid of form i is the Φ-Ψ matrix, and ε (i, m) is the energy parameter associated with this amino acid. The energy function of the genetic disease protein and the mutant protein according to claim 1, wherein the energy function in the case of including a local environment in consideration of the ramachandran angle of the amino acid and the pairwise contact of the two amino acids is expressed by the following equation. Structural Stability Analysis Method.

Where n (i, m) is the number of amino acids in the m local environment where the amino acid of type i is the Φ-Ψ matrix, ε (i, m) is the energy parameter associated with this amino acid, and n (i, j k, l is the number of amino acids in the local environment where k, l amino acids in the form of linked i, j are connected in a pairwise contact, and ε (i, j; k, l) is It is an energy parameter associated with amino acids. 7. The training protein group according to any one of claims 1 to 6, wherein the training protein group is (1) a protein having a structure not including a non-standard amino acid among the protein groups imported from PDB select and WhatIF, and (2) (3) Structural stability analysis method of a genetic disease protein and a mutant protein, characterized in that the protein is a structure having no chain, and (3) a protein without a modified structure. The method of any one of claims 1 to 6, wherein the energy parameter is calculated by neural network learning and protein threading test. The energy parameter according to any one of claims 1 to 6, wherein the energy parameter has a value such that the training decoy structure satisfies all the conditions of H (s, Γ ^D )-H (s, Γ)> 0. Structural stability analysis method of genetic disease proteins and mutant proteins, characterized in that. The energy parameter according to any one of claims 1 to 6, which is a solution that satisfies H (s, Γ ^D )-H (s, Γ), wherein (1) the score of the natural structure of a given protein is necessarily Must have a value lower than the average score of a random sequence with a certain amino acid composition on its natural structure, and (2) the score of the natural structure of a given protein must always be lower than the average score of its own sequence on the decoy structure. A method of structural stability analysis of a genetic disease protein and a mutant protein, which is obtained by calculating a score inequality that satisfies the condition of having. The method of claim 2, wherein 180 energy parameters are determined in consideration of the local environment. The method of claim 3, wherein the energy parameter considering the local environment is 16,290. 5. The method of claim 4, wherein 16,470 energy parameters are calculated in consideration of the local environment. The method of claim 5, wherein 14,580 energy parameters are calculated in consideration of the local environment. The method of claim 6, wherein 30,870 energy parameters are calculated in consideration of the local environment.

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