*HEADER   HYDROLASE(C-TERMINAL PEPTIDASE)         18-NOV-91   1PBA    
*COMPND   PROCARBOXYPEPTIDASE B (E.C.3.4.17.2) (ACTIVATION DOMAIN)    
*COMPND  2 (NMR, 19 STRUCTURES)                                       
*SOURCE   PORCINE (SUS SCROFA) PANCREAS                               
*AUTHOR   J.VENDRELL,G.WIDER,M.BILLETER,F.X.AVILES,K.WUTHRICH         
*REVDAT  1   31-OCT-93 1PBA    0                                      

HEADER    NMR DATA FOR 1ADB                       14-OCT-91   ADB.      ADB.   3
COMPND    ACTIVATION DOMAIN OF PROCARBOXYPEPTIDASE B                    1ADB   4
SOURCE    PORCINE                                                       1ADB   5
AUTHOR    J.VENDRELL,G.WIDER,M.BILLETER,F.X.AVILES,K.WUTHRICH           1ADB   6
COORDS    1ADB                                                          ADB.   6
REMARK   1                                                              1ADB   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1ADB   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE ACTIVATION DOMAIN  1ADB  10
REMARK   1 OF PROCARBOXYPEPTIDASE B BY NUCLEAR MAGNETIC RESONANCE IN    1ADB  11
REMARK   1 SOLUTION. THE DIFFERENT KINDS OF DATA TOGETHER WITH THE      1ADB  12
REMARK   1 CORRESPONDING RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING  1ADB  13
REMARK   1 TABLE. SEE REMARK 2 FOR THE DETAILS.                         1ADB  14
REMARK   1                                                              1ADB  15
REMARK   1 RECORD CONTENT                                     UNIT      1ADB  16
REMARK   1 ------ ------------------------------------------- --------- 1ADB  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1ADB  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1ADB  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1ADB  21
REMARK   1 HBUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  22
REMARK   1        FOR HYDROGEN BONDS                                    1ADB  23
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  24
REMARK   1        FOR DISULPHIDE BRIDGES                                1ADB  25
REMARK   1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  26
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1ADB  27
REMARK   1        (NOT USED HERE)                                       1ADB  28
REMARK   1 HBLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  29
REMARK   1        FOR HYDROGEN BONDS                                    1ADB  30
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ADB  31
REMARK   1        FOR DISULPHIDE BRIDGES                                1ADB  32
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1ADB  33
REMARK   1        AN ALLOWED INTERVAL                                   1ADB  34
REMARK   1                                                              1ADB  35
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 1ADB  36
REMARK   1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM      1ADB  37
REMARK   1 DISMAN AND REFINEMENT WITH AMBER IS GIVEN IN THE RECORDS     1ADB  38
REMARK   1 NOEUPP, HBUPP, SSUPP, HBLOW,SSLOW AND ANGLE.                 1ADB  39
REMARK   2                                                              1ADB  40
REMARK   2                                                              1ADB  41
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1ADB  42
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1ADB  43
REMARK   2 MASTER RECORD.                                               1ADB  44
REMARK   2                                                              1ADB  45
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1ADB  46
REMARK   2 ------ ----------------------------------------------------- 1ADB  47
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1ADB  48
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1ADB  49
REMARK   2        CHEMICAL SHIFT(S)                                     1ADB  50
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1ADB  51
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1ADB  52
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1ADB  53
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1ADB  54
REMARK   2        NAME, J-COUPLING CONSTANT                             1ADB  55
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1ADB  56
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1ADB  57
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1ADB  58
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1ADB  59
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1ADB  60
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1ADB  61
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1ADB  62
REMARK   2 HBUPP  SIMILAR TO NOEUPP                                     1ADB  63
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1ADB  64
REMARK   2 NOELOW SIMILAR TO NOEUPP, BUT WITH LOWER DISTANCE LIMITS     1ADB  65
REMARK   2 HBLOW  SIMILAR TO NOELOW                                     1ADB  66
REMARK   2 SSLOW  SIMILAR TO NOELOW                                     1ADB  67
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1ADB  68
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1ADB  69
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1ADB  70
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1ADB  71
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1ADB  72
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1ADB  73
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1ADB  74
REMARK   2        RECORDS                                               1ADB  75
REMARK   2        ('MASTER',4X,7I5)                                     1ADB  76
REMARK   3                                                              1ADB  77
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1ADB  78
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1ADB  79
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1ADB  80
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1ADB  81
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1ADB  82
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1ADB  83
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1ADB  84
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       1ADB  85
REMARK   3 ORDINATE FILE 1ADB.                                          1ADB  86
REMARK   4                                                              1ADB  87
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1ADB  88
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1ADB  89
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1ADB  90
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1ADB  91
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1ADB  92
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       1ADB  93
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  1ADB  94
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1ADB  95
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1ADB  96
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1ADB  97
REMARK   5                                                              1ADB  98
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1ADB  99
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1ADB 100
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1ADB 101
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1ADB 102
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1ADB 103
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1ADB 104
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1ADB 105
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       1ADB 106
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1ADB 107
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      1ADB 108
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. IN THE CASE  1ADB 109
REMARK   5 THE DELTA AND EPSILON PROTONS OF THE AROMATIC RINGS          1ADB 110
REMARK   5 ARE DEGENERATE, THE CHEMICAL SHIFTS ARE LISTED UNDER CG      1ADB 111
REMARK   5 AND CZ, RESPECTIVELY.                                        1ADB 112
REMARK   5                                                              1ADB 113
NOEUPP  HIS    6  HA  PHE    7  CG   7.00      QB  PHE    7  HN   5.08  ADB.   7
NOEUPP  PHE    7  HA  GLU-   8  HN   3.50                               ADB.   8
NOEUPP  GLU-   8  HN  GLU-   8  QG   6.00      QG  GLY    9  HN   6.00  ADB.   9
NOEUPP  GLY    9  HN  GLU-  10  HN   4.40     1HA  ALA   58  QB   6.00  ADB.  10
NOEUPP  GLY    9 2HA  ALA   58  QB   6.00                               ADB.  11
NOEUPP  GLU-  10  HN  GLU-  10 2HG   5.00      HN  GLU-  10 3HG   5.00  ADB.  12
NOEUPP  GLU-  10  HN  GLU-  10  QG   4.72      HA  LYS+  11  HN   3.20  ADB.  13
NOEUPP  LYS+  11  HN  LYS+  11  QB   3.68      HN  VAL   56  HN   4.60  ADB.  14
NOEUPP  LYS+  11  HA  VAL   12  HN   3.00     2HB  VAL   12  HN   3.70  ADB.  15
NOEUPP  LYS+  11 3HB  VAL   12  HN   3.70      QB  PHE   13  CG   7.88  ADB.  16
NOEUPP  LYS+  11  QB  PHE   13  CZ   7.48      QE  VAL   77  QQG  8.44  ADB.  17
NOEUPP  VAL   12  HN  VAL   12  HB   3.20      HA  PHE   13  HN   3.00  ADB.  18
NOEUPP  VAL   12  HA  PHE   13  CG   7.00      QQG PHE   13  HN   7.40  ADB.  19
NOEUPP  VAL   12  QQG TRP   38  HE3  7.40      QQG TRP   38  HZ3  7.40  ADB.  20
NOEUPP  VAL   12  QQG PHE   54  HN   7.40                               ADB.  21
NOEUPP  PHE   13  HA  ARG+  14  HN   3.50      QB  PHE   54  CZ   7.88  ADB.  22
NOEUPP  PHE   13  QB  GLU-  76  HN   5.88      CG  VAL   15  QG2  8.00  ADB.  23
NOEUPP  PHE   13  CG  VAL   56  QQG  9.56      CG  VAL   64  QQG  9.56  ADB.  24
NOEUPP  PHE   13  CG  LEU   68  QQD  9.57      CG  TYR   75  CG   9.00  ADB.  25
NOEUPP  PHE   13  CG  VAL   77  QG1  8.00      CG  VAL   77  QG2  8.00  ADB.  26
NOEUPP  PHE   13  CZ  VAL   56  HB   6.60      CZ  VAL   56  QQG  9.56  ADB.  27
NOEUPP  PHE   13  CZ  ILE   61  HA   7.00      CZ  ILE   61  QG2  8.00  ADB.  28
NOEUPP  PHE   13  CZ  ILE   61  QD1  8.00      CZ  VAL   64  QQG  9.56  ADB.  29
NOEUPP  PHE   13  CZ  GLU-  65  HA   7.00      CZ  GLU-  65  QB   7.88  ADB.  30
NOEUPP  PHE   13  CZ  GLU-  65  QG   8.00      CZ  LEU   68  QQD  9.57  ADB.  31
NOEUPP  PHE   13  CZ  VAL   77  QG1  8.00      CZ  VAL   77  QG2  8.00  ADB.  32
NOEUPP  PHE   13  HZ  ILE   61  QG2  4.50      HZ  ILE   61  QD1  6.00  ADB.  33
NOEUPP  PHE   13  HZ  VAL   64  QQG  7.56      HZ  GLU-  65  QB   5.18  ADB.  34
NOEUPP  PHE   13  HZ  GLU-  65  QG   5.20      HZ  VAL   77  QQG  7.56  ADB.  35
NOEUPP  ARG+  14  HN  ARG+  14 2HB   3.50      HN  ARG+  14 3HB   3.50  ADB.  36
NOEUPP  ARG+  14  HN  ARG+  14  QB   3.29      HN  VAL   77  HA   4.10  ADB.  37
NOEUPP  ARG+  14  HA  ARG+  14 2HG   4.00      HA  ARG+  14 3HG   4.00  ADB.  38
NOEUPP  ARG+  14  HA  ARG+  14  QG   3.75      HA  VAL   15  HN   3.00  ADB.  39
NOEUPP  ARG+  14  HA  VAL   15  QG2  6.00      HA  ASP-  53  HA   3.00  ADB.  40
NOEUPP  ARG+  14  HA  PHE   54  HN   4.20     2HB  ARG+  14  HE   4.50  ADB.  41
NOEUPP  ARG+  14 3HB  ARG+  14  HE   4.50      QB  ARG+  14  HE   4.17  ADB.  42
NOEUPP  ARG+  14 2HG  ARG+  14  HE   4.20     3HG  ARG+  14  HE   4.20  ADB.  43
NOEUPP  ARG+  14  QG  ARG+  14  HE   3.96     2HD  ARG+  14  QH1  5.20  ADB.  44
NOEUPP  ARG+  14 2HD  THR   51  QG2  6.00     2HD  LEU   78  QD1  9.14  ADB.  45
NOEUPP  ARG+  14 2HD  LEU   78  QD2  9.14     3HD  ARG+  14  QH1  5.20  ADB.  46
NOEUPP  ARG+  14 3HD  THR   51  QG2  6.00     3HD  LEU   78  QD1  9.14  ADB.  47
NOEUPP  ARG+  14 3HD  LEU   78  QD2  9.14      QD  ARG+  14  QH1  4.98  ADB.  48
NOEUPP  ARG+  14  QD  LEU   78  QQD  7.52      HE  LEU   78  QD1  6.00  ADB.  49
NOEUPP  ARG+  14  HE  LEU   78  QD2  6.00                               ADB.  50
NOEUPP  VAL   15  HN  VAL   15  HB   3.40      HN  VAL   52  HN   3.80  ADB.  51
NOEUPP  VAL   15  HN  ASP-  53  HA   4.20      HA  TYR   75  HA   2.80  ADB.  52
NOEUPP  VAL   15  HA  TYR   75 2HB   4.90      HA  TYR   75 3HB   4.90  ADB.  53
NOEUPP  VAL   15  HA  TYR   75  QB   4.57      HA  GLU-  76  HN   3.70  ADB.  54
NOEUPP  VAL   15  HB  PHE   54  CZ   6.50      QG1 ASN   16  HN   5.30  ADB.  55
NOEUPP  VAL   15  QG1 PHE   54  CZ   8.00      QG1 TYR   75  HA   6.00  ADB.  56
NOEUPP  VAL   15  QG1 TYR   75  QB   6.88      QG2 ASN   16  HN   6.00  ADB.  57
NOEUPP  VAL   15  QG2 PHE   54  CG   8.00      QG2 PHE   54  CZ   8.00  ADB.  58
NOEUPP  VAL   15  QG2 PHE   54  HZ   6.00      QG2 LEU   68  QQD  8.57  ADB.  59
NOEUPP  VAL   15  QG2 TYR   75  HA   6.00      QG2 TYR   75 2HB   6.00  ADB.  60
NOEUPP  VAL   15  QG2 TYR   75 3HB   6.00                               ADB.  61
NOEUPP  ASN   16  HN  ASN   16 2HB   3.50      HN  ASN   16 3HB   3.50  ADB.  62
NOEUPP  ASN   16  HN  ASN   16  QB   3.24      HN  TYR   75  HA   4.20  ADB.  63
NOEUPP  ASN   16  HA  VAL   17  HN   3.20      HA  THR   51  HA   3.00  ADB.  64
NOEUPP  ASN   16  HA  THR   51  QG2  5.70      HA  VAL   52  HN   3.70  ADB.  65
NOEUPP  ASN   16 2HB  GLN   74  QB   5.80     3HB  GLN   74  QB   5.80  ADB.  66
NOEUPP  ASN   16  QB  GLN   74  QB   5.44     1HD2 THR   51  QG2  6.00  ADB.  67
NOEUPP  ASN   16 1HD2 GLN   74  QB   6.00                               ADB.  68
NOEUPP  VAL   17  HN  VAL   17  HB   3.10      HN  SER   50  HN   4.50  ADB.  69
NOEUPP  VAL   17  HN  THR   51  HA   3.70      HA  GLU-  18  HN   2.70  ADB.  70
NOEUPP  VAL   17  HA  ASP-  19  HN   4.10      HA  ASP-  22 2HB   3.40  ADB.  71
NOEUPP  VAL   17  HA  ASP-  22 3HB   3.40      HB  ASP-  22  QB   5.88  ADB.  72
NOEUPP  VAL   17  HB  SER   50  HN   4.00      QG1 GLU-  18  HN   6.00  ADB.  73
NOEUPP  VAL   17  QG1 ASP-  22 2HB   9.12      QG1 ASP-  22 3HB   9.12  ADB.  74
NOEUPP  VAL   17  QG1 PRO   48  HA   6.00      QG1 HIS   49  HN   6.00  ADB.  75
NOEUPP  VAL   17  QG1 SER   50  HN   6.00      QG1 VAL   52  QG1 10.12  ADB.  76
NOEUPP  VAL   17  QG1 VAL   52  QG2 10.12      QG2 GLU-  18  HN   6.00  ADB.  77
NOEUPP  VAL   17  QG2 ASP-  22 2HB   9.12      QG2 ASP-  22 3HB   9.12  ADB.  78
NOEUPP  VAL   17  QG2 PRO   48  HA   6.00      QG2 HIS   49  HN   6.00  ADB.  79
NOEUPP  VAL   17  QG2 SER   50  HN   6.00      QG2 VAL   52  QG1 10.12  ADB.  80
NOEUPP  VAL   17  QG2 VAL   52  QG2 10.12      QQG ASP-  19  HN   7.56  ADB.  81
NOEUPP  VAL   17  QQG ASP-  22  HN   7.56      QQG ASP-  22  QB   7.12  ADB.  82
NOEUPP  VAL   17  QQG ILE   23  HN   7.56      QQG ILE   23  QG1  8.24  ADB.  83
NOEUPP  VAL   17  QQG ILE   23  QD1  8.56      QQG THR   51  HA   7.56  ADB.  84
NOEUPP  VAL   17  QQG VAL   52  QQG  7.33                               ADB.  85
NOEUPP  GLU-  18  HN  GLU-  18 2HB   3.40      HN  GLU-  18 3HB   3.40  ADB.  86
NOEUPP  GLU-  18  HN  GLU-  18 2HG   5.00      HN  GLU-  18 3HG   5.00  ADB.  87
NOEUPP  GLU-  18  HN  GLU-  18  QG   4.72      HN  ASP-  19  HN   3.10  ADB.  88
NOEUPP  GLU-  18  HN  ASP-  22 2HB   3.70      HN  ASP-  22 3HB   3.70  ADB.  89
NOEUPP  GLU-  18  HN  ASP-  22  QB   3.49     2HB  ASP-  19  HN   3.60  ADB.  90
NOEUPP  GLU-  18 3HB  ASP-  19  HN   3.60                               ADB.  91
NOEUPP  ASP-  19  HN  ASP-  19 2HB   3.90      HN  ASP-  19 3HB   3.80  ADB.  92
NOEUPP  ASP-  19  HN  ASP-  22  HN   4.00      HN  ASP-  22 2HB   3.90  ADB.  93
NOEUPP  ASP-  19  HN  ASP-  22 3HB   3.90      HN  ASP-  22  QB   3.65  ADB.  94
NOEUPP  ASP-  19  HN  ILE   23  QD1  6.00      HA  ASP-  19 2HB   2.90  ADB.  95
NOEUPP  ASP-  19  HA  ASP-  19 3HB   3.00      HA  GLU-  20  HN   3.10  ADB.  96
NOEUPP  ASP-  19  HA  PRO   48  HA   4.00      HA  PRO   48 2HB   3.80  ADB.  97
NOEUPP  ASP-  19  HA  PRO   48 3HB   3.60     2HB  GLU-  20  HN   2.90  ADB.  98
NOEUPP  ASP-  19 2HB  ASN   21  HN   4.10     3HB  GLU-  20  HN   3.20  ADB.  99
NOEUPP  GLU-  20  HN  GLU-  20 2HB   3.30      HN  GLU-  20 3HB   3.30  ADB. 100
NOEUPP  GLU-  20  HN  GLU-  20 2HG   4.50      HN  GLU-  20 3HG   4.50  ADB. 101
NOEUPP  GLU-  20  HN  ASN   21  HN   3.40      HA  ILE   23  HN   3.30  ADB. 102
NOEUPP  GLU-  20  HA  ILE   23  HB   2.90      HA  ILE   23  QG2  6.00  ADB. 103
NOEUPP  GLU-  20  HA  ILE   23  QG1  4.68      HA  ILE   23  QD1  3.70  ADB. 104
NOEUPP  GLU-  20  HA  SER   24  HN   4.10     2HB  ASN   21  HN   3.80  ADB. 105
NOEUPP  GLU-  20 3HB  ASN   21  HN   3.80                               ADB. 106
NOEUPP  ASN   21  HN  ASN   21 2HB   2.90      HN  ASN   21 3HB   3.10  ADB. 107
NOEUPP  ASN   21  HN  ASP-  22  HN   3.10      HN  ILE   23  HN   4.60  ADB. 108
NOEUPP  ASN   21  HA  ASN   21 2HB   2.90      HA  SER   24  HN   3.70  ADB. 109
NOEUPP  ASN   21  HA  SER   24  QB   4.40     2HB  ASN   21 1HD2  4.10  ADB. 110
NOEUPP  ASN   21 2HB  ASP-  22  HN   3.70     3HB  ASN   21 1HD2  3.50  ADB. 111
NOEUPP  ASN   21 3HB  ASP-  22  HN   3.40                               ADB. 112
NOEUPP  ASP-  22  HN  ASP-  22 2HB   3.60      HN  ASP-  22 3HB   3.60  ADB. 113
NOEUPP  ASP-  22  HN  ASP-  22  QB   3.29      HN  ILE   23  HN   3.30  ADB. 114
NOEUPP  ASP-  22  HN  LEU   73  QQD  7.57      HA  GLU-  25  HN   3.90  ADB. 115
NOEUPP  ASP-  22  HA  GLU-  25 2HB   3.90      HA  GLU-  25 3HB   3.90  ADB. 116
NOEUPP  ASP-  22  HA  GLU-  25  QB   3.60      HA  LEU   26  HN   4.60  ADB. 117
NOEUPP  ASP-  22  HA  LEU   73  QQD  5.57     2HB  ILE   23  HN   4.00  ADB. 118
NOEUPP  ASP-  22 3HB  ILE   23  HN   4.00      QB  ILE   23  HN   3.65  ADB. 119
NOEUPP  ASP-  22  QB  LEU   73  QQD  8.45                               ADB. 120
NOEUPP  ILE   23  HN  ILE   23  HB   3.00      HN  ILE   23  QG1  3.88  ADB. 121
NOEUPP  ILE   23  HN  ILE   23  QD1  5.00      HN  SER   24  HN   3.30  ADB. 122
NOEUPP  ILE   23  HA  ILE   23  QG2  3.60      HA  ILE   23  QD1  4.60  ADB. 123
NOEUPP  ILE   23  HA  LEU   26  HN   3.80      HA  LEU   26 2HB   4.30  ADB. 124
NOEUPP  ILE   23  HA  LEU   26 3HB   4.30      HA  LEU   26  QB   4.06  ADB. 125
NOEUPP  ILE   23  HA  LEU   26  QQD  7.57      HB  SER   24  HN   3.10  ADB. 126
NOEUPP  ILE   23  QG2 ILE   23  QD1  4.10      QG2 SER   24  HN   6.00  ADB. 127
NOEUPP  ILE   23  QG2 SER   24  HA   6.00      QG2 HIS   27  HD2  4.80  ADB. 128
NOEUPP  ILE   23  QG2 HIS   27  HE1  6.00      QG2 ILE   46  HB   5.50  ADB. 129
NOEUPP  ILE   23  QD1 SER   24  HN   6.00      QD1 ILE   46  QG2  4.60  ADB. 130
NOEUPP  ILE   23  QD1 LYS+  47  HA   6.00      QD1 PRO   48  HA   5.80  ADB. 131
NOEUPP  ILE   23  QD1 PRO   48 2HG   6.00      QD1 PRO   48 3HG   6.00  ADB. 132
NOEUPP  ILE   23  QD1 PRO   48  QG   5.59      QD1 PRO   48 2HD   6.00  ADB. 133
NOEUPP  ILE   23  QD1 PRO   48 3HD   6.00                               ADB. 134
NOEUPP  SER   24  HN  SER   24  QB   3.90      HN  GLU-  25  HN   3.20  ADB. 135
NOEUPP  SER   24  HA  HIS   27  HN   4.50      HA  HIS   27 2HB   3.40  ADB. 136
NOEUPP  SER   24  HA  HIS   27 3HB   3.80      HA  HIS   27  HD2  5.00  ADB. 137
NOEUPP  GLU-  25  HN  GLU-  25  QB   3.59      HN  GLU-  25  QG   4.50  ADB. 138
NOEUPP  GLU-  25  HN  LEU   26  HN   3.40      HN  LEU   73  QD1  6.00  ADB. 139
NOEUPP  GLU-  25  HN  LEU   73  QD2  6.00      HA  GLU-  28 2HB   3.80  ADB. 140
NOEUPP  GLU-  25  HA  GLU-  28 3HB   3.70      HA  PHE   67  CZ   7.00  ADB. 141
NOEUPP  GLU-  25  HA  PHE   67  HZ   3.80     2HB  LEU   26  HN   4.00  ADB. 142
NOEUPP  GLU-  25 2HB  PHE   67  CZ   7.00     2HB  PHE   67  HZ   5.00  ADB. 143
NOEUPP  GLU-  25 3HB  LEU   26  HN   4.00     3HB  PHE   67  CZ   7.00  ADB. 144
NOEUPP  GLU-  25 3HB  PHE   67  HZ   5.00      QB  LEU   26  HN   3.70  ADB. 145
NOEUPP  GLU-  25  QB  PHE   67  CZ   6.41      QB  PHE   67  HZ   4.35  ADB. 146
NOEUPP  GLU-  25  QB  LEU   73  QD1  7.00      QB  LEU   73  QD2  7.00  ADB. 147
NOEUPP  LEU   26  HN  LEU   26 2HB   3.20      HN  LEU   26 3HB   3.20  ADB. 148
NOEUPP  LEU   26  HN  LEU   26  QB   2.98      HN  LEU   26  HG   4.00  ADB. 149
NOEUPP  LEU   26  HN  LEU   26  QD1  6.00      HN  LEU   26  QD2  6.00  ADB. 150
NOEUPP  LEU   26  HN  HIS   27  HN   3.50      HN  LEU   73  QQD  7.57  ADB. 151
NOEUPP  LEU   26  HA  LEU   26  HG   3.80      HA  LEU   26  QD1  6.00  ADB. 152
NOEUPP  LEU   26  HA  LEU   26  QD2  6.00      HA  LEU   29  HN   3.80  ADB. 153
NOEUPP  LEU   26  HA  LEU   29 2HB   3.80      HA  LEU   29 3HB   3.80  ADB. 154
NOEUPP  LEU   26  HA  LEU   29  QB   3.50      HA  LEU   29  QD2  6.00  ADB. 155
NOEUPP  LEU   26  HG  PHE   37  HZ   4.70      QD1 PHE   37  CG   8.00  ADB. 156
NOEUPP  LEU   26  QD1 PHE   37  CZ   8.00      QD1 PHE   54  CZ   8.00  ADB. 157
NOEUPP  LEU   26  QD2 PHE   37  CG   8.00      QD2 PHE   37  CZ   8.00  ADB. 158
NOEUPP  LEU   26  QD2 PHE   54  CZ   8.00                               ADB. 159
NOEUPP  HIS   27  HN  HIS   27 2HB   3.10      HN  HIS   27 3HB   3.70  ADB. 160
NOEUPP  HIS   27  HN  GLU-  28  HN   3.70      HA  HIS   27 2HB   3.00  ADB. 161
NOEUPP  HIS   27  HA  HIS   27  HD2  5.00      HA  ALA   30  QB   4.60  ADB. 162
NOEUPP  HIS   27  HA  VAL   43  QG2  6.00     2HB  GLU-  28  HN   3.50  ADB. 163
NOEUPP  HIS   27 3HB  GLU-  28  HN   4.00      HD2 VAL   43  QG1  6.00  ADB. 164
NOEUPP  HIS   27  HD2 VAL   43  QG2  6.00      HE1 VAL   43  QG1  6.00  ADB. 165
NOEUPP  HIS   27  HE1 VAL   43  QG2  6.00      HE1 THR   44  HA   4.60  ADB. 166
NOEUPP  HIS   27  HE1 THR   44  QG2  6.00                               ADB. 167
NOEUPP  GLU-  28  HN  GLU-  28 2HB   3.10      HN  GLU-  28 3HB   3.00  ADB. 168
NOEUPP  GLU-  28  HN  GLU-  28  QG   5.68      HN  LEU   29  HN   3.30  ADB. 169
NOEUPP  GLU-  28  HA  GLU-  28 2HB   3.00     3HB  LEU   29  HN   3.60  ADB. 170
NOEUPP  GLU-  28 2HG  PHE   67  CZ   7.00     2HG  PHE   67  HZ   5.00  ADB. 171
NOEUPP  GLU-  28 3HG  PHE   67  CZ   7.00     3HG  PHE   67  HZ   5.00  ADB. 172
NOEUPP  GLU-  28  QG  PHE   67  HZ   4.44                               ADB. 173
NOEUPP  LEU   29  HN  LEU   29 2HB   3.30      HN  LEU   29 3HB   3.30  ADB. 174
NOEUPP  LEU   29  HN  LEU   29  HG   5.00      HN  LEU   29  QD1  6.00  ADB. 175
NOEUPP  LEU   29  HN  ALA   30  HN   3.30      HN  PHE   67  CZ   7.00  ADB. 176
NOEUPP  LEU   29  HA  LEU   29  QD1  3.80      HA  LEU   29  QD2  6.00  ADB. 177
NOEUPP  LEU   29  HA  THR   32  QG2  6.00      QB  ILE   35  QD1  6.88  ADB. 178
NOEUPP  LEU   29  QB  PHE   67  CG   7.88      QB  PHE   67  CZ   7.88  ADB. 179
NOEUPP  LEU   29  QB  PHE   67  HZ   5.88      HG  ILE   35  QD1  6.00  ADB. 180
NOEUPP  LEU   29  QD1 THR   32  QG2  7.00      QD1 ARG+  33 2HG   6.00  ADB. 181
NOEUPP  LEU   29  QD1 ARG+  33 3HG   6.00      QD1 ILE   35  QD1  7.00  ADB. 182
NOEUPP  LEU   29  QD1 VAL   64  HA   6.00      QD1 VAL   64  QQG  7.16  ADB. 183
NOEUPP  LEU   29  QD1 PHE   67 2HB   6.00      QD1 PHE   67 3HB   6.00  ADB. 184
NOEUPP  LEU   29  QD1 PHE   67  CG   8.00      QD1 PHE   67  CZ   8.00  ADB. 185
NOEUPP  LEU   29  QD2 ILE   35  QD1  7.00      QD2 VAL   64  HA   6.00  ADB. 186
NOEUPP  LEU   29  QD2 PHE   67  CG   8.00      QD2 PHE   67  CZ   8.00  ADB. 187
NOEUPP  ALA   30  HN  ALA   30  QB   3.20      HN  SER   31  HN   3.50  ADB. 188
NOEUPP  ALA   30  HA  ILE   35  QG1  5.48      HA  ILE   35  QD1  6.00  ADB. 189
NOEUPP  ALA   30  QB  PHE   37  CG   8.00      QB  PHE   37  CZ   8.00  ADB. 190
NOEUPP  ALA   30  QB  PHE   37  HZ   6.00                               ADB. 191
NOEUPP  SER   31  HN  SER   31 2HB   3.80      HN  SER   31 3HB   3.80  ADB. 192
NOEUPP  SER   31  HN  SER   31  QB   3.50     2HB  THR   32  HN   4.30  ADB. 193
NOEUPP  SER   31 3HB  THR   32  HN   4.30      QB  THR   32  HN   4.06  ADB. 194
NOEUPP  SER   31  QB  THR   32  QG2  6.88                               ADB. 195
NOEUPP  THR   32  HN  THR   32  HB   3.90      HN  ARG+  33  HN   2.90  ADB. 196
NOEUPP  THR   32  HA  THR   32  HB   3.00      HA  THR   32  QG2  3.60  ADB. 197
NOEUPP  THR   32  HA  ARG+  33  HN   3.60      QG2 ARG+  33  HN   6.00  ADB. 198
NOEUPP  ARG+  33  HN  ARG+  33 2HB   3.80      HN  ARG+  33 3HB   3.80  ADB. 199
NOEUPP  ARG+  33  HN  ARG+  33  QB   3.60      HN  GLN   34  HN   4.60  ADB. 200
NOEUPP  ARG+  33  HA  ARG+  33  QD   4.78      HA  GLN   34  HN   3.40  ADB. 201
NOEUPP  ARG+  33  QB  ARG+  33  HE   4.58      QB  ARG+  33  QH1  6.88  ADB. 202
NOEUPP  ARG+  33  QD  ARG+  33  QH1  6.88                               ADB. 203
NOEUPP  GLN   34  HA  ILE   35  HN   3.30                               ADB. 204
NOEUPP  ILE   35  HN  ILE   35  QG1  5.78      QG2 ASP-  36  HN   6.00  ADB. 205
NOEUPP  ILE   35  QG2 PHE   37  CG   8.00      QG2 PHE   37  CZ   8.00  ADB. 206
NOEUPP  ILE   35  QG2 PHE   54  CG   8.00      QG2 PHE   54  CZ   8.00  ADB. 207
NOEUPP  ILE   35  QG2 VAL   64  QG1  7.00      QG2 VAL   64  QG2  7.00  ADB. 208
NOEUPP  ILE   35  QG2 VAL   64  QQG  5.97      QD1 PHE   37  CG   8.00  ADB. 209
NOEUPP  ILE   35  QD1 PHE   37  CZ   8.00      QD1 PHE   54  CG   8.00  ADB. 210
NOEUPP  ILE   35  QD1 PHE   54  CZ   8.00      QD1 VAL   64  QQG  8.56  ADB. 211
NOEUPP  ASP-  36  HA  PHE   37  HN   3.40                               ADB. 212
NOEUPP  PHE   37  HN  PHE   37  QB   3.80      HA  TRP   38  HN   2.90  ADB. 213
NOEUPP  PHE   37  HA  PHE   54  HA   3.60      HA  PHE   54  CG   7.00  ADB. 214
NOEUPP  PHE   37  QB  SER   42  HA   5.78      CG  VAL   43  HB   7.00  ADB. 215
NOEUPP  PHE   37  CG  VAL   43  QG1  8.00      CG  VAL   43  QG2  8.00  ADB. 216
NOEUPP  PHE   37  CG  VAL   52  HB   7.00      CG  VAL   52  QG1  8.00  ADB. 217
NOEUPP  PHE   37  CG  VAL   52  QG2  8.00      CG  PHE   54  CG   9.00  ADB. 218
NOEUPP  PHE   37  CZ  VAL   43  HB   7.00      CZ  VAL   43  QG1  8.00  ADB. 219
NOEUPP  PHE   37  CZ  VAL   43  QG2  8.00      CZ  VAL   52  HB   7.00  ADB. 220
NOEUPP  PHE   37  CZ  VAL   52  QG1  8.00      CZ  VAL   52  QG2  8.00  ADB. 221
NOEUPP  TRP   38  HN  TRP   38  QB   3.91      HN  LYS+  39  HN   3.20  ADB. 222
NOEUPP  TRP   38  HN  PHE   54  HA   4.10      HA  TRP   38  HD1  3.60  ADB. 223
NOEUPP  TRP   38  HA  TRP   38  HE3  5.00     2HB  LYS+  39  HN   5.00  ADB. 224
NOEUPP  TRP   38 3HB  LYS+  39  HN   5.00                               ADB. 225
NOEUPP  LYS+  39  HN  ASP-  53  HN   4.00      HN  ASP-  53 2HB   5.00  ADB. 226
NOEUPP  LYS+  39  HN  ASP-  53 3HB   5.00      HN  ASP-  53  QB   4.72  ADB. 227
NOEUPP  LYS+  39  HA  PRO   40  HA   2.60      HA  ASP-  41  HN   4.20  ADB. 228
NOEUPP  LYS+  39 2HB  ASP-  53  HN   5.00     3HB  ASP-  53  HN   5.00  ADB. 229
NOEUPP  PRO   40  HA  ASP-  41  HN   3.50     2HB  ASP-  41  HN   3.20  ADB. 230
NOEUPP  PRO   40 3HB  ASP-  41  HN   3.60     2HD  VAL   52  HA   4.10  ADB. 231
NOEUPP  PRO   40 2HD  VAL   52  QG1  6.00     2HD  VAL   52  QG2  6.00  ADB. 232
NOEUPP  PRO   40 3HD  VAL   52  HA   4.10     3HD  VAL   52  QG1  6.00  ADB. 233
NOEUPP  PRO   40 3HD  VAL   52  QG2  6.00      QD  VAL   52  HA   3.90  ADB. 234
NOEUPP  ASP-  41  HN  ASP-  41 2HB   3.60      HN  ASP-  41 3HB   3.60  ADB. 235
NOEUPP  ASP-  41  HN  SER   42  HN   3.40                               ADB. 236
NOEUPP  SER   42  HN  SER   42 2HB   3.90      HN  SER   42 3HB   3.90  ADB. 237
NOEUPP  SER   42  HN  SER   42  QB   3.70      HA  VAL   43  HN   2.90  ADB. 238
NOEUPP  SER   42  HA  THR   44  HN   4.40      QB  THR   44  HN   5.28  ADB. 239
NOEUPP  VAL   43  HN  VAL   43  HB   3.00      HN  THR   44  HN   3.60  ADB. 240
NOEUPP  VAL   43  HA  GLN   45  HN   5.00      HA  ILE   46  HB   3.70  ADB. 241
NOEUPP  VAL   43  HA  ILE   46  QG2  6.00      HA  ILE   46  QD1  5.40  ADB. 242
NOEUPP  VAL   43  HB  THR   44  HN   4.40      QG1 THR   44  HN   4.90  ADB. 243
NOEUPP  VAL   43  QG1 THR   44  HA   6.00      QG1 THR   44  QG2  5.90  ADB. 244
NOEUPP  VAL   43  QG2 THR   44  HN   6.00      QG2 THR   44  QG2  7.00  ADB. 245
NOEUPP  THR   44  HN  THR   44  HB   3.80      HN  THR   44  QG2  4.40  ADB. 246
NOEUPP  THR   44  HA  THR   44  HB   2.70      HA  THR   44  QG2  2.90  ADB. 247
NOEUPP  THR   44  HA  ILE   46  HN   4.70      QG2 GLN   45  HN   6.00  ADB. 248
NOEUPP  GLN   45  HN  GLN   45 2HG   5.00      HN  GLN   45 3HG   5.00  ADB. 249
NOEUPP  GLN   45  HN  GLN   45  QG   4.27      HN  ILE   46  HN   3.20  ADB. 250
NOEUPP  GLN   45  HA  GLN   45  QG   3.77                               ADB. 251
NOEUPP  ILE   46  HN  ILE   46  QD1  6.00      HA  ILE   46  HB   3.00  ADB. 252
NOEUPP  ILE   46  HA  ILE   46  QG2  3.60      HA  LYS+  47  HN   3.10  ADB. 253
NOEUPP  ILE   46  HB  ILE   46  QD1  3.40      QG2 LYS+  47  HN   6.00  ADB. 254
NOEUPP  ILE   46  QG2 VAL   52  QG1  7.00      QG2 VAL   52  QG2  7.00  ADB. 255
NOEUPP  ILE   46  QG2 VAL   52  QQG  6.33      QD1 VAL   52  QG1  7.00  ADB. 256
NOEUPP  ILE   46  QD1 VAL   52  QG2  7.00                               ADB. 257
NOEUPP  LYS+  47  HA  PRO   48 2HD   2.90      HA  PRO   48 3HD   2.50  ADB. 258
NOEUPP  LYS+  47 2HB  PRO   48 2HD   4.40     2HB  PRO   48 3HD   5.00  ADB. 259
NOEUPP  LYS+  47 3HB  PRO   48 2HD   4.40     3HB  PRO   48 3HD   5.00  ADB. 260
NOEUPP  LYS+  47  QB  PRO   48 2HD   3.92      QB  PRO   48 3HD   4.72  ADB. 261
NOEUPP  PRO   48  HA  HIS   49  HN   2.80      HA  SER   50  HN   4.30  ADB. 262
NOEUPP  PRO   48 2HB  HIS   49  HN   3.70     2HB  HIS   49  HD2  4.00  ADB. 263
NOEUPP  PRO   48 3HB  HIS   49  HN   4.00     3HB  HIS   49  HD2  5.00  ADB. 264
NOEUPP  PRO   48  QG  HIS   49  HD2  5.88                               ADB. 265
NOEUPP  HIS   49  HN  HIS   49  HA   2.70      HN  SER   50  HN   3.20  ADB. 266
NOEUPP  HIS   49  HA  HIS   49  HD2  5.00      HA  SER   50  HN   3.10  ADB. 267
NOEUPP  HIS   49  QB  SER   50  HN   5.48                               ADB. 268
NOEUPP  SER   50  HA  SER   50 2HB   2.90      HA  SER   50 3HB   2.90  ADB. 269
NOEUPP  SER   50 2HB  THR   51  HN   3.90     3HB  THR   51  HN   3.90  ADB. 270
NOEUPP  SER   50  QB  THR   51  HN   3.55                               ADB. 271
NOEUPP  THR   51  HN  THR   51  HB   3.70      HA  VAL   52  HN   2.90  ADB. 272
NOEUPP  THR   51  HA  VAL   52  QQG  7.56      HB  VAL   52  HN   3.60  ADB. 273
NOEUPP  THR   51  QG2 VAL   52  HN   6.00                               ADB. 274
NOEUPP  VAL   52  HN  VAL   52  HB   3.70      HA  ASP-  53  HN   2.80  ADB. 275
NOEUPP  VAL   52  HB  ASP-  53  HN   4.20      QG1 ASP-  53  HN   6.00  ADB. 276
NOEUPP  VAL   52  QG2 ASP-  53  HN   6.00      QQG PHE   54  CG   9.56  ADB. 277
NOEUPP  VAL   52  QQG PHE   54  CZ   9.56                               ADB. 278
NOEUPP  ASP-  53  HN  ASP-  53 2HB   4.00      HN  ASP-  53 3HB   4.00  ADB. 279
NOEUPP  ASP-  53  HN  ASP-  53  QB   3.65      HA  PHE   54  HN   2.90  ADB. 280
NOEUPP  PHE   54  HA  ARG+  55  HN   3.60      CG  VAL   64  QQG  9.56  ADB. 281
NOEUPP  PHE   54  CZ  VAL   64  QG1  8.00      CZ  VAL   64  QG2  8.00  ADB. 282
NOEUPP  PHE   54  CZ  VAL   64  QQG  7.45      HZ  VAL   64  QQG  7.56  ADB. 283
NOEUPP  PHE   54  HZ  LEU   68  QD1  6.00      HZ  LEU   68  QD2  6.00  ADB. 284
NOEUPP  ARG+  55  HA  VAL   56  HN   3.20                               ADB. 285
NOEUPP  VAL   56  HN  VAL   56  HB   3.40      HA  LYS+  57  HN   3.00  ADB. 286
NOEUPP  VAL   56  QQG LYS+  57  HN   7.56                               ADB. 287
NOEUPP  LYS+  57  HN  LYS+  57 2HB   3.70      HN  LYS+  57 3HB   3.70  ADB. 288
NOEUPP  LYS+  57  HN  LYS+  57  QB   3.49                               ADB. 289
NOEUPP  ALA   58  HA  GLU-  59  HN   3.60      HA  ILE   61  HN   4.00  ADB. 290
NOEUPP  ALA   58  HA  ILE   61  HB   4.10      HA  ILE   61  QG2  6.00  ADB. 291
NOEUPP  ALA   58  HA  ILE   61  QD1  3.90      QB  GLU-  59  HN   3.80  ADB. 292
NOEUPP  ALA   58  QB  ASP-  60  HN   6.00      QB  ILE   61  QD1  7.00  ADB. 293
NOEUPP  GLU-  59  HN  GLU-  59 2HG   5.00      HN  GLU-  59 3HG   5.00  ADB. 294
NOEUPP  GLU-  59  HN  GLU-  59  QG   4.53      HN  ASP-  60  HN   3.50  ADB. 295
NOEUPP  GLU-  59  HA  GLU-  59  QG   3.91      HA  ILE   61  HN   5.00  ADB. 296
NOEUPP  GLU-  59  QG  ASP-  60  HN   5.68                               ADB. 297
NOEUPP  ASP-  60  HN  ILE   61  HN   2.90      HA  ALA   63  QB   6.00  ADB. 298
NOEUPP  ILE   61  HN  ILE   61  HB   2.90      HN  ILE   61  QG1  4.60  ADB. 299
NOEUPP  ILE   61  HN  ILE   61  QD1  5.80      HA  VAL   64  HN   4.00  ADB. 300
NOEUPP  ILE   61  HA  VAL   64  HB   3.70      HA  GLU-  65  HN   4.40  ADB. 301
NOEUPP  ILE   61  HB  LEU   62  HN   3.30                               ADB. 302
NOEUPP  LEU   62  HN  LEU   62  HA   2.80      HN  LEU   62  QB   3.54  ADB. 303
NOEUPP  LEU   62  HN  LEU   62  QD1  6.00      HN  LEU   62  QD2  6.00  ADB. 304
NOEUPP  LEU   62  HN  LEU   62  QQD  5.39      HA  LEU   62 2HB   2.90  ADB. 305
NOEUPP  LEU   62  HA  LEU   62 3HB   2.90      HA  LEU   62  QD1  6.00  ADB. 306
NOEUPP  LEU   62  HA  LEU   62  QD2  6.00      HA  GLU-  65  HN   3.70  ADB. 307
NOEUPP  LEU   62  HA  GLU-  65  QB   4.08      HA  ASP-  66  HN   4.30  ADB. 308
NOEUPP  ALA   63  HN  ALA   63  QB   2.70      HN  GLU-  65  HN   4.20  ADB. 309
NOEUPP  ALA   63  HA  ASP-  66  HN   3.50      HA  ASP-  66 2HB   3.20  ADB. 310
NOEUPP  ALA   63  HA  ASP-  66 3HB   3.60      HA  PHE   67  HN   5.00  ADB. 311
NOEUPP  ALA   63  QB  VAL   64  HN   4.30                               ADB. 312
NOEUPP  VAL   64  HN  VAL   64  HB   2.90      HN  GLU-  65  HN   3.20  ADB. 313
NOEUPP  VAL   64  HA  VAL   64  QQG  2.99      HA  PHE   67  HN   3.70  ADB. 314
NOEUPP  VAL   64  HA  PHE   67 2HB   3.30      HA  PHE   67  CG   7.00  ADB. 315
NOEUPP  VAL   64  HA  LEU   68  HN   4.10      HB  GLU-  65  HN   3.10  ADB. 316
NOEUPP  VAL   64  QQG GLU-  65  HN   7.56      QQG GLU-  65  HA   7.56  ADB. 317
NOEUPP  GLU-  65  HN  GLU-  65 2HB   3.60      HN  GLU-  65 3HB   3.60  ADB. 318
NOEUPP  GLU-  65  HN  GLU-  65  QB   3.39      HN  GLU-  65  QG   5.20  ADB. 319
NOEUPP  GLU-  65  HN  ASP-  66  HN   3.30      HA  LEU   68  HN   3.90  ADB. 320
NOEUPP  GLU-  65  HA  LEU   68  QB   4.88      HA  LEU   68  QQD  7.57  ADB. 321
NOEUPP  GLU-  65  HA  TYR   75  CZ   7.00     2HB  ASP-  66  HN   3.80  ADB. 322
NOEUPP  GLU-  65 3HB  ASP-  66  HN   3.80                               ADB. 323
NOEUPP  ASP-  66  HN  ASP-  66 2HB   2.90      HN  ASP-  66 3HB   3.10  ADB. 324
NOEUPP  ASP-  66  HN  PHE   67  HN   3.40      HA  ASP-  66 2HB   2.90  ADB. 325
NOEUPP  ASP-  66  HA  GLU-  69  HN   4.00      HA  GLU-  69 2HB   3.70  ADB. 326
NOEUPP  ASP-  66  HA  GLU-  69 3HB   3.70      HA  GLN   70  HN   4.00  ADB. 327
NOEUPP  ASP-  66  HA  GLN   70  QG   6.00      HA  GLN   70 1HE2  5.00  ADB. 328
NOEUPP  ASP-  66 2HB  PHE   67  HN   3.50     3HB  PHE   67  HN   3.40  ADB. 329
NOEUPP  ASP-  66 3HB  GLN   70 1HE2  5.00                               ADB. 330
NOEUPP  PHE   67  HN  PHE   67 2HB   3.00      HN  PHE   67 3HB   3.00  ADB. 331
NOEUPP  PHE   67  HN  LEU   68  HN   3.20      HA  PHE   67 2HB   2.80  ADB. 332
NOEUPP  PHE   67  HA  ASN   71 1HD2  4.20      HA  ASN   71 2HD2  4.50  ADB. 333
NOEUPP  PHE   67 2HB  LEU   68  HN   3.60     3HB  LEU   68  HN   3.40  ADB. 334
NOEUPP  PHE   67  CG  LEU   68  HN   6.90      CG  LEU   68  HA   6.40  ADB. 335
NOEUPP  PHE   67  CG  LEU   68  HG   6.70      CG  ASN   71 1HD2  7.00  ADB. 336
NOEUPP  PHE   67  CG  ASN   71 2HD2  7.00      CG  LEU   73  QQD  9.57  ADB. 337
NOEUPP  PHE   67  CZ  ASN   71 1HD2  7.00      CZ  ASN   71 2HD2  7.00  ADB. 338
NOEUPP  PHE   67  CZ  LEU   73  QD1  8.00      CZ  LEU   73  QD2  8.00  ADB. 339
NOEUPP  PHE   67  HZ  LEU   73  QD1  6.00      HZ  LEU   73  QD2  6.00  ADB. 340
NOEUPP  PHE   67  HZ  LEU   73  QQD  5.20                               ADB. 341
NOEUPP  LEU   68  HN  LEU   68 2HB   3.60      HN  LEU   68 3HB   3.60  ADB. 342
NOEUPP  LEU   68  HN  LEU   68  QB   3.29      HN  LEU   68  HG   2.70  ADB. 343
NOEUPP  LEU   68  HN  LEU   68  QD1  6.00      HN  LEU   68  QD2  6.00  ADB. 344
NOEUPP  LEU   68  HN  GLU-  69  HN   3.40      HA  LEU   73 2HB   5.00  ADB. 345
NOEUPP  LEU   68  HA  LEU   73 3HB   5.00      HA  LEU   73  QB   4.72  ADB. 346
NOEUPP  LEU   68  HA  LEU   73  QQD  7.57     2HB  TYR   75  CG   6.50  ADB. 347
NOEUPP  LEU   68 2HB  TYR   75  CZ   7.00     3HB  TYR   75  CG   6.50  ADB. 348
NOEUPP  LEU   68 3HB  TYR   75  CZ   7.00      QB  GLU-  69  HN   4.48  ADB. 349
NOEUPP  LEU   68  QB  TYR   75  CG   6.24      QQD TYR   75  CG   9.57  ADB. 350
NOEUPP  LEU   68  QQD TYR   75  CZ   9.57                               ADB. 351
NOEUPP  GLU-  69  HN  GLU-  69 2HB   3.50      HN  GLU-  69 3HB   3.50  ADB. 352
NOEUPP  GLU-  69  HN  GLU-  69  QB   3.14      HN  GLU-  69 2HG   5.00  ADB. 353
NOEUPP  GLU-  69  HN  GLU-  69 3HG   5.00      HN  GLU-  69  QG   4.58  ADB. 354
NOEUPP  GLU-  69  HN  GLN   70  HN   3.40      HA  GLU-  69 2HB   2.90  ADB. 355
NOEUPP  GLU-  69  HA  GLU-  69 3HB   2.90      HA  GLU-  69 2HG   3.80  ADB. 356
NOEUPP  GLU-  69  HA  GLU-  69 3HG   3.80      HA  GLU-  69  QG   3.60  ADB. 357
NOEUPP  GLU-  69  HA  GLU-  72  HN   3.80      HA  GLU-  72  HA   3.80  ADB. 358
NOEUPP  GLU-  69  HA  LEU   73  HN   4.70      HA  TYR   75  CZ   7.00  ADB. 359
NOEUPP  GLU-  69 2HB  GLN   70  HN   3.50     3HB  GLN   70  HN   3.50  ADB. 360
NOEUPP  GLU-  69  QB  TYR   75  CZ   7.88     2HG  TYR   75  CZ   6.70  ADB. 361
NOEUPP  GLU-  69 3HG  TYR   75  CZ   6.70      QG  TYR   75  CZ   6.54  ADB. 362
NOEUPP  GLN   70  HN  GLN   70 2HB   3.60      HN  GLN   70 3HB   3.60  ADB. 363
NOEUPP  GLN   70  HN  GLN   70  QB   3.24      HN  GLN   70  QG   5.00  ADB. 364
NOEUPP  GLN   70  HN  ASN   71  HN   3.10      HN  GLU-  72  HN   4.70  ADB. 365
NOEUPP  GLN   70  HA  GLN   70 2HB   3.00      HA  GLN   70 3HB   3.00  ADB. 366
NOEUPP  GLN   70  HA  ASN   71  HN   3.60      QG  ASN   71  HN   6.00  ADB. 367
NOEUPP  ASN   71  HN  ASN   71 2HB   3.50      HN  ASN   71 3HB   3.50  ADB. 368
NOEUPP  ASN   71  HN  ASN   71  QB   3.19      HN  ASN   71 1HD2  4.00  ADB. 369
NOEUPP  ASN   71  HN  ASN   71 2HD2  4.80      HN  GLU-  72  HN   3.00  ADB. 370
NOEUPP  ASN   71  HA  ASN   71 1HD2  5.00      HA  ASN   71 2HD2  5.00  ADB. 371
NOEUPP  ASN   71  HA  GLU-  72  HN   3.60     2HB  ASN   71 1HD2  4.00  ADB. 372
NOEUPP  ASN   71 2HB  LEU   73  QD1  7.75     2HB  LEU   73  QD2  7.75  ADB. 373
NOEUPP  ASN   71 3HB  ASN   71 1HD2  4.00     3HB  LEU   73  QD1  7.75  ADB. 374
NOEUPP  ASN   71 3HB  LEU   73  QD2  7.75      QB  ASN   71 1HD2  3.61  ADB. 375
NOEUPP  ASN   71  QB  LEU   73  QQD  6.16     2HD2 LEU   73  QD1  6.00  ADB. 376
NOEUPP  ASN   71 2HD2 LEU   73  QD2  6.00                               ADB. 377
NOEUPP  GLU-  72  HN  GLU-  72  HA   2.60      HN  LEU   73  HN   3.40  ADB. 378
NOEUPP  GLU-  72  HA  GLU-  72 2HB   2.90      HA  GLU-  72 3HB   2.90  ADB. 379
NOEUPP  GLU-  72  HA  GLU-  72  QB   2.61      HA  LEU   73  HN   3.10  ADB. 380
NOEUPP  LEU   73  HN  LEU   73 2HB   3.40      HN  LEU   73 3HB   3.40  ADB. 381
NOEUPP  LEU   73  HN  LEU   73  QB   3.08      HN  LEU   73  HG   4.30  ADB. 382
NOEUPP  LEU   73  HN  LEU   73  QQD  7.57      HA  LEU   73  HG   3.50  ADB. 383
NOEUPP  LEU   73  HA  GLN   74  HN   2.70      QB  GLN   74  HN   4.98  ADB. 384
NOEUPP  LEU   73  QQD GLN   74  HN   7.57                               ADB. 385
NOEUPP  GLN   74  HN  GLN   74  QB   3.80      HN  GLN   74 2HG   4.40  ADB. 386
NOEUPP  GLN   74  HN  GLN   74 3HG   4.40      HN  GLN   74  QG   4.21  ADB. 387
NOEUPP  GLN   74  HA  GLN   74 2HG   4.20      HA  GLN   74 3HG   4.20  ADB. 388
NOEUPP  GLN   74  HA  GLN   74  QG   3.63      HA  TYR   75  HN   2.60  ADB. 389
NOEUPP  GLN   74  HA  TYR   75  CG   7.00                               ADB. 390
NOEUPP  TYR   75  HA  GLU-  76  HN   2.90     2HB  GLU-  76  HN   3.90  ADB. 391
NOEUPP  TYR   75 3HB  GLU-  76  HN   3.90      QB  GLU-  76  HN   3.50  ADB. 392
NOEUPP  TYR   75  CG  GLU-  76  HN   7.00      CG  GLU-  76  HA   7.00  ADB. 393
NOEUPP  TYR   75  CG  VAL   77  QQG  9.56      CZ  GLU-  76  HA   7.00  ADB. 394
NOEUPP  TYR   75  CZ  VAL   77  QQG  9.56                               ADB. 395
NOEUPP  GLU-  76  HN  GLU-  76  QG   5.80      HA  VAL   77  HN   2.70  ADB. 396
NOEUPP  GLU-  76  QG  VAL   77  HN   5.50                               ADB. 397
NOEUPP  VAL   77  HN  VAL   77  HB   2.80      HA  LEU   78  HN   2.90  ADB. 398
NOEUPP  LEU   78  HN  LEU   78  HG   3.10      HN  LEU   78  QQD  7.57  ADB. 399
NOEUPP  LEU   78  HN  ILE   79  HN   3.70      HA  LEU   78  QD1  6.00  ADB. 400
NOEUPP  LEU   78  HA  LEU   78  QD2  6.00      QQD ILE   79  HN   7.57  ADB. 401
NOEUPP  ILE   79  HN  ILE   79  HB   3.30      HN  ILE   79 2HG1  4.60  ADB. 402
NOEUPP  ILE   79  HN  ILE   79 3HG1  4.60      HN  ILE   79  QG1  4.37  ADB. 403
NOEUPP  ILE   79  HN  ASN   80  HN   3.90      HA  ASN   80  HN   2.80  ADB. 404
NOEUPP  ILE   79  QG2 ASN   80  HN   6.00                               ADB. 405
NOEUPP  ASN   80  HN  ASN   80 2HB   4.20      HN  ASN   80 3HB   4.20  ADB. 406
NOEUPP  ASN   80  HN  ASN   80  QB   3.86      HN  ASN   81  HN   4.00  ADB. 407
MASTER        0    0    0    0  401    0    0                           ADB. 408
END                                                                     ADB. 409


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 824 H/Q atoms
  Start of MODEL    1
    1   1H    HIS   1           HN2      HIS   1  17.384   2.147 -14.124
    2   2H    HIS   1           HN3      HIS   1  16.900   0.795 -14.948
    3   3H    HIS   1           HN1      HIS   1  18.264   1.607 -15.419
    4    HA   HIS   1           HA       HIS   1  17.116   2.905 -16.774
    5   1HB   HIS   1           2HB      HIS   1  14.486   1.885 -15.749
    6   2HB   HIS   1           3HB      HIS   1  14.954   2.261 -17.386
    7    HD1  HIS   1           HD1      HIS   1  16.744   0.498 -18.394
    8    HD2  HIS   1           HD2      HIS   1  14.516  -0.864 -15.211
    9    HE1  HIS   1           HE1      HIS   1  17.005  -2.001 -18.356
   10    QB   HIS   1           QB       HIS   1  14.720   2.073 -16.567
   11    H    HIS   2           HN       HIS   2  14.781   4.322 -16.580
   12    HA   HIS   2           HA       HIS   2  15.177   5.833 -14.028
   13   1HB   HIS   2           2HB      HIS   2  15.772   7.049 -16.122
   14   2HB   HIS   2           3HB      HIS   2  14.154   6.793 -16.718
   15    HD1  HIS   2           HD1      HIS   2  12.316   8.156 -15.675
   16    HD2  HIS   2           HD2      HIS   2  16.001   9.162 -14.136
   17    HE1  HIS   2           HE1      HIS   2  11.984  10.261 -14.322
   18    QB   HIS   2           QB       HIS   2  14.963   6.921 -16.420
   19    H    SER   3           HN       SER   3  12.994   7.180 -13.690
   20    HA   SER   3           HA       SER   3  10.611   5.497 -14.256
   21   1HB   SER   3           2HB      SER   3  11.511   6.262 -11.445
   22   2HB   SER   3           3HB      SER   3   9.961   5.503 -11.845
   23    HG   SER   3           HG       SER   3  11.949   4.216 -13.128
   24    QB   SER   3           QB       SER   3  10.736   5.882 -11.645
   25    H    GLY   4           HN       GLY   4   9.937   7.219 -15.551
   26   1HA   GLY   4           1HA      GLY   4   8.126   8.965 -15.327
   27   2HA   GLY   4           2HA      GLY   4   9.087   9.672 -14.021
   28    QA   GLY   4           QA       GLY   4   8.606   9.319 -14.674
   29    H    GLU   5           HN       GLU   5   9.879   8.383 -17.173
   30    HA   GLU   5           HA       GLU   5  11.278  10.927 -17.868
   31   1HB   GLU   5           2HB      GLU   5  12.876   9.539 -19.155
   32   2HB   GLU   5           3HB      GLU   5  12.881   9.097 -17.463
   33   1HG   GLU   5           2HG      GLU   5  11.490   7.586 -19.713
   34   2HG   GLU   5           3HG      GLU   5  12.925   7.071 -18.845
   35    QB   GLU   5           QB       GLU   5  12.878   9.318 -18.309
   36    QG   GLU   5           QG       GLU   5  12.207   7.328 -19.279
   37    H    HIS   6           HN       HIS   6   8.733  10.857 -18.392
   38    HA   HIS   6           HA       HIS   6   7.501  11.651 -20.304
   39   1HB   HIS   6           2HB      HIS   6   9.605  11.179 -21.739
   40   2HB   HIS   6           3HB      HIS   6   8.915   9.601 -22.009
   41    HD1  HIS   6           HD1      HIS   6   6.358   9.796 -22.910
   42    HD2  HIS   6           HD2      HIS   6   8.788  13.017 -23.699
   43    HE1  HIS   6           HE1      HIS   6   5.295  11.044 -24.833
   44    QB   HIS   6           QB       HIS   6   9.260  10.390 -21.874
   45    H    PHE   7           HN       PHE   7   7.262   9.514 -18.338
   46    HA   PHE   7           HA       PHE   7   5.194   7.838 -19.699
   47   1HB   PHE   7           2HB      PHE   7   7.449   7.088 -17.970
   48   2HB   PHE   7           3HB      PHE   7   5.917   6.518 -17.324
   49    HD1  PHE   7           HD1      PHE   7   4.441   5.060 -18.769
   50    HD2  PHE   7           HD2      PHE   7   8.407   6.093 -19.929
   51    HE1  PHE   7           HE1      PHE   7   4.430   3.232 -20.392
   52    HE2  PHE   7           HE2      PHE   7   8.396   4.257 -21.564
   53    HZ   PHE   7           HZ       PHE   7   6.415   2.807 -21.784
   54    QB   PHE   7           QB       PHE   7   6.683   6.803 -17.647
   55    QR   PHE   7           QR       PHE   7   6.419   4.660 -20.163
   56    H    GLU   8           HN       GLU   8   3.423   7.218 -18.179
   57    HA   GLU   8           HA       GLU   8   2.850   9.491 -16.315
   58   1HB   GLU   8           2HB      GLU   8   1.266   8.731 -18.294
   59   2HB   GLU   8           3HB      GLU   8   0.848   7.398 -17.233
   60   1HG   GLU   8           2HG      GLU   8   0.632   9.605 -15.539
   61   2HG   GLU   8           3HG      GLU   8   0.074  10.242 -17.074
   62    QB   GLU   8           QB       GLU   8   1.057   8.064 -17.763
   63    QG   GLU   8           QG       GLU   8   0.353   9.923 -16.306
   64    H    GLY   9           HN       GLY   9   0.776   7.744 -15.086
   65   1HA   GLY   9           1HA      GLY   9   2.595   6.195 -13.273
   66   2HA   GLY   9           2HA      GLY   9   0.988   6.785 -12.832
   67    QA   GLY   9           QA       GLY   9   1.792   6.490 -13.053
   68    H    GLU  10           HN       GLU  10  -0.206   6.179 -15.219
   69    HA   GLU  10           HA       GLU  10  -1.790   4.494 -15.727
   70   1HB   GLU  10           2HB      GLU  10  -0.723   3.258 -17.619
   71   2HB   GLU  10           3HB      GLU  10  -0.428   4.990 -17.632
   72   1HG   GLU  10           2HG      GLU  10   1.774   4.358 -16.318
   73   2HG   GLU  10           3HG      GLU  10   1.488   2.756 -16.977
   74    QB   GLU  10           QB       GLU  10  -0.576   4.124 -17.626
   75    QG   GLU  10           QG       GLU  10   1.631   3.557 -16.647
   76    H    LYS  11           HN       LYS  11  -1.508   3.568 -13.237
   77    HA   LYS  11           HA       LYS  11  -1.375   0.660 -13.645
   78   1HB   LYS  11           2HB      LYS  11   0.707   2.113 -12.070
   79   2HB   LYS  11           3HB      LYS  11   0.167   0.554 -11.480
   80   1HG   LYS  11           2HG      LYS  11   0.771  -0.522 -13.583
   81   2HG   LYS  11           3HG      LYS  11   1.104   1.025 -14.333
   82   1HD   LYS  11           2HD      LYS  11   2.613   0.190 -11.864
   83   2HD   LYS  11           3HD      LYS  11   3.121  -0.355 -13.462
   84   1HE   LYS  11           2HE      LYS  11   3.098   2.075 -14.206
   85   2HE   LYS  11           3HE      LYS  11   2.811   2.523 -12.533
   86   1HZ   LYS  11           1HZ      LYS  11   4.975   0.779 -12.529
   87   2HZ   LYS  11           2HZ      LYS  11   5.249   1.887 -13.778
   88   3HZ   LYS  11           3HZ      LYS  11   4.988   2.431 -12.190
   89    QB   LYS  11           QB       LYS  11   0.437   1.333 -11.775
   90    QG   LYS  11           QG       LYS  11   0.938   0.251 -13.958
   91    QD   LYS  11           QD       LYS  11   2.867  -0.083 -12.663
   92    QE   LYS  11           QE       LYS  11   2.955   2.299 -13.369
   93    QZ   LYS  11           QZ       LYS  11   5.071   1.699 -12.832
   94    H    VAL  12           HN       VAL  12  -2.153  -0.501 -11.777
   95    HA   VAL  12           HA       VAL  12  -3.843   1.130 -10.023
   96    HB   VAL  12           HB       VAL  12  -5.162  -1.097 -10.181
   97   1HG1  VAL  12           2HG      VAL  12  -5.911   1.038 -11.212
   98   2HG1  VAL  12           3HG      VAL  12  -4.905   0.697 -12.618
   99   3HG1  VAL  12           1HG      VAL  12  -6.295  -0.323 -12.258
  100   1HG2  VAL  12           3HG      VAL  12  -3.391  -2.421 -11.271
  101   2HG2  VAL  12           1HG      VAL  12  -4.873  -2.395 -12.218
  102   3HG2  VAL  12           2HG      VAL  12  -3.516  -1.379 -12.691
  103    QG1  VAL  12           QG1      VAL  12  -5.704   0.471 -12.029
  104    QG2  VAL  12           QG2      VAL  12  -3.927  -2.065 -12.060
  105    QQG  VAL  12           QQG      VAL  12  -4.815  -0.797 -12.045
  106    H    PHE  13           HN       PHE  13  -1.619   0.978  -8.840
  107    HA   PHE  13           HA       PHE  13  -0.573  -1.333  -7.668
  108   1HB   PHE  13           2HB      PHE  13  -0.881   1.246  -6.105
  109   2HB   PHE  13           3HB      PHE  13   0.404   0.050  -5.979
  110    HD1  PHE  13           HD1      PHE  13  -0.967   2.800  -8.002
  111    HD2  PHE  13           HD2      PHE  13   2.182  -0.051  -7.658
  112    HE1  PHE  13           HE1      PHE  13   0.258   3.921  -9.805
  113    HE2  PHE  13           HE2      PHE  13   3.411   1.091  -9.446
  114    HZ   PHE  13           HZ       PHE  13   2.447   3.081 -10.511
  115    QB   PHE  13           QB       PHE  13  -0.238   0.648  -6.042
  116    QR   PHE  13           QR       PHE  13   1.221   1.940  -8.728
  117    NH1  ARG  14           NH1      ARG  14  -4.980  -6.372  -8.930
  118    NH2  ARG  14           NH2      ARG  14  -6.463  -7.847  -8.021
  119    H    ARG  14           HN       ARG  14  -2.314  -2.759  -7.245
  120    HA   ARG  14           HA       ARG  14  -4.173  -2.144  -5.053
  121   1HB   ARG  14           2HB      ARG  14  -4.715  -3.614  -7.072
  122   2HB   ARG  14           3HB      ARG  14  -3.611  -4.811  -6.418
  123   1HG   ARG  14           2HG      ARG  14  -5.032  -4.702  -4.261
  124   2HG   ARG  14           3HG      ARG  14  -6.216  -3.830  -5.219
  125   1HD   ARG  14           2HD      ARG  14  -5.176  -6.649  -5.697
  126   2HD   ARG  14           3HD      ARG  14  -6.811  -6.187  -5.233
  127    HE   ARG  14           HE       ARG  14  -6.832  -4.968  -7.554
  128   1HH1  ARG  14           2HH      ARG  14  -4.567  -5.462  -8.923
  129   2HH1  ARG  14           1HH      ARG  14  -4.636  -7.077  -9.564
  130   1HH2  ARG  14           2HH      ARG  14  -7.178  -8.036  -7.351
  131   2HH2  ARG  14           1HH      ARG  14  -6.115  -8.591  -8.611
  132    QB   ARG  14           QB       ARG  14  -4.163  -4.212  -6.745
  133    QG   ARG  14           QG       ARG  14  -5.624  -4.266  -4.740
  134    QD   ARG  14           QD       ARG  14  -5.994  -6.418  -5.465
  135    QH1  ARG  14           QH1      ARG  14  -4.602  -6.270  -9.243
  136    QH2  ARG  14           QH2      ARG  14  -6.647  -8.313  -7.981
  137    H    VAL  15           HN       VAL  15  -4.150  -3.541  -3.046
  138    HA   VAL  15           HA       VAL  15  -1.385  -4.514  -2.415
  139    HB   VAL  15           HB       VAL  15  -3.246  -3.047  -0.503
  140   1HG1  VAL  15           2HG      VAL  15  -0.368  -4.001  -0.207
  141   2HG1  VAL  15           3HG      VAL  15  -1.230  -3.015   0.970
  142   3HG1  VAL  15           1HG      VAL  15  -1.763  -4.658   0.644
  143   1HG2  VAL  15           2HG      VAL  15  -0.716  -2.134  -1.916
  144   2HG2  VAL  15           3HG      VAL  15  -2.340  -1.518  -2.203
  145   3HG2  VAL  15           1HG      VAL  15  -1.549  -1.229  -0.657
  146    QG1  VAL  15           QG1      VAL  15  -1.120  -3.891   0.469
  147    QG2  VAL  15           QG2      VAL  15  -1.535  -1.627  -1.592
  148    QQG  VAL  15           QQG      VAL  15  -1.328  -2.759  -0.562
  149    H    ASN  16           HN       ASN  16  -1.199  -6.282  -1.123
  150    HA   ASN  16           HA       ASN  16  -3.711  -7.711  -0.337
  151   1HB   ASN  16           2HB      ASN  16  -2.763  -8.561  -2.516
  152   2HB   ASN  16           3HB      ASN  16  -1.270  -8.947  -1.676
  153   1HD2  ASN  16           2HD      ASN  16  -2.732 -11.682   0.132
  154   2HD2  ASN  16           1HD      ASN  16  -1.578 -10.445   0.294
  155    QB   ASN  16           QB       ASN  16  -2.017  -8.754  -2.096
  156    QD2  ASN  16           QD2      ASN  16  -2.155 -11.063   0.213
  157    H    VAL  17           HN       VAL  17  -3.253  -7.133   1.883
  158    HA   VAL  17           HA       VAL  17  -0.600  -7.618   3.019
  159    HB   VAL  17           HB       VAL  17  -2.172  -5.838   3.798
  160   1HG1  VAL  17           3HG      VAL  17  -4.264  -7.090   3.560
  161   2HG1  VAL  17           1HG      VAL  17  -3.795  -8.136   4.900
  162   3HG1  VAL  17           2HG      VAL  17  -4.087  -6.425   5.180
  163   1HG2  VAL  17           1HG      VAL  17  -1.368  -7.919   5.843
  164   2HG2  VAL  17           2HG      VAL  17  -0.466  -6.486   5.346
  165   3HG2  VAL  17           3HG      VAL  17  -1.966  -6.319   6.236
  166    QG1  VAL  17           QG1      VAL  17  -4.049  -7.217   4.547
  167    QG2  VAL  17           QG2      VAL  17  -1.267  -6.908   5.808
  168    QQG  VAL  17           QQG      VAL  17  -2.658  -7.063   5.178
  169    H    GLU  18           HN       GLU  18   0.068  -9.350   4.179
  170    HA   GLU  18           HA       GLU  18  -1.699 -11.747   4.066
  171   1HB   GLU  18           2HB      GLU  18   1.193 -11.321   3.943
  172   2HB   GLU  18           3HB      GLU  18   0.781 -12.508   5.176
  173   1HG   GLU  18           2HG      GLU  18  -0.546 -13.779   3.539
  174   2HG   GLU  18           3HG      GLU  18  -0.198 -12.575   2.304
  175    QB   GLU  18           QB       GLU  18   0.987 -11.915   4.560
  176    QG   GLU  18           QG       GLU  18  -0.372 -13.177   2.921
  177    H    ASP  19           HN       ASP  19   0.418 -10.080   6.369
  178    HA   ASP  19           HA       ASP  19  -1.583 -10.601   8.454
  179   1HB   ASP  19           2HB      ASP  19  -0.393 -12.021   9.802
  180   2HB   ASP  19           3HB      ASP  19   0.283 -12.510   8.276
  181    QB   ASP  19           QB       ASP  19  -0.055 -12.265   9.039
  182    H    GLU  20           HN       GLU  20   0.286  -9.963  10.553
  183    HA   GLU  20           HA       GLU  20  -0.045  -7.119  10.457
  184   1HB   GLU  20           2HB      GLU  20   1.515  -8.935  12.318
  185   2HB   GLU  20           3HB      GLU  20   1.165  -7.251  12.619
  186   1HG   GLU  20           2HG      GLU  20  -0.950  -9.391  12.212
  187   2HG   GLU  20           3HG      GLU  20  -0.465  -8.754  13.772
  188    QB   GLU  20           QB       GLU  20   1.340  -8.093  12.469
  189    QG   GLU  20           QG       GLU  20  -0.708  -9.073  12.992
  190    H    ASN  21           HN       ASN  21   2.695  -9.270   9.798
  191    HA   ASN  21           HA       ASN  21   4.823  -7.413   9.819
  192   1HB   ASN  21           2HB      ASN  21   5.272  -9.746   9.281
  193   2HB   ASN  21           3HB      ASN  21   4.249  -9.675   7.858
  194   1HD2  ASN  21           2HD      ASN  21   6.818  -7.710   6.030
  195   2HD2  ASN  21           1HD      ASN  21   5.142  -7.623   6.287
  196    QB   ASN  21           QB       ASN  21   4.761  -9.711   8.569
  197    QD2  ASN  21           QD2      ASN  21   5.980  -7.667   6.158
  198    H    ASP  22           HN       ASP  22   2.992  -8.273   6.927
  199    HA   ASP  22           HA       ASP  22   3.900  -6.280   5.155
  200   1HB   ASP  22           2HB      ASP  22   2.475  -8.265   4.646
  201   2HB   ASP  22           3HB      ASP  22   1.127  -7.512   5.464
  202    QB   ASP  22           QB       ASP  22   1.801  -7.889   5.055
  203    H    ILE  23           HN       ILE  23   1.112  -6.080   7.364
  204    HA   ILE  23           HA       ILE  23   0.247  -3.464   6.746
  205    HB   ILE  23           HB       ILE  23   0.401  -4.777   9.497
  206   1HG1  ILE  23           2HG      ILE  23  -1.779  -4.737   7.398
  207   2HG1  ILE  23           3HG      ILE  23  -0.761  -6.110   7.796
  208   1HG2  ILE  23           1HG      ILE  23   0.001  -2.313   9.586
  209   2HG2  ILE  23           2HG      ILE  23  -1.365  -2.510   8.493
  210   3HG2  ILE  23           3HG      ILE  23  -1.414  -3.216  10.102
  211   1HD1  ILE  23           2HD      ILE  23  -1.639  -6.059  10.122
  212   2HD1  ILE  23           3HD      ILE  23  -2.715  -4.758   9.650
  213   3HD1  ILE  23           1HD      ILE  23  -2.883  -6.347   8.921
  214    QG1  ILE  23           QG1      ILE  23  -1.270  -5.424   7.597
  215    QG2  ILE  23           QG2      ILE  23  -0.926  -2.680   9.394
  216    QD1  ILE  23           QD1      ILE  23  -2.412  -5.721   9.564
  217    H    SER  24           HN       SER  24   2.382  -4.443   9.339
  218    HA   SER  24           HA       SER  24   3.144  -2.045  10.426
  219   1HB   SER  24           2HB      SER  24   4.867  -4.492   9.900
  220   2HB   SER  24           3HB      SER  24   5.252  -3.210  11.068
  221    HG   SER  24           HG       SER  24   3.232  -5.140  11.124
  222    QB   SER  24           QB       SER  24   5.059  -3.851  10.484
  223    H    GLU  25           HN       GLU  25   4.015  -3.060   7.218
  224    HA   GLU  25           HA       GLU  25   6.182  -1.008   7.134
  225   1HB   GLU  25           2HB      GLU  25   5.994  -3.496   5.989
  226   2HB   GLU  25           3HB      GLU  25   5.426  -2.514   4.656
  227   1HG   GLU  25           2HG      GLU  25   7.609  -1.049   5.419
  228   2HG   GLU  25           3HG      GLU  25   8.135  -2.650   5.923
  229    QB   GLU  25           QB       GLU  25   5.710  -3.005   5.323
  230    QG   GLU  25           QG       GLU  25   7.872  -1.850   5.671
  231    H    LEU  26           HN       LEU  26   3.374  -1.866   5.076
  232    HA   LEU  26           HA       LEU  26   3.148   0.466   3.630
  233   1HB   LEU  26           2HB      LEU  26   1.879  -1.786   3.505
  234   2HB   LEU  26           3HB      LEU  26   0.793  -1.100   4.711
  235    HG   LEU  26           HG       LEU  26   0.883   0.954   3.105
  236   1HD1  LEU  26           2HD      LEU  26   1.451  -1.355   1.226
  237   2HD1  LEU  26           3HD      LEU  26   0.990   0.266   0.718
  238   3HD1  LEU  26           1HD      LEU  26   2.516   0.014   1.546
  239   1HD2  LEU  26           1HD      LEU  26  -0.765  -1.536   2.552
  240   2HD2  LEU  26           2HD      LEU  26  -1.182  -0.244   3.677
  241   3HD2  LEU  26           3HD      LEU  26  -1.163   0.067   1.944
  242    QB   LEU  26           QB       LEU  26   1.336  -1.443   4.108
  243    QD1  LEU  26           QD1      LEU  26   1.652  -0.358   1.163
  244    QD2  LEU  26           QD2      LEU  26  -1.037  -0.571   2.724
  245    QQD  LEU  26           QQD      LEU  26   0.308  -0.465   1.944
  246    H    HIS  27           HN       HIS  27   1.904  -0.276   6.799
  247    HA   HIS  27           HA       HIS  27   0.235   1.878   7.366
  248   1HB   HIS  27           2HB      HIS  27   1.271  -0.221   8.751
  249   2HB   HIS  27           3HB      HIS  27   2.153   1.076   9.492
  250    HD1  HIS  27           HD1      HIS  27   0.839   2.646  10.944
  251    HD2  HIS  27           HD2      HIS  27  -1.555  -0.291   9.351
  252    HE1  HIS  27           HE1      HIS  27  -1.373   2.782  12.154
  253    QB   HIS  27           QB       HIS  27   1.712   0.427   9.122
  254    H    GLU  28           HN       GLU  28   3.766   1.737   7.595
  255    HA   GLU  28           HA       GLU  28   4.286   4.227   8.812
  256   1HB   GLU  28           2HB      GLU  28   6.020   2.550   8.343
  257   2HB   GLU  28           3HB      GLU  28   5.851   2.810   6.615
  258   1HG   GLU  28           2HG      GLU  28   7.774   4.089   7.428
  259   2HG   GLU  28           3HG      GLU  28   6.508   5.229   6.993
  260    QB   GLU  28           QB       GLU  28   5.936   2.680   7.479
  261    QG   GLU  28           QG       GLU  28   7.141   4.659   7.211
  262    H    LEU  29           HN       LEU  29   4.364   3.604   5.334
  263    HA   LEU  29           HA       LEU  29   4.656   6.056   4.178
  264   1HB   LEU  29           2HB      LEU  29   4.241   4.012   2.889
  265   2HB   LEU  29           3HB      LEU  29   2.592   3.927   3.476
  266    HG   LEU  29           HG       LEU  29   1.854   5.668   2.092
  267   1HD1  LEU  29           2HD      LEU  29   4.754   6.528   1.762
  268   2HD1  LEU  29           3HD      LEU  29   3.392   7.247   0.928
  269   3HD1  LEU  29           1HD      LEU  29   3.525   7.399   2.663
  270   1HD2  LEU  29           3HD      LEU  29   4.158   4.365   0.587
  271   2HD2  LEU  29           1HD      LEU  29   2.530   3.713   0.740
  272   3HD2  LEU  29           2HD      LEU  29   2.799   5.197  -0.164
  273    QB   LEU  29           QB       LEU  29   3.417   3.969   3.182
  274    QD1  LEU  29           QD1      LEU  29   3.890   7.058   1.784
  275    QD2  LEU  29           QD2      LEU  29   3.162   4.425   0.388
  276    QQD  LEU  29           QQD      LEU  29   3.526   5.741   1.086
  277    H    ALA  30           HN       ALA  30   1.584   4.919   5.586
  278    HA   ALA  30           HA       ALA  30  -0.198   6.916   4.978
  279   1HB   ALA  30           1HB      ALA  30  -0.672   5.100   6.596
  280   2HB   ALA  30           2HB      ALA  30   0.335   5.905   7.794
  281   3HB   ALA  30           3HB      ALA  30  -1.157   6.665   7.244
  282    QB   ALA  30           QB       ALA  30  -0.498   5.890   7.211
  283    H    SER  31           HN       SER  31   2.164   7.182   7.621
  284    HA   SER  31           HA       SER  31   1.802   9.714   8.620
  285   1HB   SER  31           2HB      SER  31   4.570   8.730   7.805
  286   2HB   SER  31           3HB      SER  31   4.127   9.681   9.236
  287    HG   SER  31           HG       SER  31   4.027   6.991   8.848
  288    QB   SER  31           QB       SER  31   4.348   9.205   8.520
  289    H    THR  32           HN       THR  32   3.547   8.926   5.697
  290    HA   THR  32           HA       THR  32   3.227  11.740   4.721
  291    HB   THR  32           HB       THR  32   5.659   9.896   4.410
  292    HG1  THR  32          1HG       THR  32   4.753  11.678   6.247
  293   1HG2  THR  32           2HG      THR  32   5.264  12.824   3.646
  294   2HG2  THR  32           3HG      THR  32   6.742  11.887   3.456
  295   3HG2  THR  32           1HG      THR  32   5.332  11.506   2.481
  296    QG2  THR  32           QG2      THR  32   5.779  12.072   3.194
  297    NH1  ARG  33           NH1      ARG  33  -1.557  11.030  -0.773
  298    NH2  ARG  33           NH2      ARG  33  -3.656  10.824   0.038
  299    H    ARG  33           HN       ARG  33   1.357   9.878   4.266
  300    HA   ARG  33           HA       ARG  33   1.568   8.140   2.106
  301   1HB   ARG  33           2HB      ARG  33  -0.880   8.727   1.644
  302   2HB   ARG  33           3HB      ARG  33  -0.473   8.080   3.223
  303   1HG   ARG  33           2HG      ARG  33  -0.994   9.993   4.274
  304   2HG   ARG  33           3HG      ARG  33  -0.194  10.997   3.082
  305   1HD   ARG  33           2HD      ARG  33  -2.762   9.658   2.283
  306   2HD   ARG  33           3HD      ARG  33  -2.833  11.091   3.313
  307    HE   ARG  33           HE       ARG  33  -1.480  12.262   1.497
  308   1HH1  ARG  33           2HH      ARG  33  -0.590  11.216  -0.598
  309   2HH1  ARG  33           1HH      ARG  33  -1.866  10.793  -1.704
  310   1HH2  ARG  33           2HH      ARG  33  -4.290  10.896   0.802
  311   2HH2  ARG  33           1HH      ARG  33  -3.985  10.548  -0.872
  312    QB   ARG  33           QB       ARG  33  -0.677   8.403   2.434
  313    QG   ARG  33           QG       ARG  33  -0.594  10.495   3.678
  314    QD   ARG  33           QD       ARG  33  -2.797  10.375   2.798
  315    QH1  ARG  33           QH1      ARG  33  -1.228  11.005  -1.151
  316    QH2  ARG  33           QH2      ARG  33  -4.137  10.722  -0.035
  317    H    GLN  34           HN       GLN  34   2.766   8.786   0.363
  318    HA   GLN  34           HA       GLN  34   2.094  11.202  -1.122
  319   1HB   GLN  34           2HB      GLN  34   3.497   8.712  -2.182
  320   2HB   GLN  34           3HB      GLN  34   3.509  10.312  -2.908
  321   1HG   GLN  34           2HG      GLN  34   4.648  11.173  -0.815
  322   2HG   GLN  34           3HG      GLN  34   4.777   9.507  -0.265
  323   1HE2  GLN  34           2HE      GLN  34   6.701   9.624  -3.796
  324   2HE2  GLN  34           1HE      GLN  34   5.010   9.651  -3.695
  325    QB   GLN  34           QB       GLN  34   3.503   9.512  -2.545
  326    QG   GLN  34           QG       GLN  34   4.713  10.340  -0.540
  327    QE2  GLN  34           QE2      GLN  34   5.855   9.637  -3.746
  328    H    ILE  35           HN       ILE  35   0.887   8.100  -0.727
  329    HA   ILE  35           HA       ILE  35  -0.761   8.054  -3.203
  330    HB   ILE  35           HB       ILE  35  -1.178   5.667  -2.489
  331   1HG1  ILE  35           2HG      ILE  35   0.939   6.182  -0.368
  332   2HG1  ILE  35           3HG      ILE  35  -0.774   6.304   0.000
  333   1HG2  ILE  35           3HG      ILE  35   1.762   6.447  -2.602
  334   2HG2  ILE  35           1HG      ILE  35   1.103   4.846  -2.921
  335   3HG2  ILE  35           2HG      ILE  35   0.719   6.181  -3.997
  336   1HD1  ILE  35           3HD      ILE  35  -1.102   3.966  -0.745
  337   2HD1  ILE  35           1HD      ILE  35   0.621   3.841  -1.095
  338   3HD1  ILE  35           2HD      ILE  35   0.073   4.070   0.561
  339    QG1  ILE  35           QG1      ILE  35   0.082   6.243  -0.184
  340    QG2  ILE  35           QG2      ILE  35   1.195   5.825  -3.173
  341    QD1  ILE  35           QD1      ILE  35  -0.136   3.959  -0.426
  342    H    ASP  36           HN       ASP  36  -2.951   7.131  -2.893
  343    HA   ASP  36           HA       ASP  36  -4.226   7.774  -0.282
  344   1HB   ASP  36           2HB      ASP  36  -6.081   8.284  -2.436
  345   2HB   ASP  36           3HB      ASP  36  -5.601   9.377  -1.165
  346    QB   ASP  36           QB       ASP  36  -5.841   8.830  -1.801
  347    H    PHE  37           HN       PHE  37  -6.072   6.355   0.054
  348    HA   PHE  37           HA       PHE  37  -5.771   3.871  -1.535
  349   1HB   PHE  37           2HB      PHE  37  -7.172   4.420   1.104
  350   2HB   PHE  37           3HB      PHE  37  -7.133   2.849   0.319
  351    HD1  PHE  37           HD1      PHE  37  -4.823   5.560   1.524
  352    HD2  PHE  37           HD2      PHE  37  -5.311   1.397   0.745
  353    HE1  PHE  37           HE1      PHE  37  -2.679   5.102   2.625
  354    HE2  PHE  37           HE2      PHE  37  -3.185   0.942   1.869
  355    HZ   PHE  37           HZ       PHE  37  -1.852   2.788   2.796
  356    QB   PHE  37           QB       PHE  37  -7.152   3.635   0.712
  357    QR   PHE  37           QR       PHE  37  -3.999   3.250   1.691
  358    CH2  TRP  38           CH2      TRP  38 -10.583   2.563  -9.420
  359    H    TRP  38           HN       TRP  38  -7.682   2.640  -2.087
  360    HA   TRP  38           HA       TRP  38  -9.918   4.438  -2.966
  361   1HB   TRP  38           2HB      TRP  38  -8.342   3.367  -4.639
  362   2HB   TRP  38           3HB      TRP  38  -8.988   1.838  -4.203
  363    HD1  TRP  38           HD1      TRP  38 -12.051   3.650  -4.195
  364    HE1  TRP  38           HE1      TRP  38 -13.202   3.648  -6.415
  365    HE3  TRP  38           HE3      TRP  38  -8.166   2.309  -7.043
  366    HZ2  TRP  38           HZ2      TRP  38 -12.613   3.153  -9.086
  367    HZ3  TRP  38           HZ3      TRP  38  -8.518   2.018  -9.475
  368    HH2  TRP  38           HH2      TRP  38 -10.714   2.440 -10.486
  369    QB   TRP  38           QB       TRP  38  -8.665   2.603  -4.421
  370    H    LYS  39           HN       LYS  39  -9.902   0.904  -3.047
  371    HA   LYS  39           HA       LYS  39 -12.122   0.947  -1.020
  372   1HB   LYS  39           2HB      LYS  39 -11.883  -1.416  -2.823
  373   2HB   LYS  39           3HB      LYS  39 -13.318  -0.629  -2.204
  374   1HG   LYS  39           2HG      LYS  39 -13.494  -0.095  -4.451
  375   2HG   LYS  39           3HG      LYS  39 -12.607   1.309  -3.875
  376   1HD   LYS  39           2HD      LYS  39 -10.577   0.570  -4.789
  377   2HD   LYS  39           3HD      LYS  39 -11.057  -1.120  -4.781
  378   1HE   LYS  39           2HE      LYS  39 -12.468  -0.836  -6.678
  379   2HE   LYS  39           3HE      LYS  39 -12.436   0.916  -6.545
  380   1HZ   LYS  39           2HZ      LYS  39  -9.775  -0.021  -6.816
  381   2HZ   LYS  39           3HZ      LYS  39 -10.716  -0.715  -8.038
  382   3HZ   LYS  39           1HZ      LYS  39 -10.669   0.974  -7.860
  383    QB   LYS  39           QB       LYS  39 -12.600  -1.022  -2.513
  384    QG   LYS  39           QG       LYS  39 -13.050   0.607  -4.163
  385    QD   LYS  39           QD       LYS  39 -10.817  -0.275  -4.785
  386    QE   LYS  39           QE       LYS  39 -12.452   0.040  -6.611
  387    QZ   LYS  39           QZ       LYS  39 -10.387   0.079  -7.571
  388    HA   PRO  40           HA       PRO  40 -11.642   0.859   1.102
  389   1HB   PRO  40           2HB      PRO  40 -12.380  -0.952   3.137
  390   2HB   PRO  40           3HB      PRO  40 -13.485  -0.233   1.962
  391   1HG   PRO  40           2HG      PRO  40 -12.836  -3.003   2.112
  392   2HG   PRO  40           3HG      PRO  40 -13.626  -2.215   0.739
  393   1HD   PRO  40           2HD      PRO  40 -10.708  -2.874   1.125
  394   2HD   PRO  40           3HD      PRO  40 -11.634  -2.946  -0.379
  395    QB   PRO  40           QB       PRO  40 -12.932  -0.593   2.549
  396    QG   PRO  40           QG       PRO  40 -13.231  -2.609   1.425
  397    QD   PRO  40           QD       PRO  40 -11.171  -2.910   0.373
  398    H    ASP  41           HN       ASP  41 -10.322   1.719   2.652
  399    HA   ASP  41           HA       ASP  41  -8.148  -0.062   3.663
  400   1HB   ASP  41           2HB      ASP  41  -7.137   1.262   1.998
  401   2HB   ASP  41           3HB      ASP  41  -8.004   2.709   2.483
  402    QB   ASP  41           QB       ASP  41  -7.571   1.986   2.240
  403    H    SER  42           HN       SER  42  -8.156   3.253   4.462
  404    HA   SER  42           HA       SER  42  -8.449   4.390   6.469
  405   1HB   SER  42           2HB      SER  42 -10.754   3.216   6.484
  406   2HB   SER  42           3HB      SER  42 -10.004   1.984   7.525
  407    HG   SER  42           HG       SER  42  -9.566   3.473   9.027
  408    QB   SER  42           QB       SER  42 -10.379   2.600   7.004
  409    H    VAL  43           HN       VAL  43  -6.361   2.833   5.762
  410    HA   VAL  43           HA       VAL  43  -4.835   1.129   6.643
  411    HB   VAL  43           HB       VAL  43  -3.904   3.184   5.836
  412   1HG1  VAL  43           1HG      VAL  43  -5.256   4.736   7.250
  413   2HG1  VAL  43           2HG      VAL  43  -4.265   4.307   8.640
  414   3HG1  VAL  43           3HG      VAL  43  -3.544   5.135   7.271
  415   1HG2  VAL  43           3HG      VAL  43  -2.367   1.589   6.941
  416   2HG2  VAL  43           1HG      VAL  43  -1.820   3.245   7.167
  417   3HG2  VAL  43           2HG      VAL  43  -2.620   2.397   8.483
  418    QG1  VAL  43           QG1      VAL  43  -4.355   4.726   7.720
  419    QG2  VAL  43           QG2      VAL  43  -2.269   2.410   7.530
  420    QQG  VAL  43           QQG      VAL  43  -3.312   3.568   7.625
  421    H    THR  44           HN       THR  44  -5.701   3.386   9.270
  422    HA   THR  44           HA       THR  44  -4.350   2.149  11.358
  423    HB   THR  44           HB       THR  44  -6.362   2.957  12.809
  424    HG1  THR  44          1HG       THR  44  -7.344   2.961  10.307
  425   1HG2  THR  44           2HG      THR  44  -4.367   4.431  12.257
  426   2HG2  THR  44           3HG      THR  44  -5.195   4.930  10.786
  427   3HG2  THR  44           1HG      THR  44  -5.873   5.334  12.360
  428    QG2  THR  44           QG2      THR  44  -5.145   4.898  11.801
  429    H    GLN  45           HN       GLN  45  -7.307   0.996   9.805
  430    HA   GLN  45           HA       GLN  45  -7.425  -1.207  11.812
  431   1HB   GLN  45           2HB      GLN  45  -9.440   0.342  11.142
  432   2HB   GLN  45           3HB      GLN  45  -9.527  -0.683   9.715
  433   1HG   GLN  45           2HG      GLN  45  -9.487  -2.675  11.382
  434   2HG   GLN  45           3HG      GLN  45  -9.826  -1.477  12.619
  435   1HE2  GLN  45           2HE      GLN  45 -12.744  -1.761   9.747
  436   2HE2  GLN  45           1HE      GLN  45 -11.116  -1.629   9.262
  437    QB   GLN  45           QB       GLN  45  -9.484  -0.170  10.428
  438    QG   GLN  45           QG       GLN  45  -9.657  -2.076  12.000
  439    QE2  GLN  45           QE2      GLN  45 -11.930  -1.695   9.504
  440    H    ILE  46           HN       ILE  46  -5.713  -1.002   9.114
  441    HA   ILE  46           HA       ILE  46  -6.810  -3.160   7.519
  442    HB   ILE  46           HB       ILE  46  -4.029  -2.018   7.698
  443   1HG1  ILE  46           2HG      ILE  46  -5.933  -0.632   6.817
  444   2HG1  ILE  46           3HG      ILE  46  -4.501  -0.781   5.800
  445   1HG2  ILE  46           1HG      ILE  46  -5.047  -4.093   5.763
  446   2HG2  ILE  46           2HG      ILE  46  -3.511  -3.245   5.610
  447   3HG2  ILE  46           3HG      ILE  46  -3.788  -4.331   6.963
  448   1HD1  ILE  46           3HD      ILE  46  -6.969  -2.495   5.586
  449   2HD1  ILE  46           1HD      ILE  46  -6.577  -1.127   4.548
  450   3HD1  ILE  46           2HD      ILE  46  -5.555  -2.556   4.537
  451    QG1  ILE  46           QG1      ILE  46  -5.217  -0.706   6.309
  452    QG2  ILE  46           QG2      ILE  46  -4.115  -3.890   6.112
  453    QD1  ILE  46           QD1      ILE  46  -6.367  -2.059   4.890
  454    H    LYS  47           HN       LYS  47  -6.413  -5.353   7.583
  455    HA   LYS  47           HA       LYS  47  -4.641  -6.391   9.726
  456   1HB   LYS  47           2HB      LYS  47  -7.508  -6.322   9.877
  457   2HB   LYS  47           3HB      LYS  47  -7.022  -8.000   9.695
  458   1HG   LYS  47           2HG      LYS  47  -6.951  -7.654  12.044
  459   2HG   LYS  47           3HG      LYS  47  -5.273  -7.485  11.575
  460   1HD   LYS  47           2HD      LYS  47  -6.252  -4.892  11.306
  461   2HD   LYS  47           3HD      LYS  47  -7.095  -5.497  12.715
  462   1HE   LYS  47           2HE      LYS  47  -5.110  -4.624  13.640
  463   2HE   LYS  47           3HE      LYS  47  -4.764  -6.342  13.517
  464   1HZ   LYS  47           3HZ      LYS  47  -4.050  -5.099  11.103
  465   2HZ   LYS  47           1HZ      LYS  47  -3.366  -4.222  12.379
  466   3HZ   LYS  47           2HZ      LYS  47  -3.025  -5.876  12.232
  467    QB   LYS  47           QB       LYS  47  -7.265  -7.161   9.786
  468    QG   LYS  47           QG       LYS  47  -6.112  -7.570  11.810
  469    QD   LYS  47           QD       LYS  47  -6.674  -5.195  12.011
  470    QE   LYS  47           QE       LYS  47  -4.937  -5.483  13.579
  471    QZ   LYS  47           QZ       LYS  47  -3.480  -5.066  11.905
  472    HA   PRO  48           HA       PRO  48  -3.130  -9.647   7.320
  473   1HB   PRO  48           2HB      PRO  48  -5.032 -11.619   8.579
  474   2HB   PRO  48           3HB      PRO  48  -3.292 -11.776   8.316
  475   1HG   PRO  48           2HG      PRO  48  -4.255 -11.115  10.747
  476   2HG   PRO  48           3HG      PRO  48  -2.763 -10.379  10.151
  477   1HD   PRO  48           2HD      PRO  48  -5.477  -9.179  10.420
  478   2HD   PRO  48           3HD      PRO  48  -3.886  -8.386  10.444
  479    QB   PRO  48           QB       PRO  48  -4.162 -11.697   8.448
  480    QG   PRO  48           QG       PRO  48  -3.509 -10.747  10.449
  481    QD   PRO  48           QD       PRO  48  -4.682  -8.782  10.432
  482    H    HIS  49           HN       HIS  49  -3.488 -11.347   5.774
  483    HA   HIS  49           HA       HIS  49  -4.239 -11.520   3.509
  484   1HB   HIS  49           2HB      HIS  49  -6.026 -13.249   3.593
  485   2HB   HIS  49           3HB      HIS  49  -4.637 -13.589   4.589
  486    HD1  HIS  49           HD1      HIS  49  -7.989 -11.993   5.033
  487    HD2  HIS  49           HD2      HIS  49  -5.390 -14.370   7.176
  488    HE1  HIS  49           HE1      HIS  49  -9.143 -12.553   7.210
  489    QB   HIS  49           QB       HIS  49  -5.331 -13.419   4.091
  490    H    SER  50           HN       SER  50  -4.846  -9.054   3.717
  491    HA   SER  50           HA       SER  50  -7.780  -8.884   3.118
  492   1HB   SER  50           2HB      SER  50  -7.568  -7.510   5.019
  493   2HB   SER  50           3HB      SER  50  -5.985  -6.909   4.536
  494    HG   SER  50           HG       SER  50  -8.251  -5.780   4.007
  495    QB   SER  50           QB       SER  50  -6.776  -7.209   4.778
  496    H    THR  51           HN       THR  51  -8.392  -7.452   1.463
  497    HA   THR  51           HA       THR  51  -6.239  -6.872  -0.520
  498    HB   THR  51           HB       THR  51  -7.976  -7.633  -2.279
  499    HG1  THR  51          1HG       THR  51  -9.689  -7.373  -0.643
  500   1HG2  THR  51           1HG      THR  51  -6.167  -9.224  -1.354
  501   2HG2  THR  51           2HG      THR  51  -7.338  -9.725  -0.137
  502   3HG2  THR  51           3HG      THR  51  -7.650 -10.035  -1.841
  503    QG2  THR  51           QG2      THR  51  -7.052  -9.661  -1.111
  504    H    VAL  52           HN       VAL  52  -6.155  -4.745  -0.820
  505    HA   VAL  52           HA       VAL  52  -8.718  -3.227  -1.168
  506    HB   VAL  52           HB       VAL  52  -7.907  -1.424   0.210
  507   1HG1  VAL  52           2HG      VAL  52  -8.914  -3.340   1.440
  508   2HG1  VAL  52           3HG      VAL  52  -7.321  -4.046   1.632
  509   3HG1  VAL  52           1HG      VAL  52  -7.707  -2.519   2.413
  510   1HG2  VAL  52           2HG      VAL  52  -5.361  -3.023   0.472
  511   2HG2  VAL  52           3HG      VAL  52  -5.543  -1.509  -0.412
  512   3HG2  VAL  52           1HG      VAL  52  -5.720  -1.532   1.341
  513    QG1  VAL  52           QG1      VAL  52  -7.981  -3.302   1.828
  514    QG2  VAL  52           QG2      VAL  52  -5.541  -2.021   0.467
  515    QQG  VAL  52           QQG      VAL  52  -6.761  -2.661   1.148
  516    H    ASP  53           HN       ASP  53  -8.221  -1.050  -2.392
  517    HA   ASP  53           HA       ASP  53  -5.946  -1.518  -4.289
  518   1HB   ASP  53           2HB      ASP  53  -8.287  -2.022  -5.134
  519   2HB   ASP  53           3HB      ASP  53  -8.648  -0.315  -4.943
  520    QB   ASP  53           QB       ASP  53  -8.467  -1.168  -5.038
  521    H    PHE  54           HN       PHE  54  -5.227   0.461  -5.483
  522    HA   PHE  54           HA       PHE  54  -5.364   2.916  -3.739
  523   1HB   PHE  54           2HB      PHE  54  -3.181   1.915  -5.594
  524   2HB   PHE  54           3HB      PHE  54  -3.214   3.559  -4.988
  525    HD1  PHE  54           HD2      PHE  54  -4.507   1.469  -2.409
  526    HD2  PHE  54           HD1      PHE  54  -0.874   2.634  -4.310
  527    HE1  PHE  54           HE2      PHE  54  -3.232   0.688  -0.478
  528    HE2  PHE  54           HE1      PHE  54   0.397   1.881  -2.354
  529    HZ   PHE  54           HZ       PHE  54  -0.783   0.914  -0.428
  530    QB   PHE  54           QB       PHE  54  -3.198   2.737  -5.291
  531    QR   PHE  54           QR       PHE  54  -2.054   1.668  -2.388
  532    NH1  ARG  55           NH1      ARG  55  -7.796   6.023  -4.190
  533    NH2  ARG  55           NH2      ARG  55  -7.434   8.278  -4.193
  534    H    ARG  55           HN       ARG  55  -4.085   2.816  -7.014
  535    HA   ARG  55           HA       ARG  55  -6.026   3.557  -8.772
  536   1HB   ARG  55           2HB      ARG  55  -6.219   6.013  -8.723
  537   2HB   ARG  55           3HB      ARG  55  -6.788   5.366  -7.201
  538   1HG   ARG  55           2HG      ARG  55  -4.274   5.708  -6.435
  539   2HG   ARG  55           3HG      ARG  55  -4.201   6.803  -7.805
  540   1HD   ARG  55           2HD      ARG  55  -4.866   8.273  -6.129
  541   2HD   ARG  55           3HD      ARG  55  -6.438   7.766  -6.750
  542    HE   ARG  55           HE       ARG  55  -5.183   6.430  -4.353
  543   1HH1  ARG  55           2HH      ARG  55  -7.471   5.110  -4.468
  544   2HH1  ARG  55           1HH      ARG  55  -8.676   6.121  -3.719
  545   1HH2  ARG  55           2HH      ARG  55  -6.775   9.038  -4.331
  546   2HH2  ARG  55           1HH      ARG  55  -8.358   8.472  -3.868
  547    QB   ARG  55           QB       ARG  55  -6.504   5.689  -7.962
  548    QG   ARG  55           QG       ARG  55  -4.238   6.255  -7.120
  549    QD   ARG  55           QD       ARG  55  -5.652   8.019  -6.440
  550    QH1  ARG  55           QH1      ARG  55  -8.074   5.616  -4.093
  551    QH2  ARG  55           QH2      ARG  55  -7.567   8.755  -4.100
  552    H    VAL  56           HN       VAL  56  -5.217   5.075 -10.531
  553    HA   VAL  56           HA       VAL  56  -2.381   4.643 -10.975
  554    HB   VAL  56           HB       VAL  56  -3.819   3.972 -12.773
  555   1HG1  VAL  56           1HG      VAL  56  -5.071   6.738 -12.623
  556   2HG1  VAL  56           2HG      VAL  56  -5.447   5.519 -13.832
  557   3HG1  VAL  56           3HG      VAL  56  -5.847   5.229 -12.149
  558   1HG2  VAL  56           3HG      VAL  56  -1.789   5.236 -13.510
  559   2HG2  VAL  56           1HG      VAL  56  -3.125   5.380 -14.645
  560   3HG2  VAL  56           2HG      VAL  56  -2.743   6.703 -13.567
  561    QG1  VAL  56           QG1      VAL  56  -5.455   5.829 -12.868
  562    QG2  VAL  56           QG2      VAL  56  -2.552   5.773 -13.907
  563    QQG  VAL  56           QQG      VAL  56  -4.004   5.801 -13.388
  564    H    LYS  57           HN       LYS  57  -1.616   6.233  -9.442
  565    HA   LYS  57           HA       LYS  57  -1.918   9.052 -10.402
  566   1HB   LYS  57           2HB      LYS  57  -2.283   8.696  -7.962
  567   2HB   LYS  57           3HB      LYS  57  -0.679   7.972  -7.837
  568   1HG   LYS  57           2HG      LYS  57   0.423  10.038  -8.317
  569   2HG   LYS  57           3HG      LYS  57  -1.041  10.767  -8.973
  570   1HD   LYS  57           2HD      LYS  57  -0.706  11.719  -6.794
  571   2HD   LYS  57           3HD      LYS  57  -2.057  10.605  -6.655
  572   1HE   LYS  57           2HE      LYS  57  -0.814   9.939  -4.817
  573   2HE   LYS  57           3HE      LYS  57  -0.138   8.864  -6.032
  574   1HZ   LYS  57           3HZ      LYS  57   1.304  11.263  -6.156
  575   2HZ   LYS  57           1HZ      LYS  57   1.174  10.802  -4.515
  576   3HZ   LYS  57           2HZ      LYS  57   1.850   9.746  -5.655
  577    QB   LYS  57           QB       LYS  57  -1.481   8.334  -7.899
  578    QG   LYS  57           QG       LYS  57  -0.309  10.403  -8.645
  579    QD   LYS  57           QD       LYS  57  -1.382  11.162  -6.725
  580    QE   LYS  57           QE       LYS  57  -0.476   9.401  -5.424
  581    QZ   LYS  57           QZ       LYS  57   1.443  10.604  -5.442
  582    H    ALA  58           HN       ALA  58   0.151  10.240 -10.715
  583    HA   ALA  58           HA       ALA  58   2.458   8.412 -11.263
  584   1HB   ALA  58           3HB      ALA  58   1.159   8.974 -13.321
  585   2HB   ALA  58           1HB      ALA  58   1.481  10.675 -13.042
  586   3HB   ALA  58           2HB      ALA  58   2.808   9.578 -13.396
  587    QB   ALA  58           QB       ALA  58   1.816   9.742 -13.253
  588    H    GLU  59           HN       GLU  59   4.182  10.110 -12.270
  589    HA   GLU  59           HA       GLU  59   5.781  11.731 -11.916
  590   1HB   GLU  59           2HB      GLU  59   3.872  12.986  -9.919
  591   2HB   GLU  59           3HB      GLU  59   5.260  13.747 -10.683
  592   1HG   GLU  59           2HG      GLU  59   2.674  12.870 -11.998
  593   2HG   GLU  59           3HG      GLU  59   3.363  14.488 -11.941
  594    QB   GLU  59           QB       GLU  59   4.566  13.366 -10.301
  595    QG   GLU  59           QG       GLU  59   3.019  13.679 -11.970
  596    H    ASP  60           HN       ASP  60   4.257  11.137  -8.741
  597    HA   ASP  60           HA       ASP  60   7.012  10.940  -7.622
  598   1HB   ASP  60           2HB      ASP  60   5.877  10.984  -5.430
  599   2HB   ASP  60           3HB      ASP  60   5.359  12.330  -6.434
  600    QB   ASP  60           QB       ASP  60   5.618  11.657  -5.932
  601    H    ILE  61           HN       ILE  61   5.139   8.791  -9.134
  602    HA   ILE  61           HA       ILE  61   4.506   6.679  -7.616
  603    HB   ILE  61           HB       ILE  61   5.482   5.721  -9.915
  604   1HG1  ILE  61           2HG      ILE  61   4.676   8.401 -10.833
  605   2HG1  ILE  61           3HG      ILE  61   6.365   8.037 -10.492
  606   1HG2  ILE  61           1HG      ILE  61   2.911   7.199  -9.493
  607   2HG2  ILE  61           2HG      ILE  61   3.186   6.093 -10.832
  608   3HG2  ILE  61           3HG      ILE  61   3.186   5.489  -9.181
  609   1HD1  ILE  61           1HD      ILE  61   4.585   6.466 -12.396
  610   2HD1  ILE  61           2HD      ILE  61   5.811   7.629 -12.884
  611   3HD1  ILE  61           3HD      ILE  61   6.284   6.140 -12.071
  612    QG1  ILE  61           QG1      ILE  61   5.520   8.219 -10.662
  613    QG2  ILE  61           QG2      ILE  61   3.094   6.260  -9.835
  614    QD1  ILE  61           QD1      ILE  61   5.560   6.745 -12.450
  615    H    LEU  62           HN       LEU  62   7.635   7.232  -9.184
  616    HA   LEU  62           HA       LEU  62   9.154   5.116  -8.589
  617   1HB   LEU  62           2HB      LEU  62  10.280   7.008  -9.466
  618   2HB   LEU  62           3HB      LEU  62   9.793   8.031  -8.127
  619    HG   LEU  62           HG       LEU  62  11.302   6.801  -6.602
  620   1HD1  LEU  62           1HD      LEU  62  12.045   5.206  -9.089
  621   2HD1  LEU  62           2HD      LEU  62  12.874   5.113  -7.539
  622   3HD1  LEU  62           3HD      LEU  62  11.209   4.570  -7.676
  623   1HD2  LEU  62           3HD      LEU  62  12.196   8.730  -7.864
  624   2HD2  LEU  62           1HD      LEU  62  13.442   7.515  -7.598
  625   3HD2  LEU  62           2HD      LEU  62  12.670   7.655  -9.176
  626    QB   LEU  62           QB       LEU  62  10.037   7.519  -8.797
  627    QD1  LEU  62           QD1      LEU  62  12.043   4.963  -8.101
  628    QD2  LEU  62           QD2      LEU  62  12.769   7.967  -8.213
  629    QQD  LEU  62           QQD      LEU  62  12.406   6.465  -8.157
  630    H    ALA  63           HN       ALA  63   8.538   7.520  -5.991
  631    HA   ALA  63           HA       ALA  63   9.926   5.883  -4.047
  632   1HB   ALA  63           2HB      ALA  63   9.539   8.308  -3.686
  633   2HB   ALA  63           3HB      ALA  63   7.803   8.024  -3.605
  634   3HB   ALA  63           1HB      ALA  63   8.862   7.372  -2.359
  635    QB   ALA  63           QB       ALA  63   8.735   7.901  -3.217
  636    H    VAL  64           HN       VAL  64   6.593   6.106  -5.055
  637    HA   VAL  64           HA       VAL  64   5.582   4.407  -2.922
  638    HB   VAL  64           HB       VAL  64   4.416   5.086  -5.651
  639   1HG1  VAL  64           3HG      VAL  64   3.387   3.091  -4.596
  640   2HG1  VAL  64           1HG      VAL  64   3.086   4.022  -3.134
  641   3HG1  VAL  64           2HG      VAL  64   2.265   4.441  -4.635
  642   1HG2  VAL  64           1HG      VAL  64   4.007   6.361  -2.919
  643   2HG2  VAL  64           2HG      VAL  64   4.871   7.091  -4.270
  644   3HG2  VAL  64           3HG      VAL  64   3.139   6.805  -4.386
  645    QG1  VAL  64           QG1      VAL  64   2.913   3.851  -4.122
  646    QG2  VAL  64           QG2      VAL  64   4.006   6.752  -3.858
  647    QQG  VAL  64           QQG      VAL  64   3.459   5.302  -3.990
  648    H    GLU  65           HN       GLU  65   6.190   3.887  -6.399
  649    HA   GLU  65           HA       GLU  65   5.637   1.098  -6.389
  650   1HB   GLU  65           2HB      GLU  65   7.614   2.556  -8.196
  651   2HB   GLU  65           3HB      GLU  65   6.758   1.064  -8.554
  652   1HG   GLU  65           2HG      GLU  65   4.579   2.461  -8.200
  653   2HG   GLU  65           3HG      GLU  65   5.615   3.864  -8.347
  654    QB   GLU  65           QB       GLU  65   7.186   1.810  -8.375
  655    QG   GLU  65           QG       GLU  65   5.097   3.163  -8.273
  656    H    ASP  66           HN       ASP  66   8.620   2.933  -5.799
  657    HA   ASP  66           HA       ASP  66  10.386   0.712  -5.456
  658   1HB   ASP  66           2HB      ASP  66  11.093   3.144  -5.617
  659   2HB   ASP  66           3HB      ASP  66  10.502   3.369  -3.977
  660    QB   ASP  66           QB       ASP  66  10.797   3.257  -4.797
  661    H    PHE  67           HN       PHE  67   8.695   2.662  -3.034
  662    HA   PHE  67           HA       PHE  67   9.258   1.181  -0.679
  663   1HB   PHE  67           2HB      PHE  67   7.983   3.393  -0.910
  664   2HB   PHE  67           3HB      PHE  67   6.568   2.464  -1.326
  665    HD1  PHE  67           HD1      PHE  67   5.461   1.031   0.303
  666    HD2  PHE  67           HD2      PHE  67   8.877   3.306   1.458
  667    HE1  PHE  67           HE1      PHE  67   5.059   0.459   2.646
  668    HE2  PHE  67           HE2      PHE  67   8.459   2.727   3.807
  669    HZ   PHE  67           HZ       PHE  67   6.561   1.260   4.396
  670    QB   PHE  67           QB       PHE  67   7.275   2.928  -1.118
  671    QR   PHE  67           QR       PHE  67   6.964   1.881   2.053
  672    H    LEU  68           HN       LEU  68   7.203   0.505  -3.294
  673    HA   LEU  68           HA       LEU  68   6.030  -1.836  -1.889
  674   1HB   LEU  68           2HB      LEU  68   5.445  -0.586  -4.584
  675   2HB   LEU  68           3HB      LEU  68   4.630  -2.023  -3.989
  676    HG   LEU  68           HG       LEU  68   4.660   0.658  -2.546
  677   1HD1  LEU  68           3HD      LEU  68   3.404   0.756  -4.678
  678   2HD1  LEU  68           1HD      LEU  68   2.478  -0.664  -4.202
  679   3HD1  LEU  68           2HD      LEU  68   2.312   0.839  -3.302
  680   1HD2  LEU  68           2HD      LEU  68   3.072  -1.907  -2.056
  681   2HD2  LEU  68           3HD      LEU  68   4.335  -1.254  -1.018
  682   3HD2  LEU  68           1HD      LEU  68   2.822  -0.384  -1.205
  683    QB   LEU  68           QB       LEU  68   5.037  -1.305  -4.287
  684    QD1  LEU  68           QD1      LEU  68   2.731   0.310  -4.061
  685    QD2  LEU  68           QD2      LEU  68   3.410  -1.182  -1.426
  686    QQD  LEU  68           QQD      LEU  68   3.071  -0.436  -2.743
  687    H    GLU  69           HN       GLU  69   8.597  -1.332  -4.156
  688    HA   GLU  69           HA       GLU  69   8.376  -4.174  -5.052
  689   1HB   GLU  69           2HB      GLU  69   8.705  -2.436  -6.805
  690   2HB   GLU  69           3HB      GLU  69  10.247  -2.023  -6.078
  691   1HG   GLU  69           2HG      GLU  69  11.035  -4.361  -6.408
  692   2HG   GLU  69           3HG      GLU  69   9.501  -4.771  -7.155
  693    QB   GLU  69           QB       GLU  69   9.476  -2.229  -6.441
  694    QG   GLU  69           QG       GLU  69  10.268  -4.566  -6.781
  695    H    GLN  70           HN       GLN  70  10.994  -2.001  -3.985
  696    HA   GLN  70           HA       GLN  70  13.105  -3.723  -3.659
  697   1HB   GLN  70           2HB      GLN  70  12.261  -1.740  -1.518
  698   2HB   GLN  70           3HB      GLN  70  13.878  -2.389  -1.750
  699   1HG   GLN  70           2HG      GLN  70  12.350  -0.560  -3.626
  700   2HG   GLN  70           3HG      GLN  70  13.859  -0.218  -2.792
  701   1HE2  GLN  70           2HE      GLN  70  14.059  -1.772  -6.417
  702   2HE2  GLN  70           1HE      GLN  70  12.785  -0.844  -5.784
  703    QB   GLN  70           QB       GLN  70  13.069  -2.065  -1.634
  704    QG   GLN  70           QG       GLN  70  13.105  -0.389  -3.209
  705    QE2  GLN  70           QE2      GLN  70  13.422  -1.308  -6.100
  706    H    ASN  71           HN       ASN  71  10.259  -3.728  -1.709
  707    HA   ASN  71           HA       ASN  71  11.331  -5.924  -0.003
  708   1HB   ASN  71           2HB      ASN  71   9.377  -5.258   1.480
  709   2HB   ASN  71           3HB      ASN  71  10.673  -4.068   1.342
  710   1HD2  ASN  71           2HD      ASN  71   7.973  -1.953   0.538
  711   2HD2  ASN  71           1HD      ASN  71   8.950  -2.435   1.807
  712    QB   ASN  71           QB       ASN  71  10.025  -4.663   1.411
  713    QD2  ASN  71           QD2      ASN  71   8.461  -2.194   1.172
  714    H    GLU  72           HN       GLU  72   9.172  -5.161  -2.465
  715    HA   GLU  72           HA       GLU  72   7.467  -6.308  -3.548
  716   1HB   GLU  72           2HB      GLU  72   8.676  -8.626  -2.008
  717   2HB   GLU  72           3HB      GLU  72   7.366  -8.813  -3.158
  718   1HG   GLU  72           2HG      GLU  72   8.756  -7.843  -4.942
  719   2HG   GLU  72           3HG      GLU  72  10.072  -7.592  -3.799
  720    QB   GLU  72           QB       GLU  72   8.021  -8.719  -2.583
  721    QG   GLU  72           QG       GLU  72   9.414  -7.718  -4.371
  722    H    LEU  73           HN       LEU  73   6.812  -4.779  -1.471
  723    HA   LEU  73           HA       LEU  73   5.275  -6.024   0.594
  724   1HB   LEU  73           2HB      LEU  73   6.232  -3.604   0.373
  725   2HB   LEU  73           3HB      LEU  73   4.784  -3.269  -0.554
  726    HG   LEU  73           HG       LEU  73   3.414  -4.042   1.379
  727   1HD1  LEU  73           1HD      LEU  73   6.108  -4.109   2.792
  728   2HD1  LEU  73           2HD      LEU  73   4.549  -4.219   3.605
  729   3HD1  LEU  73           3HD      LEU  73   5.059  -5.495   2.511
  730   1HD2  LEU  73           2HD      LEU  73   5.417  -1.814   1.908
  731   2HD2  LEU  73           3HD      LEU  73   3.883  -1.650   1.066
  732   3HD2  LEU  73           1HD      LEU  73   3.904  -2.011   2.786
  733    QB   LEU  73           QB       LEU  73   5.508  -3.437  -0.090
  734    QD1  LEU  73           QD1      LEU  73   5.239  -4.608   2.969
  735    QD2  LEU  73           QD2      LEU  73   4.401  -1.825   1.920
  736    QQD  LEU  73           QQD      LEU  73   4.820  -3.216   2.445
  737    H    GLN  74           HN       GLN  74   4.260  -7.577  -0.622
  738    HA   GLN  74           HA       GLN  74   2.761  -8.318  -2.396
  739   1HB   GLN  74           2HB      GLN  74   1.150  -7.595   0.061
  740   2HB   GLN  74           3HB      GLN  74   0.828  -8.912  -1.053
  741   1HG   GLN  74           2HG      GLN  74   3.303  -8.675   0.711
  742   2HG   GLN  74           3HG      GLN  74   1.928  -9.714   1.028
  743   1HE2  GLN  74           2HE      GLN  74   3.404 -12.314  -0.824
  744   2HE2  GLN  74           1HE      GLN  74   2.461 -11.857   0.519
  745    QB   GLN  74           QB       GLN  74   0.989  -8.254  -0.496
  746    QG   GLN  74           QG       GLN  74   2.615  -9.195   0.869
  747    QE2  GLN  74           QE2      GLN  74   2.932 -12.085  -0.152
  748    OH   TYR  75           OH       TYR  75   6.556  -4.823  -7.902
  749    H    TYR  75           HN       TYR  75   2.933  -6.244  -3.770
  750    HA   TYR  75           HA       TYR  75   0.282  -4.873  -3.795
  751   1HB   TYR  75           2HB      TYR  75   1.331  -3.122  -5.139
  752   2HB   TYR  75           3HB      TYR  75   2.299  -3.384  -3.701
  753    HD1  TYR  75           HD1      TYR  75   4.415  -4.855  -3.900
  754    HD2  TYR  75           HD2      TYR  75   2.292  -3.410  -7.306
  755    HE1  TYR  75           HE1      TYR  75   6.343  -5.338  -5.319
  756    HE2  TYR  75           HE2      TYR  75   4.253  -3.842  -8.706
  757    HH   TYR  75           HH       TYR  75   7.340  -4.823  -7.334
  758    QB   TYR  75           QB       TYR  75   1.815  -3.253  -4.420
  759    QR   TYR  75           QR       TYR  75   4.326  -4.361  -6.308
  760    H    GLU  76           HN       GLU  76  -0.853  -4.847  -5.801
  761    HA   GLU  76           HA       GLU  76   0.143  -6.840  -7.797
  762   1HB   GLU  76           2HB      GLU  76  -1.614  -7.864  -6.388
  763   2HB   GLU  76           3HB      GLU  76  -2.702  -6.545  -6.774
  764   1HG   GLU  76           2HG      GLU  76  -2.465  -7.186  -9.229
  765   2HG   GLU  76           3HG      GLU  76  -1.582  -8.608  -8.694
  766    QB   GLU  76           QB       GLU  76  -2.158  -7.205  -6.581
  767    QG   GLU  76           QG       GLU  76  -2.024  -7.897  -8.961
  768    H    VAL  77           HN       VAL  77  -0.085  -6.269  -9.873
  769    HA   VAL  77           HA       VAL  77  -1.627  -3.788 -10.478
  770    HB   VAL  77           HB       VAL  77   0.925  -3.537 -10.380
  771   1HG1  VAL  77           1HG      VAL  77   1.498  -5.704 -11.404
  772   2HG1  VAL  77           2HG      VAL  77   0.773  -5.192 -12.922
  773   3HG1  VAL  77           3HG      VAL  77   2.202  -4.371 -12.312
  774   1HG2  VAL  77           2HG      VAL  77  -0.519  -1.941 -11.580
  775   2HG2  VAL  77           3HG      VAL  77   1.015  -2.160 -12.414
  776   3HG2  VAL  77           1HG      VAL  77  -0.439  -2.943 -13.024
  777    QG1  VAL  77           QG1      VAL  77   1.491  -5.089 -12.213
  778    QG2  VAL  77           QG2      VAL  77   0.019  -2.348 -12.339
  779    QQG  VAL  77           QQG      VAL  77   0.755  -3.719 -12.276
  780    H    LEU  78           HN       LEU  78  -2.798  -3.890 -12.397
  781    HA   LEU  78           HA       LEU  78  -2.846  -6.589 -13.690
  782   1HB   LEU  78           2HB      LEU  78  -5.028  -4.488 -13.424
  783   2HB   LEU  78           3HB      LEU  78  -5.207  -6.002 -14.294
  784    HG   LEU  78           HG       LEU  78  -4.388  -5.898 -11.369
  785   1HD1  LEU  78           3HD      LEU  78  -7.162  -6.250 -12.561
  786   2HD1  LEU  78           1HD      LEU  78  -6.761  -6.417 -10.857
  787   3HD1  LEU  78           2HD      LEU  78  -6.616  -4.850 -11.645
  788   1HD2  LEU  78           2HD      LEU  78  -5.575  -8.100 -13.114
  789   2HD2  LEU  78           3HD      LEU  78  -3.890  -8.004 -12.611
  790   3HD2  LEU  78           1HD      LEU  78  -5.150  -8.264 -11.416
  791    QB   LEU  78           QB       LEU  78  -5.117  -5.245 -13.859
  792    QD1  LEU  78           QD1      LEU  78  -6.846  -5.839 -11.688
  793    QD2  LEU  78           QD2      LEU  78  -4.872  -8.123 -12.380
  794    QQD  LEU  78           QQD      LEU  78  -5.859  -6.981 -12.034
  795    H    ILE  79           HN       ILE  79  -1.007  -4.601 -14.349
  796    HA   ILE  79           HA       ILE  79  -1.675  -4.197 -17.211
  797    HB   ILE  79           HB       ILE  79  -0.481  -1.976 -15.497
  798   1HG1  ILE  79           2HG      ILE  79  -3.322  -2.403 -16.504
  799   2HG1  ILE  79           3HG      ILE  79  -2.805  -2.238 -14.836
  800   1HG2  ILE  79           1HG      ILE  79   0.171  -2.000 -17.907
  801   2HG2  ILE  79           2HG      ILE  79  -1.530  -1.984 -18.355
  802   3HG2  ILE  79           3HG      ILE  79  -0.822  -0.606 -17.518
  803   1HD1  ILE  79           2HD      ILE  79  -2.054   0.104 -15.347
  804   2HD1  ILE  79           3HD      ILE  79  -2.715  -0.070 -16.964
  805   3HD1  ILE  79           1HD      ILE  79  -3.782  -0.126 -15.568
  806    QG1  ILE  79           QG1      ILE  79  -3.064  -2.320 -15.670
  807    QG2  ILE  79           QG2      ILE  79  -0.727  -1.530 -17.927
  808    QD1  ILE  79           QD1      ILE  79  -2.850  -0.031 -15.960
  809    H    ASN  80           HN       ASN  80  -0.218  -6.197 -16.754
  810    HA   ASN  80           HA       ASN  80   2.644  -5.308 -16.842
  811   1HB   ASN  80           2HB      ASN  80   3.173  -7.627 -15.999
  812   2HB   ASN  80           3HB      ASN  80   2.247  -6.657 -14.857
  813   1HD2  ASN  80           2HD      ASN  80   0.674 -10.103 -16.155
  814   2HD2  ASN  80           1HD      ASN  80   2.307  -9.693 -16.379
  815    QB   ASN  80           QB       ASN  80   2.710  -7.142 -15.428
  816    QD2  ASN  80           QD2      ASN  80   1.490  -9.898 -16.267
  817    H    ASN  81           HN       ASN  81   0.774  -8.195 -17.873
  818    HA   ASN  81           HA       ASN  81   1.713  -7.811 -20.624
  819   1HB   ASN  81           2HB      ASN  81   3.535  -9.097 -19.408
  820   2HB   ASN  81           3HB      ASN  81   2.358 -10.368 -19.108
  821   1HD2  ASN  81                 ASN  81   2.287 -10.382 -23.015
  822   2HD2  ASN  81           1HD      ASN  81   1.256  -9.501 -21.992
  823    QB   ASN  81           QB       ASN  81   2.946  -9.733 -19.258
  824    QD2  ASN  81           QD2      ASN  81   1.771  -9.941 -22.504
   
  Start of MODEL           2
 Raw file had 824 H/Q atoms
  Start of MODEL    2
    1   1H    HIS   1           HN2      HIS   1   6.754   1.191 -26.144
    2   2H    HIS   1           HN3      HIS   1   5.111   1.064 -26.319
    3   3H    HIS   1           HN1      HIS   1   5.809   2.551 -26.107
    4    HA   HIS   1           HA       HIS   1   5.545   2.399 -23.940
    5   1HB   HIS   1           2HB      HIS   1   4.779  -0.494 -24.451
    6   2HB   HIS   1           3HB      HIS   1   4.515   0.374 -22.963
    7    HD1  HIS   1           HD1      HIS   1   2.586   1.952 -22.873
    8    HD2  HIS   1           HD2      HIS   1   2.909   0.200 -26.598
    9    HE1  HIS   1           HE1      HIS   1   0.548   2.642 -24.178
   10    QB   HIS   1           QB       HIS   1   4.647  -0.060 -23.707
   11    H    HIS   2           HN       HIS   2   6.446   1.312 -21.996
   12    HA   HIS   2           HA       HIS   2   9.006  -0.128 -22.624
   13   1HB   HIS   2           2HB      HIS   2   8.375   1.868 -20.424
   14   2HB   HIS   2           3HB      HIS   2   9.811   0.884 -20.437
   15    HD1  HIS   2           HD1      HIS   2  10.639   3.530 -20.420
   16    HD2  HIS   2           HD2      HIS   2   9.434   1.999 -24.045
   17    HE1  HIS   2           HE1      HIS   2  11.601   5.040 -22.190
   18    QB   HIS   2           QB       HIS   2   9.093   1.376 -20.431
   19    H    SER   3           HN       SER   3   6.657   0.543 -20.102
   20    HA   SER   3           HA       SER   3   6.677  -2.345 -19.339
   21   1HB   SER   3           2HB      SER   3   7.736  -1.051 -17.553
   22   2HB   SER   3           3HB      SER   3   6.449   0.165 -17.601
   23    HG   SER   3           HG       SER   3   5.303  -1.064 -16.393
   24    QB   SER   3           QB       SER   3   7.093  -0.444 -17.577
   25    H    GLY   4           HN       GLY   4   4.419  -2.188 -17.679
   26   1HA   GLY   4           1HA      GLY   4   2.275  -2.010 -19.655
   27   2HA   GLY   4           2HA      GLY   4   2.086  -2.473 -17.964
   28    QA   GLY   4           QA       GLY   4   2.181  -2.241 -18.810
   29    H    GLU   5           HN       GLU   5   3.203   0.361 -19.716
   30    HA   GLU   5           HA       GLU   5   1.527   2.109 -17.963
   31   1HB   GLU   5           2HB      GLU   5   3.696   3.280 -19.658
   32   2HB   GLU   5           3HB      GLU   5   3.223   3.694 -18.017
   33   1HG   GLU   5           2HG      GLU   5   4.724   1.132 -18.697
   34   2HG   GLU   5           3HG      GLU   5   5.524   2.624 -18.243
   35    QB   GLU   5           QB       GLU   5   3.459   3.487 -18.837
   36    QG   GLU   5           QG       GLU   5   5.124   1.879 -18.470
   37    H    HIS   6           HN       HIS   6  -0.080   3.265 -19.056
   38    HA   HIS   6           HA       HIS   6  -0.470   2.629 -21.900
   39   1HB   HIS   6           2HB      HIS   6  -2.035   4.693 -20.352
   40   2HB   HIS   6           3HB      HIS   6  -2.549   3.758 -21.729
   41    HD1  HIS   6           HD1      HIS   6  -1.874   3.433 -18.116
   42    HD2  HIS   6           HD2      HIS   6  -3.652   1.186 -21.077
   43    HE1  HIS   6           HE1      HIS   6  -2.882   1.425 -16.990
   44    QB   HIS   6           QB       HIS   6  -2.292   4.226 -21.041
   45    H    PHE   7           HN       PHE   7   0.045   5.549 -19.984
   46    HA   PHE   7           HA       PHE   7   1.327   6.775 -22.397
   47   1HB   PHE   7           2HB      PHE   7  -0.925   7.812 -21.846
   48   2HB   PHE   7           3HB      PHE   7  -0.270   8.283 -20.286
   49    HD1  PHE   7          1HD       PHE   7   0.566   8.541 -23.936
   50    HD2  PHE   7          2HD       PHE   7   0.777  10.373 -20.095
   51    HE1  PHE   7          1HE       PHE   7   1.569  10.550 -24.945
   52    HE2  PHE   7          2HE       PHE   7   1.767  12.377 -21.106
   53    HZ   PHE   7           HZ       PHE   7   2.169  12.469 -23.530
   54    QB   PHE   7           QB       PHE   7  -0.597   8.047 -21.066
   55    QR   PHE   7           QR       PHE   7   1.169  10.461 -22.520
   56    H    GLU   8           HN       GLU   8   0.935   7.432 -18.931
   57    HA   GLU   8           HA       GLU   8   3.879   7.253 -18.613
   58   1HB   GLU   8           2HB      GLU   8   3.286   9.651 -19.036
   59   2HB   GLU   8           3HB      GLU   8   2.210   9.615 -17.649
   60   1HG   GLU   8           2HG      GLU   8   5.136   8.879 -17.380
   61   2HG   GLU   8           3HG      GLU   8   4.596  10.551 -17.269
   62    QB   GLU   8           QB       GLU   8   2.748   9.634 -18.343
   63    QG   GLU   8           QG       GLU   8   4.866   9.715 -17.325
   64    H    GLY   9           HN       GLY   9   1.175   8.339 -16.559
   65   1HA   GLY   9           1HA      GLY   9   1.720   5.985 -14.803
   66   2HA   GLY   9           2HA      GLY   9   1.643   7.602 -14.119
   67    QA   GLY   9           QA       GLY   9   1.681   6.794 -14.460
   68    H    GLU  10           HN       GLU  10  -0.436   5.761 -16.400
   69    HA   GLU  10           HA       GLU  10  -2.686   6.460 -14.548
   70   1HB   GLU  10           2HB      GLU  10  -4.216   6.463 -16.459
   71   2HB   GLU  10           3HB      GLU  10  -2.936   7.635 -16.682
   72   1HG   GLU  10           2HG      GLU  10  -3.152   4.924 -18.023
   73   2HG   GLU  10           3HG      GLU  10  -3.306   6.495 -18.782
   74    QB   GLU  10           QB       GLU  10  -3.576   7.049 -16.571
   75    QG   GLU  10           QG       GLU  10  -3.229   5.709 -18.403
   76    H    LYS  11           HN       LYS  11  -1.842   4.482 -13.458
   77    HA   LYS  11           HA       LYS  11  -3.223   2.112 -14.584
   78   1HB   LYS  11           2HB      LYS  11  -1.190   0.740 -13.595
   79   2HB   LYS  11           3HB      LYS  11  -1.109   1.390 -15.221
   80   1HG   LYS  11           2HG      LYS  11   0.211   3.290 -14.461
   81   2HG   LYS  11           3HG      LYS  11   0.020   2.804 -12.777
   82   1HD   LYS  11           2HD      LYS  11   1.216   0.675 -13.263
   83   2HD   LYS  11           3HD      LYS  11   1.404   1.164 -14.946
   84   1HE   LYS  11           2HE      LYS  11   2.752   3.092 -14.282
   85   2HE   LYS  11           3HE      LYS  11   2.504   2.722 -12.581
   86   1HZ   LYS  11           3HZ      LYS  11   3.491   0.416 -13.782
   87   2HZ   LYS  11           1HZ      LYS  11   4.440   1.705 -14.343
   88   3HZ   LYS  11           2HZ      LYS  11   4.273   1.426 -12.649
   89    QB   LYS  11           QB       LYS  11  -1.149   1.064 -14.408
   90    QG   LYS  11           QG       LYS  11   0.115   3.047 -13.619
   91    QD   LYS  11           QD       LYS  11   1.310   0.920 -14.104
   92    QE   LYS  11           QE       LYS  11   2.628   2.907 -13.431
   93    QZ   LYS  11           QZ       LYS  11   4.068   1.182 -13.592
   94    H    VAL  12           HN       VAL  12  -3.768   0.534 -12.962
   95    HA   VAL  12           HA       VAL  12  -4.256   1.881 -10.354
   96    HB   VAL  12           HB       VAL  12  -5.446  -0.786 -11.087
   97   1HG1  VAL  12           3HG      VAL  12  -5.903   0.258  -8.883
   98   2HG1  VAL  12           1HG      VAL  12  -6.532   1.685  -9.688
   99   3HG1  VAL  12           2HG      VAL  12  -7.374   0.150  -9.841
  100   1HG2  VAL  12           1HG      VAL  12  -6.393   1.866 -12.236
  101   2HG2  VAL  12           2HG      VAL  12  -5.735   0.516 -13.157
  102   3HG2  VAL  12           3HG      VAL  12  -7.276   0.343 -12.332
  103    QG1  VAL  12           QG1      VAL  12  -6.603   0.698  -9.470
  104    QG2  VAL  12           QG2      VAL  12  -6.469   0.908 -12.575
  105    QQG  VAL  12           QQG      VAL  12  -6.536   0.803 -11.023
  106    H    PHE  13           HN       PHE  13  -3.980   0.588  -8.380
  107    HA   PHE  13           HA       PHE  13  -2.006  -1.626  -8.636
  108   1HB   PHE  13           2HB      PHE  13  -1.772   0.696  -6.691
  109   2HB   PHE  13           3HB      PHE  13  -0.766  -0.738  -6.666
  110    HD1  PHE  13          1HD       PHE  13  -1.679   2.183  -8.817
  111    HD2  PHE  13          2HD       PHE  13   1.202  -0.845  -7.975
  112    HE1  PHE  13          1HE       PHE  13  -0.003   3.395 -10.137
  113    HE2  PHE  13          2HE       PHE  13   2.860   0.370  -9.324
  114    HZ   PHE  13           HZ       PHE  13   2.299   2.529 -10.318
  115    QB   PHE  13           QB       PHE  13  -1.269  -0.021  -6.679
  116    QR   PHE  13           QR       PHE  13   0.595   1.275  -9.063
  117    NH1  ARG  14           NH2      ARG  14  -3.391  -9.306  -5.155
  118    NH2  ARG  14           NH1      ARG  14  -3.628  -9.300  -7.436
  119    H    ARG  14           HN       ARG  14  -1.884  -2.944  -6.800
  120    HA   ARG  14           HA       ARG  14  -4.021  -2.690  -4.748
  121   1HB   ARG  14           2HB      ARG  14  -5.054  -4.169  -6.334
  122   2HB   ARG  14           3HB      ARG  14  -3.554  -5.020  -6.616
  123   1HG   ARG  14           2HG      ARG  14  -3.670  -5.776  -4.147
  124   2HG   ARG  14           3HG      ARG  14  -5.314  -5.148  -4.151
  125   1HD   ARG  14           2HD      ARG  14  -5.279  -7.578  -4.670
  126   2HD   ARG  14           3HD      ARG  14  -5.883  -6.662  -6.034
  127    HE   ARG  14           HE       ARG  14  -3.401  -6.802  -6.889
  128   1HH1  ARG  14           2HH      ARG  14  -3.361  -8.796  -4.289
  129   2HH1  ARG  14           1HH      ARG  14  -3.221 -10.291  -5.143
  130   1HH2  ARG  14           2HH      ARG  14  -3.794  -8.778  -8.288
  131   2HH2  ARG  14           1HH      ARG  14  -3.429 -10.274  -7.495
  132    QB   ARG  14           QB       ARG  14  -4.304  -4.594  -6.474
  133    QG   ARG  14           QG       ARG  14  -4.492  -5.462  -4.149
  134    QD   ARG  14           QD       ARG  14  -5.582  -7.119  -5.352
  135    QH1  ARG  14           QH2      ARG  14  -3.291  -9.543  -4.716
  136    QH2  ARG  14           QH1      ARG  14  -3.612  -9.526  -7.892
  137    H    VAL  15           HN       VAL  15  -3.461  -3.664  -2.823
  138    HA   VAL  15           HA       VAL  15  -0.803  -5.006  -2.704
  139    HB   VAL  15           HB       VAL  15  -1.764  -2.835  -0.781
  140   1HG1  VAL  15           1HG      VAL  15   0.826  -4.441  -0.845
  141   2HG1  VAL  15           2HG      VAL  15   0.459  -3.141   0.281
  142   3HG1  VAL  15           3HG      VAL  15  -0.456  -4.641   0.341
  143   1HG2  VAL  15           1HG      VAL  15   0.545  -2.898  -2.774
  144   2HG2  VAL  15           2HG      VAL  15  -0.927  -1.952  -2.949
  145   3HG2  VAL  15           3HG      VAL  15   0.211  -1.582  -1.656
  146    QG1  VAL  15           QG1      VAL  15   0.277  -4.074  -0.074
  147    QG2  VAL  15           QG2      VAL  15  -0.057  -2.143  -2.460
  148    QQG  VAL  15           QQG      VAL  15   0.110  -3.109  -1.267
  149    H    ASN  16           HN       ASN  16  -0.771  -6.575  -0.950
  150    HA   ASN  16           HA       ASN  16  -3.566  -7.200  -0.051
  151   1HB   ASN  16           2HB      ASN  16  -1.308  -8.966  -0.975
  152   2HB   ASN  16           3HB      ASN  16  -2.542  -9.615   0.093
  153   1HD2  ASN  16           2HD      ASN  16  -4.678  -8.131  -2.942
  154   2HD2  ASN  16           1HD      ASN  16  -4.011  -7.162  -1.721
  155    QB   ASN  16           QB       ASN  16  -1.925  -9.291  -0.441
  156    QD2  ASN  16           QD2      ASN  16  -4.344  -7.646  -2.332
  157    H    VAL  17           HN       VAL  17  -3.771  -8.272   1.965
  158    HA   VAL  17           HA       VAL  17  -1.618  -7.413   3.864
  159    HB   VAL  17           HB       VAL  17  -4.537  -7.753   4.608
  160   1HG1  VAL  17           1HG      VAL  17  -2.278  -6.045   5.696
  161   2HG1  VAL  17           2HG      VAL  17  -3.905  -6.121   6.360
  162   3HG1  VAL  17           3HG      VAL  17  -2.866  -7.541   6.412
  163   1HG2  VAL  17           3HG      VAL  17  -3.218  -5.254   3.469
  164   2HG2  VAL  17           1HG      VAL  17  -4.513  -6.174   2.714
  165   3HG2  VAL  17           2HG      VAL  17  -4.817  -5.298   4.206
  166    QG1  VAL  17           QG1      VAL  17  -3.017  -6.569   6.156
  167    QG2  VAL  17           QG2      VAL  17  -4.182  -5.575   3.463
  168    QQG  VAL  17           QQG      VAL  17  -3.599  -6.073   4.810
  169    H    GLU  18           HN       GLU  18  -0.731  -9.525   3.286
  170    HA   GLU  18           HA       GLU  18  -2.048 -11.962   3.941
  171   1HB   GLU  18           2HB      GLU  18   0.927 -11.303   3.897
  172   2HB   GLU  18           3HB      GLU  18   0.244 -12.918   3.877
  173   1HG   GLU  18           2HG      GLU  18  -0.257 -10.805   1.748
  174   2HG   GLU  18           3HG      GLU  18   0.840 -12.171   1.581
  175    QB   GLU  18           QB       GLU  18   0.585 -12.111   3.887
  176    QG   GLU  18           QG       GLU  18   0.292 -11.488   1.664
  177    H    ASP  19           HN       ASP  19   0.037  -9.790   5.765
  178    HA   ASP  19           HA       ASP  19  -0.863 -11.087   8.259
  179   1HB   ASP  19           2HB      ASP  19   1.299 -11.687   9.007
  180   2HB   ASP  19           3HB      ASP  19   1.329 -12.141   7.313
  181    QB   ASP  19           QB       ASP  19   1.314 -11.914   8.160
  182    H    GLU  20           HN       GLU  20   1.330  -9.744   9.690
  183    HA   GLU  20           HA       GLU  20   0.143  -7.055   9.858
  184   1HB   GLU  20           2HB      GLU  20   1.941  -8.731  11.624
  185   2HB   GLU  20           3HB      GLU  20   1.495  -7.091  12.004
  186   1HG   GLU  20           2HG      GLU  20  -0.595  -9.195  11.388
  187   2HG   GLU  20           3HG      GLU  20   0.022  -8.975  13.015
  188    QB   GLU  20           QB       GLU  20   1.718  -7.911  11.815
  189    QG   GLU  20           QG       GLU  20  -0.287  -9.085  12.201
  190    H    ASN  21           HN       ASN  21   3.023  -8.650   8.798
  191    HA   ASN  21           HA       ASN  21   4.922  -6.496   8.961
  192   1HB   ASN  21           2HB      ASN  21   5.781  -8.698   8.383
  193   2HB   ASN  21           3HB      ASN  21   4.659  -8.854   7.040
  194   1HD2  ASN  21           2HD      ASN  21   6.799  -7.197   4.768
  195   2HD2  ASN  21           1HD      ASN  21   5.307  -7.991   4.997
  196    QB   ASN  21           QB       ASN  21   5.220  -8.776   7.711
  197    QD2  ASN  21           QD2      ASN  21   6.053  -7.594   4.883
  198    H    ASP  22           HN       ASP  22   2.990  -7.730   6.274
  199    HA   ASP  22           HA       ASP  22   3.473  -5.633   4.454
  200   1HB   ASP  22           2HB      ASP  22   1.286  -7.640   4.900
  201   2HB   ASP  22           3HB      ASP  22   1.031  -6.397   3.680
  202    QB   ASP  22           QB       ASP  22   1.158  -7.019   4.290
  203    H    ILE  23           HN       ILE  23   1.265  -5.822   7.180
  204    HA   ILE  23           HA       ILE  23   0.006  -3.282   6.534
  205    HB   ILE  23           HB       ILE  23   0.212  -4.771   9.193
  206   1HG1  ILE  23           2HG      ILE  23  -2.105  -4.300   7.283
  207   2HG1  ILE  23           3HG      ILE  23  -1.176  -5.792   7.384
  208   1HG2  ILE  23           3HG      ILE  23  -1.362  -2.252   8.508
  209   2HG2  ILE  23           1HG      ILE  23  -1.465  -3.125  10.031
  210   3HG2  ILE  23           2HG      ILE  23   0.027  -2.310   9.584
  211   1HD1  ILE  23           1HD      ILE  23  -1.843  -6.024   9.770
  212   2HD1  ILE  23           2HD      ILE  23  -2.830  -4.573   9.629
  213   3HD1  ILE  23           3HD      ILE  23  -3.234  -6.005   8.692
  214    QG1  ILE  23           QG1      ILE  23  -1.640  -5.046   7.334
  215    QG2  ILE  23           QG2      ILE  23  -0.933  -2.563   9.374
  216    QD1  ILE  23           QD1      ILE  23  -2.636  -5.534   9.364
  217    H    SER  24           HN       SER  24   2.072  -3.948   9.372
  218    HA   SER  24           HA       SER  24   3.091  -1.600  10.111
  219   1HB   SER  24           2HB      SER  24   4.821  -3.991   9.347
  220   2HB   SER  24           3HB      SER  24   5.334  -2.677  10.425
  221    HG   SER  24           HG       SER  24   3.411  -4.687  10.808
  222    QB   SER  24           QB       SER  24   5.077  -3.335   9.886
  223    H    GLU  25           HN       GLU  25   4.215  -3.180   7.186
  224    HA   GLU  25           HA       GLU  25   6.033  -1.088   6.381
  225   1HB   GLU  25           2HB      GLU  25   4.794  -3.467   4.985
  226   2HB   GLU  25           3HB      GLU  25   5.965  -2.424   4.195
  227   1HG   GLU  25           2HG      GLU  25   6.445  -3.960   6.781
  228   2HG   GLU  25           3HG      GLU  25   7.070  -4.408   5.198
  229    QB   GLU  25           QB       GLU  25   5.380  -2.946   4.590
  230    QG   GLU  25           QG       GLU  25   6.757  -4.184   5.989
  231    H    LEU  26           HN       LEU  26   2.961  -2.130   4.751
  232    HA   LEU  26           HA       LEU  26   2.965   0.078   2.995
  233   1HB   LEU  26           2HB      LEU  26   1.655  -2.016   2.651
  234   2HB   LEU  26           3HB      LEU  26   0.666  -1.614   4.058
  235    HG   LEU  26           HG       LEU  26   0.246   0.590   2.942
  236   1HD1  LEU  26           1HD      LEU  26   1.327  -0.900   0.542
  237   2HD1  LEU  26           2HD      LEU  26   0.474   0.638   0.450
  238   3HD1  LEU  26           3HD      LEU  26   2.028   0.544   1.269
  239   1HD2  LEU  26           2HD      LEU  26  -0.815  -1.901   1.594
  240   2HD2  LEU  26           3HD      LEU  26  -1.490  -1.126   3.025
  241   3HD2  LEU  26           1HD      LEU  26  -1.555  -0.305   1.470
  242    QB   LEU  26           QB       LEU  26   1.160  -1.815   3.355
  243    QD1  LEU  26           QD1      LEU  26   1.276   0.093   0.754
  244    QD2  LEU  26           QD2      LEU  26  -1.287  -1.110   2.029
  245    QQD  LEU  26           QQD      LEU  26  -0.005  -0.508   1.391
  246    H    HIS  27           HN       HIS  27   1.639  -0.565   6.081
  247    HA   HIS  27           HA       HIS  27   0.021   1.679   6.616
  248   1HB   HIS  27           2HB      HIS  27   0.524  -0.506   7.945
  249   2HB   HIS  27           3HB      HIS  27   1.835   0.386   8.653
  250    HD1  HIS  27           HD1      HIS  27   0.769   2.886   9.455
  251    HD2  HIS  27           HD2      HIS  27  -1.655  -0.438   9.652
  252    HE1  HIS  27           HE1      HIS  27  -1.091   3.418  11.057
  253    QB   HIS  27           QB       HIS  27   1.180  -0.060   8.299
  254    H    GLU  28           HN       GLU  28   3.449   1.225   6.677
  255    HA   GLU  28           HA       GLU  28   4.124   3.761   7.930
  256   1HB   GLU  28           2HB      GLU  28   5.609   1.723   7.910
  257   2HB   GLU  28           3HB      GLU  28   5.782   1.898   6.177
  258   1HG   GLU  28           2HG      GLU  28   6.503   4.406   6.983
  259   2HG   GLU  28           3HG      GLU  28   7.059   3.442   8.346
  260    QB   GLU  28           QB       GLU  28   5.696   1.810   7.043
  261    QG   GLU  28           QG       GLU  28   6.781   3.924   7.665
  262    H    LEU  29           HN       LEU  29   4.623   2.476   4.657
  263    HA   LEU  29           HA       LEU  29   5.381   4.662   3.217
  264   1HB   LEU  29           2HB      LEU  29   4.921   2.448   2.221
  265   2HB   LEU  29           3HB      LEU  29   3.197   2.698   2.420
  266    HG   LEU  29           HG       LEU  29   3.299   4.624   0.870
  267   1HD1  LEU  29           1HD      LEU  29   6.224   3.878   0.600
  268   2HD1  LEU  29           2HD      LEU  29   5.388   5.037  -0.422
  269   3HD1  LEU  29           3HD      LEU  29   5.605   5.368   1.290
  270   1HD2  LEU  29           1HD      LEU  29   2.870   2.363  -0.049
  271   2HD2  LEU  29           2HD      LEU  29   3.772   3.347  -1.193
  272   3HD2  LEU  29           3HD      LEU  29   4.601   2.116  -0.249
  273    QB   LEU  29           QB       LEU  29   4.059   2.573   2.321
  274    QD1  LEU  29           QD1      LEU  29   5.739   4.761   0.490
  275    QD2  LEU  29           QD2      LEU  29   3.748   2.609  -0.497
  276    QQD  LEU  29           QQD      LEU  29   4.743   3.685  -0.004
  277    H    ALA  30           HN       ALA  30   2.140   3.956   4.289
  278    HA   ALA  30           HA       ALA  30   0.471   5.764   3.174
  279   1HB   ALA  30           3HB      ALA  30  -0.199   4.297   5.022
  280   2HB   ALA  30           1HB      ALA  30   0.703   5.298   6.157
  281   3HB   ALA  30           2HB      ALA  30  -0.715   5.953   5.341
  282    QB   ALA  30           QB       ALA  30  -0.070   5.183   5.507
  283    H    SER  31           HN       SER  31   2.656   6.738   5.841
  284    HA   SER  31           HA       SER  31   1.841   9.573   5.452
  285   1HB   SER  31           2HB      SER  31   3.531   8.125   7.507
  286   2HB   SER  31           3HB      SER  31   3.576   9.892   7.384
  287    HG   SER  31           HG       SER  31   1.704   9.911   8.335
  288    QB   SER  31           QB       SER  31   3.554   9.009   7.446
  289    H    THR  32           HN       THR  32   3.286   8.267   3.354
  290    HA   THR  32           HA       THR  32   5.511  10.222   3.099
  291    HB   THR  32           HB       THR  32   5.818   7.182   2.879
  292    HG1  THR  32          1HG       THR  32   6.168   9.140   4.703
  293   1HG2  THR  32           1HG      THR  32   7.872   9.386   2.338
  294   2HG2  THR  32           2HG      THR  32   8.174   7.653   2.300
  295   3HG2  THR  32           3HG      THR  32   7.159   8.398   1.068
  296    QG2  THR  32           QG2      THR  32   7.735   8.479   1.902
  297    NH1  ARG  33           NH2      ARG  33  -1.564   7.518   1.458
  298    NH2  ARG  33           NH1      ARG  33  -2.549   5.897   0.252
  299    H    ARG  33           HN       ARG  33   3.578   7.682   1.702
  300    HA   ARG  33           HA       ARG  33   3.925   8.455  -1.055
  301   1HB   ARG  33           2HB      ARG  33   2.041   6.900  -1.445
  302   2HB   ARG  33           3HB      ARG  33   3.131   6.182  -0.271
  303   1HG   ARG  33           2HG      ARG  33   1.638   7.153   1.554
  304   2HG   ARG  33           3HG      ARG  33   0.514   7.613   0.293
  305   1HD   ARG  33           2HD      ARG  33   0.530   5.150  -0.430
  306   2HD   ARG  33           3HD      ARG  33   1.369   4.815   1.074
  307    HE   ARG  33           HE       ARG  33  -0.777   4.798   2.024
  308   1HH1  ARG  33           2HH      ARG  33  -0.821   7.815   2.068
  309   2HH1  ARG  33           1HH      ARG  33  -2.285   8.171   1.179
  310   1HH2  ARG  33           2HH      ARG  33  -2.565   4.949  -0.067
  311   2HH2  ARG  33           1HH      ARG  33  -3.275   6.526  -0.023
  312    QB   ARG  33           QB       ARG  33   2.586   6.541  -0.858
  313    QG   ARG  33           QG       ARG  33   1.076   7.383   0.923
  314    QD   ARG  33           QD       ARG  33   0.949   4.982   0.321
  315    QH1  ARG  33           QH2      ARG  33  -1.552   7.993   1.623
  316    QH2  ARG  33           QH1      ARG  33  -2.919   5.737  -0.045
  317    H    GLN  34           HN       GLN  34   2.296   9.498  -2.377
  318    HA   GLN  34           HA       GLN  34   0.565  11.395  -0.817
  319   1HB   GLN  34           2HB      GLN  34   2.517  12.317  -2.164
  320   2HB   GLN  34           3HB      GLN  34   1.757  11.688  -3.610
  321   1HG   GLN  34           2HG      GLN  34   1.138  13.998  -3.499
  322   2HG   GLN  34           3HG      GLN  34  -0.291  13.116  -2.993
  323   1HE2  GLN  34           2HE      GLN  34   1.479  15.657  -0.424
  324   2HE2  GLN  34           1HE      GLN  34   2.057  15.454  -2.004
  325    QB   GLN  34           QB       GLN  34   2.137  12.003  -2.887
  326    QG   GLN  34           QG       GLN  34   0.423  13.557  -3.246
  327    QE2  GLN  34           QE2      GLN  34   1.767  15.556  -1.213
  328    H    ILE  35           HN       ILE  35  -0.120   8.696  -1.466
  329    HA   ILE  35           HA       ILE  35  -2.193   9.080  -3.595
  330    HB   ILE  35           HB       ILE  35  -2.084   6.752  -4.108
  331   1HG1  ILE  35           2HG      ILE  35  -0.722   6.484  -1.419
  332   2HG1  ILE  35           3HG      ILE  35  -2.246   5.783  -1.929
  333   1HG2  ILE  35           3HG      ILE  35  -0.046   8.002  -4.810
  334   2HG2  ILE  35           1HG      ILE  35   0.740   7.518  -3.313
  335   3HG2  ILE  35           2HG      ILE  35   0.295   6.304  -4.510
  336   1HD1  ILE  35           3HD      ILE  35  -1.059   4.326  -3.539
  337   2HD1  ILE  35           1HD      ILE  35   0.479   5.001  -3.000
  338   3HD1  ILE  35           2HD      ILE  35  -0.501   4.060  -1.893
  339    QG1  ILE  35           QG1      ILE  35  -1.484   6.134  -1.674
  340    QG2  ILE  35           QG2      ILE  35   0.330   7.275  -4.211
  341    QD1  ILE  35           QD1      ILE  35  -0.360   4.462  -2.810
  342    H    ASP  36           HN       ASP  36  -3.984   7.384  -3.245
  343    HA   ASP  36           HA       ASP  36  -5.100   7.753  -0.495
  344   1HB   ASP  36           2HB      ASP  36  -7.274   7.762  -1.611
  345   2HB   ASP  36           3HB      ASP  36  -6.236   8.878  -2.498
  346    QB   ASP  36           QB       ASP  36  -6.755   8.319  -2.054
  347    H    PHE  37           HN       PHE  37  -6.898   5.972  -0.239
  348    HA   PHE  37           HA       PHE  37  -5.956   3.322  -1.223
  349   1HB   PHE  37           2HB      PHE  37  -6.544   4.136   1.668
  350   2HB   PHE  37           3HB      PHE  37  -6.524   2.466   1.139
  351    HD1  PHE  37          2HD       PHE  37  -4.133   3.167  -0.974
  352    HD2  PHE  37          1HD       PHE  37  -4.655   3.557   3.224
  353    HE1  PHE  37          2HE       PHE  37  -1.790   2.656  -0.648
  354    HE2  PHE  37          1HE       PHE  37  -2.268   3.088   3.548
  355    HZ   PHE  37           HZ       PHE  37  -0.839   2.601   1.617
  356    QB   PHE  37           QB       PHE  37  -6.534   3.302   1.403
  357    QR   PHE  37           QR       PHE  37  -3.212   3.117   1.288
  358    CH2  TRP  38           CH2      TRP  38 -11.307   4.084  -9.094
  359    H    TRP  38           HN       TRP  38  -7.606   4.418  -2.575
  360    HA   TRP  38           HA       TRP  38 -10.113   5.072  -2.540
  361   1HB   TRP  38           2HB      TRP  38  -8.626   4.181  -4.458
  362   2HB   TRP  38           3HB      TRP  38  -9.409   2.661  -4.186
  363    HD1  TRP  38           HD1      TRP  38 -12.140   5.051  -3.700
  364    HE1  TRP  38           HE1      TRP  38 -13.407   5.521  -5.819
  365    HE3  TRP  38           HE3      TRP  38  -8.939   2.986  -6.908
  366    HZ2  TRP  38           HZ2      TRP  38 -13.102   5.125  -8.572
  367    HZ3  TRP  38           HZ3      TRP  38  -9.460   3.026  -9.333
  368    HH2  TRP  38           HH2      TRP  38 -11.507   4.113 -10.156
  369    QB   TRP  38           QB       TRP  38  -9.018   3.421  -4.322
  370    H    LYS  39           HN       LYS  39  -9.551   1.591  -2.645
  371    HA   LYS  39           HA       LYS  39 -11.810   1.265  -0.709
  372   1HB   LYS  39           2HB      LYS  39 -11.720  -0.411  -3.225
  373   2HB   LYS  39           3HB      LYS  39 -12.995  -0.358  -2.024
  374   1HG   LYS  39           2HG      LYS  39 -14.026   1.118  -3.416
  375   2HG   LYS  39           3HG      LYS  39 -12.865   2.293  -2.827
  376   1HD   LYS  39           2HD      LYS  39 -12.805   2.286  -5.268
  377   2HD   LYS  39           3HD      LYS  39 -11.301   1.605  -4.663
  378   1HE   LYS  39           2HE      LYS  39 -12.954  -0.633  -4.830
  379   2HE   LYS  39           3HE      LYS  39 -13.450   0.317  -6.220
  380   1HZ   LYS  39           2HZ      LYS  39 -10.704   0.443  -6.187
  381   2HZ   LYS  39           3HZ      LYS  39 -11.050  -1.170  -5.811
  382   3HZ   LYS  39           1HZ      LYS  39 -11.667  -0.470  -7.247
  383    QB   LYS  39           QB       LYS  39 -12.357  -0.384  -2.625
  384    QG   LYS  39           QG       LYS  39 -13.446   1.705  -3.122
  385    QD   LYS  39           QD       LYS  39 -12.053   1.945  -4.965
  386    QE   LYS  39           QE       LYS  39 -13.203  -0.158  -5.524
  387    QZ   LYS  39           QZ       LYS  39 -11.140  -0.399  -6.416
  388    HA   PRO  40           HA       PRO  40 -11.700   0.648   1.145
  389   1HB   PRO  40           2HB      PRO  40 -12.454  -1.564   2.706
  390   2HB   PRO  40           3HB      PRO  40 -13.518  -0.650   1.639
  391   1HG   PRO  40           2HG      PRO  40 -12.807  -3.350   1.211
  392   2HG   PRO  40           3HG      PRO  40 -13.436  -2.270  -0.042
  393   1HD   PRO  40           2HD      PRO  40 -10.553  -2.964   0.590
  394   2HD   PRO  40           3HD      PRO  40 -11.269  -2.783  -1.006
  395    QB   PRO  40           QB       PRO  40 -12.987  -1.107   2.172
  396    QG   PRO  40           QG       PRO  40 -13.121  -2.810   0.585
  397    QD   PRO  40           QD       PRO  40 -10.911  -2.873  -0.208
  398    H    ASP  41           HN       ASP  41 -10.496   1.243   2.913
  399    HA   ASP  41           HA       ASP  41  -8.489  -0.393   3.891
  400   1HB   ASP  41           2HB      ASP  41  -7.120   0.478   2.176
  401   2HB   ASP  41           3HB      ASP  41  -7.972   2.021   2.198
  402    QB   ASP  41           QB       ASP  41  -7.546   1.250   2.187
  403    H    SER  42           HN       SER  42  -8.190   0.080   5.567
  404    HA   SER  42           HA       SER  42  -8.762   2.597   6.944
  405   1HB   SER  42           2HB      SER  42  -9.393  -0.191   8.056
  406   2HB   SER  42           3HB      SER  42  -9.758   1.345   8.861
  407    HG   SER  42           HG       SER  42 -10.577   1.488   6.326
  408    QB   SER  42           QB       SER  42  -9.575   0.576   8.459
  409    H    VAL  43           HN       VAL  43  -6.327   2.043   6.035
  410    HA   VAL  43           HA       VAL  43  -4.189   0.977   6.759
  411    HB   VAL  43           HB       VAL  43  -4.764   3.784   7.762
  412   1HG1  VAL  43           2HG      VAL  43  -2.053   2.398   7.597
  413   2HG1  VAL  43           3HG      VAL  43  -2.304   4.110   7.920
  414   3HG1  VAL  43           1HG      VAL  43  -2.851   2.911   9.078
  415   1HG2  VAL  43           2HG      VAL  43  -3.209   2.672   5.407
  416   2HG2  VAL  43           3HG      VAL  43  -4.807   3.395   5.335
  417   3HG2  VAL  43           1HG      VAL  43  -3.422   4.384   5.772
  418    QG1  VAL  43           QG1      VAL  43  -2.403   3.140   8.198
  419    QG2  VAL  43           QG2      VAL  43  -3.812   3.483   5.505
  420    QQG  VAL  43           QQG      VAL  43  -3.108   3.311   6.852
  421    H    THR  44           HN       THR  44  -5.455   2.745   9.537
  422    HA   THR  44           HA       THR  44  -3.894   1.299  11.468
  423    HB   THR  44           HB       THR  44  -5.478   2.542  13.087
  424    HG1  THR  44          1HG       THR  44  -7.230   3.321  12.139
  425   1HG2  THR  44           1HG      THR  44  -4.383   4.226  10.774
  426   2HG2  THR  44           2HG      THR  44  -4.735   4.806  12.399
  427   3HG2  THR  44           3HG      THR  44  -3.404   3.685  12.133
  428    QG2  THR  44           QG2      THR  44  -4.174   4.239  11.769
  429    H    GLN  45           HN       GLN  45  -7.366   1.295  10.764
  430    HA   GLN  45           HA       GLN  45  -7.668  -1.103  12.495
  431   1HB   GLN  45           2HB      GLN  45  -9.685   0.734  11.170
  432   2HB   GLN  45           3HB      GLN  45 -10.147  -0.737  12.014
  433   1HG   GLN  45           2HG      GLN  45  -9.091   0.088  14.084
  434   2HG   GLN  45           3HG      GLN  45  -8.543   1.537  13.248
  435   1HE2  GLN  45           2HE      GLN  45 -12.134   1.647  14.897
  436   2HE2  GLN  45           1HE      GLN  45 -10.883   0.598  15.358
  437    QB   GLN  45           QB       GLN  45  -9.916  -0.002  11.591
  438    QG   GLN  45           QG       GLN  45  -8.817   0.813  13.667
  439    QE2  GLN  45           QE2      GLN  45 -11.508   1.123  15.127
  440    H    ILE  46           HN       ILE  46  -6.181  -1.752  10.456
  441    HA   ILE  46           HA       ILE  46  -8.008  -3.257   8.613
  442    HB   ILE  46           HB       ILE  46  -5.709  -1.558   8.051
  443   1HG1  ILE  46           2HG      ILE  46  -7.607  -3.155   6.296
  444   2HG1  ILE  46           3HG      ILE  46  -7.845  -1.503   6.848
  445   1HG2  ILE  46           3HG      ILE  46  -4.393  -3.687   8.142
  446   2HG2  ILE  46           1HG      ILE  46  -5.479  -4.387   6.944
  447   3HG2  ILE  46           2HG      ILE  46  -4.457  -3.020   6.521
  448   1HD1  ILE  46           1HD      ILE  46  -5.755  -0.836   5.640
  449   2HD1  ILE  46           2HD      ILE  46  -5.614  -2.478   5.023
  450   3HD1  ILE  46           3HD      ILE  46  -6.976  -1.482   4.553
  451    QG1  ILE  46           QG1      ILE  46  -7.726  -2.329   6.572
  452    QG2  ILE  46           QG2      ILE  46  -4.776  -3.698   7.202
  453    QD1  ILE  46           QD1      ILE  46  -6.115  -1.599   5.072
  454    H    LYS  47           HN       LYS  47  -7.067  -5.440   8.046
  455    HA   LYS  47           HA       LYS  47  -5.241  -6.470  10.149
  456   1HB   LYS  47           2HB      LYS  47  -8.036  -7.451   9.519
  457   2HB   LYS  47           3HB      LYS  47  -6.842  -8.540  10.207
  458   1HG   LYS  47           2HG      LYS  47  -7.459  -5.850  11.469
  459   2HG   LYS  47           3HG      LYS  47  -8.375  -7.298  11.867
  460   1HD   LYS  47           2HD      LYS  47  -6.325  -8.438  12.612
  461   2HD   LYS  47           3HD      LYS  47  -5.340  -7.087  12.070
  462   1HE   LYS  47           2HE      LYS  47  -5.724  -7.036  14.522
  463   2HE   LYS  47           3HE      LYS  47  -6.353  -5.607  13.707
  464   1HZ   LYS  47           1HZ      LYS  47  -8.364  -7.560  13.720
  465   2HZ   LYS  47           2HZ      LYS  47  -7.751  -7.451  15.302
  466   3HZ   LYS  47           3HZ      LYS  47  -8.349  -6.059  14.527
  467    QB   LYS  47           QB       LYS  47  -7.439  -7.995   9.864
  468    QG   LYS  47           QG       LYS  47  -7.917  -6.574  11.668
  469    QD   LYS  47           QD       LYS  47  -5.832  -7.763  12.341
  470    QE   LYS  47           QE       LYS  47  -6.039  -6.321  14.114
  471    QZ   LYS  47           QZ       LYS  47  -8.155  -7.024  14.516
  472    HA   PRO  48           HA       PRO  48  -3.662  -9.429   7.020
  473   1HB   PRO  48           2HB      PRO  48  -4.535 -11.338   9.170
  474   2HB   PRO  48           3HB      PRO  48  -3.045 -11.330   8.219
  475   1HG   PRO  48           2HG      PRO  48  -3.101 -10.408  10.788
  476   2HG   PRO  48           3HG      PRO  48  -2.044  -9.687   9.573
  477   1HD   PRO  48           2HD      PRO  48  -4.524  -8.577  10.780
  478   2HD   PRO  48           3HD      PRO  48  -3.170  -7.730  10.005
  479    QB   PRO  48           QB       PRO  48  -3.790 -11.334   8.695
  480    QG   PRO  48           QG       PRO  48  -2.573 -10.048  10.181
  481    QD   PRO  48           QD       PRO  48  -3.847  -8.154  10.393
  482    H    HIS  49           HN       HIS  49  -4.623 -11.111   5.736
  483    HA   HIS  49           HA       HIS  49  -6.389 -12.184   4.593
  484   1HB   HIS  49           2HB      HIS  49  -8.249 -11.594   6.883
  485   2HB   HIS  49           3HB      HIS  49  -8.254 -12.956   5.801
  486    HD1  HIS  49           HD1      HIS  49  -5.781 -14.305   6.117
  487    HD2  HIS  49           HD2      HIS  49  -7.377 -12.406   9.397
  488    HE1  HIS  49           HE1      HIS  49  -4.708 -15.352   8.140
  489    QB   HIS  49           QB       HIS  49  -8.252 -12.274   6.342
  490    H    SER  50           HN       SER  50  -5.849  -9.410   4.358
  491    HA   SER  50           HA       SER  50  -8.538  -8.439   3.515
  492   1HB   SER  50           2HB      SER  50  -7.979  -7.239   5.597
  493   2HB   SER  50           3HB      SER  50  -6.419  -6.753   4.903
  494    HG   SER  50           HG       SER  50  -8.570  -5.427   4.584
  495    QB   SER  50           QB       SER  50  -7.199  -6.997   5.250
  496    H    THR  51           HN       THR  51  -8.435  -6.779   1.845
  497    HA   THR  51           HA       THR  51  -5.914  -6.514   0.351
  498    HB   THR  51           HB       THR  51  -7.182  -7.352  -1.782
  499    HG1  THR  51          1HG       THR  51  -9.137  -7.310  -0.238
  500   1HG2  THR  51           2HG      THR  51  -5.458  -8.803  -0.526
  501   2HG2  THR  51           3HG      THR  51  -6.800  -9.446   0.406
  502   3HG2  THR  51           1HG      THR  51  -6.729  -9.717  -1.329
  503    QG2  THR  51           QG2      THR  51  -6.329  -9.322  -0.483
  504    H    VAL  52           HN       VAL  52  -5.829  -4.489  -0.572
  505    HA   VAL  52           HA       VAL  52  -8.399  -3.115  -1.193
  506    HB   VAL  52           HB       VAL  52  -7.588  -1.072  -0.091
  507   1HG1  VAL  52           2HG      VAL  52  -8.737  -2.865   1.287
  508   2HG1  VAL  52           3HG      VAL  52  -7.151  -3.438   1.764
  509   3HG1  VAL  52           1HG      VAL  52  -7.673  -1.825   2.223
  510   1HG2  VAL  52           1HG      VAL  52  -5.164  -1.472  -0.490
  511   2HG2  VAL  52           2HG      VAL  52  -5.517  -1.068   1.190
  512   3HG2  VAL  52           3HG      VAL  52  -5.204  -2.742   0.728
  513    QG1  VAL  52           QG1      VAL  52  -7.854  -2.709   1.758
  514    QG2  VAL  52           QG2      VAL  52  -5.295  -1.761   0.476
  515    QQG  VAL  52           QQG      VAL  52  -6.574  -2.235   1.117
  516    H    ASP  53           HN       ASP  53  -7.973  -1.039  -2.487
  517    HA   ASP  53           HA       ASP  53  -5.631  -1.346  -4.324
  518   1HB   ASP  53           2HB      ASP  53  -7.075  -0.706  -6.216
  519   2HB   ASP  53           3HB      ASP  53  -7.683  -2.173  -5.460
  520    QB   ASP  53           QB       ASP  53  -7.380  -1.439  -5.838
  521    H    PHE  54           HN       PHE  54  -5.183   0.628  -5.575
  522    HA   PHE  54           HA       PHE  54  -6.007   3.126  -4.111
  523   1HB   PHE  54           2HB      PHE  54  -3.287   2.963  -5.384
  524   2HB   PHE  54           3HB      PHE  54  -3.815   3.928  -4.016
  525    HD1  PHE  54          2HD       PHE  54  -5.037   1.748  -2.288
  526    HD2  PHE  54          1HD       PHE  54  -1.407   1.850  -4.501
  527    HE1  PHE  54          2HE       PHE  54  -4.050   0.152  -0.732
  528    HE2  PHE  54          1HE       PHE  54  -0.391   0.306  -2.892
  529    HZ   PHE  54           HZ       PHE  54  -1.721  -0.574  -1.019
  530    QB   PHE  54           QB       PHE  54  -3.551   3.446  -4.700
  531    QR   PHE  54           QR       PHE  54  -2.721   1.014  -2.603
  532    NH1  ARG  55           NH1      ARG  55  -9.093   8.303  -3.901
  533    NH2  ARG  55           NH2      ARG  55  -8.805  10.086  -5.310
  534    H    ARG  55           HN       ARG  55  -5.179   5.100  -5.632
  535    HA   ARG  55           HA       ARG  55  -6.220   4.431  -8.367
  536   1HB   ARG  55           2HB      ARG  55  -6.101   7.059  -6.878
  537   2HB   ARG  55           3HB      ARG  55  -6.654   6.896  -8.533
  538   1HG   ARG  55           2HG      ARG  55  -8.479   5.439  -7.841
  539   2HG   ARG  55           3HG      ARG  55  -7.901   5.445  -6.173
  540   1HD   ARG  55           2HD      ARG  55  -8.803   7.894  -7.741
  541   2HD   ARG  55           3HD      ARG  55  -9.729   7.084  -6.475
  542    HE   ARG  55           HE       ARG  55  -7.009   7.941  -5.675
  543   1HH1  ARG  55           2HH      ARG  55  -8.904   7.330  -3.719
  544   2HH1  ARG  55           1HH      ARG  55  -9.621   8.835  -3.247
  545   1HH2  ARG  55           2HH      ARG  55  -8.438  10.423  -6.180
  546   2HH2  ARG  55           1HH      ARG  55  -9.303  10.709  -4.708
  547    QB   ARG  55           QB       ARG  55  -6.378   6.977  -7.705
  548    QG   ARG  55           QG       ARG  55  -8.190   5.442  -7.007
  549    QD   ARG  55           QD       ARG  55  -9.266   7.489  -7.108
  550    QH1  ARG  55           QH1      ARG  55  -9.262   8.083  -3.483
  551    QH2  ARG  55           QH2      ARG  55  -8.870  10.567  -5.443
  552    H    VAL  56           HN       VAL  56  -5.238   5.457 -10.187
  553    HA   VAL  56           HA       VAL  56  -2.497   5.333 -10.379
  554    HB   VAL  56           HB       VAL  56  -2.726   6.199 -12.532
  555   1HG1  VAL  56           3HG      VAL  56  -4.359   4.334 -12.187
  556   2HG1  VAL  56           1HG      VAL  56  -5.607   5.523 -11.857
  557   3HG1  VAL  56           2HG      VAL  56  -4.864   5.449 -13.444
  558   1HG2  VAL  56           2HG      VAL  56  -4.999   7.948 -11.544
  559   2HG2  VAL  56           3HG      VAL  56  -3.374   8.491 -11.953
  560   3HG2  VAL  56           1HG      VAL  56  -4.435   7.874 -13.211
  561    QG1  VAL  56           QG1      VAL  56  -4.944   5.102 -12.496
  562    QG2  VAL  56           QG2      VAL  56  -4.269   8.105 -12.236
  563    QQG  VAL  56           QQG      VAL  56  -4.606   6.603 -12.366
  564    H    LYS  57           HN       LYS  57  -0.870   6.890 -10.623
  565    HA   LYS  57           HA       LYS  57  -1.203   9.623  -9.727
  566   1HB   LYS  57           2HB      LYS  57  -1.093   7.985  -7.635
  567   2HB   LYS  57           3HB      LYS  57   0.614   7.872  -8.047
  568   1HG   LYS  57           2HG      LYS  57   0.267   9.619  -6.375
  569   2HG   LYS  57           3HG      LYS  57   0.814  10.320  -7.895
  570   1HD   LYS  57           2HD      LYS  57  -1.302  11.233  -8.394
  571   2HD   LYS  57           3HD      LYS  57  -2.143  10.107  -7.333
  572   1HE   LYS  57           2HE      LYS  57  -1.822  12.567  -6.534
  573   2HE   LYS  57           3HE      LYS  57  -1.510  11.268  -5.395
  574   1HZ   LYS  57           1HZ      LYS  57   0.842  11.769  -6.859
  575   2HZ   LYS  57           2HZ      LYS  57   0.263  13.243  -6.305
  576   3HZ   LYS  57           3HZ      LYS  57   0.573  11.962  -5.210
  577    QB   LYS  57           QB       LYS  57  -0.239   7.928  -7.841
  578    QG   LYS  57           QG       LYS  57   0.540   9.969  -7.135
  579    QD   LYS  57           QD       LYS  57  -1.723  10.671  -7.863
  580    QE   LYS  57           QE       LYS  57  -1.667  11.918  -5.965
  581    QZ   LYS  57           QZ       LYS  57   0.560  12.325  -6.125
  582    H    ALA  58           HN       ALA  58   1.146  10.640  -9.760
  583    HA   ALA  58           HA       ALA  58   2.900   9.045 -11.596
  584   1HB   ALA  58           3HB      ALA  58   2.132  11.965 -11.925
  585   2HB   ALA  58           1HB      ALA  58   3.296  11.097 -12.923
  586   3HB   ALA  58           2HB      ALA  58   1.602  10.630 -12.940
  587    QB   ALA  58           QB       ALA  58   2.343  11.231 -12.596
  588    H    GLU  59           HN       GLU  59   2.991  12.248 -10.232
  589    HA   GLU  59           HA       GLU  59   5.602  12.753  -9.805
  590   1HB   GLU  59           2HB      GLU  59   3.822  13.234  -7.432
  591   2HB   GLU  59           3HB      GLU  59   4.960  14.326  -8.205
  592   1HG   GLU  59           2HG      GLU  59   2.976  15.253  -8.983
  593   2HG   GLU  59           3HG      GLU  59   3.224  14.071 -10.261
  594    QB   GLU  59           QB       GLU  59   4.392  13.779  -7.818
  595    QG   GLU  59           QG       GLU  59   3.100  14.662  -9.621
  596    H    ASP  60           HN       ASP  60   3.700  10.726  -7.596
  597    HA   ASP  60           HA       ASP  60   6.235  10.009  -6.214
  598   1HB   ASP  60           2HB      ASP  60   4.660   9.210  -4.384
  599   2HB   ASP  60           3HB      ASP  60   4.705  10.935  -4.678
  600    QB   ASP  60           QB       ASP  60   4.683  10.072  -4.531
  601    H    ILE  61           HN       ILE  61   5.171   8.675  -8.750
  602    HA   ILE  61           HA       ILE  61   4.404   5.992  -8.027
  603    HB   ILE  61           HB       ILE  61   5.808   7.068 -10.513
  604   1HG1  ILE  61           2HG      ILE  61   2.991   6.024 -10.051
  605   2HG1  ILE  61           3HG      ILE  61   3.431   7.719 -10.145
  606   1HG2  ILE  61           1HG      ILE  61   6.416   4.653 -10.126
  607   2HG2  ILE  61           2HG      ILE  61   4.702   4.265 -10.049
  608   3HG2  ILE  61           3HG      ILE  61   5.407   4.860 -11.545
  609   1HD1  ILE  61           3HD      ILE  61   4.297   7.363 -12.461
  610   2HD1  ILE  61           1HD      ILE  61   3.826   5.668 -12.374
  611   3HD1  ILE  61           2HD      ILE  61   2.601   6.922 -12.338
  612    QG1  ILE  61           QG1      ILE  61   3.210   6.871 -10.098
  613    QG2  ILE  61           QG2      ILE  61   5.508   4.593 -10.573
  614    QD1  ILE  61           QD1      ILE  61   3.574   6.651 -12.391
  615    H    LEU  62           HN       LEU  62   7.490   7.554  -8.658
  616    HA   LEU  62           HA       LEU  62   9.024   5.125  -8.116
  617   1HB   LEU  62           2HB      LEU  62   9.804   8.026  -8.533
  618   2HB   LEU  62           3HB      LEU  62  10.972   6.726  -8.356
  619    HG   LEU  62           HG       LEU  62   8.775   6.509 -10.425
  620   1HD1  LEU  62           1HD      LEU  62  11.465   7.885 -10.779
  621   2HD1  LEU  62           2HD      LEU  62  10.328   7.521 -12.072
  622   3HD1  LEU  62           3HD      LEU  62   9.897   8.683 -10.823
  623   1HD2  LEU  62           1HD      LEU  62  10.167   4.526  -9.856
  624   2HD2  LEU  62           2HD      LEU  62  10.470   5.057 -11.504
  625   3HD2  LEU  62           3HD      LEU  62  11.624   5.442 -10.228
  626    QB   LEU  62           QB       LEU  62  10.389   7.376  -8.445
  627    QD1  LEU  62           QD1      LEU  62  10.564   8.030 -11.224
  628    QD2  LEU  62           QD2      LEU  62  10.754   5.008 -10.529
  629    QQD  LEU  62           QQD      LEU  62  10.659   6.519 -10.877
  630    H    ALA  63           HN       ALA  63   7.329   6.029  -6.027
  631    HA   ALA  63           HA       ALA  63   9.277   6.189  -3.832
  632   1HB   ALA  63           1HB      ALA  63   8.112   8.362  -4.294
  633   2HB   ALA  63           2HB      ALA  63   6.566   7.543  -4.132
  634   3HB   ALA  63           3HB      ALA  63   7.625   7.696  -2.734
  635    QB   ALA  63           QB       ALA  63   7.435   7.867  -3.720
  636    H    VAL  64           HN       VAL  64   5.973   5.677  -4.792
  637    HA   VAL  64           HA       VAL  64   5.393   3.796  -2.658
  638    HB   VAL  64           HB       VAL  64   3.951   4.576  -5.239
  639   1HG1  VAL  64           3HG      VAL  64   3.281   2.290  -4.570
  640   2HG1  VAL  64           1HG      VAL  64   2.878   2.868  -2.957
  641   3HG1  VAL  64           2HG      VAL  64   1.966   3.429  -4.350
  642   1HG2  VAL  64           1HG      VAL  64   4.120   6.352  -3.539
  643   2HG2  VAL  64           2HG      VAL  64   2.456   5.812  -3.707
  644   3HG2  VAL  64           3HG      VAL  64   3.419   5.281  -2.329
  645    QG1  VAL  64           QG1      VAL  64   2.708   2.862  -3.959
  646    QG2  VAL  64           QG2      VAL  64   3.331   5.816  -3.192
  647    QQG  VAL  64           QQG      VAL  64   3.020   4.338  -3.575
  648    H    GLU  65           HN       GLU  65   6.022   3.607  -6.175
  649    HA   GLU  65           HA       GLU  65   5.862   0.716  -6.243
  650   1HB   GLU  65           2HB      GLU  65   7.190   2.732  -8.095
  651   2HB   GLU  65           3HB      GLU  65   7.242   1.007  -8.394
  652   1HG   GLU  65           2HG      GLU  65   4.671   1.049  -8.242
  653   2HG   GLU  65           3HG      GLU  65   4.803   2.799  -8.348
  654    QB   GLU  65           QB       GLU  65   7.216   1.869  -8.244
  655    QG   GLU  65           QG       GLU  65   4.737   1.924  -8.294
  656    H    ASP  66           HN       ASP  66   8.381   3.096  -5.648
  657    HA   ASP  66           HA       ASP  66  10.624   1.302  -5.534
  658   1HB   ASP  66           2HB      ASP  66  10.768   3.807  -5.675
  659   2HB   ASP  66           3HB      ASP  66  10.146   3.921  -4.044
  660    QB   ASP  66           QB       ASP  66  10.458   3.865  -4.859
  661    H    PHE  67           HN       PHE  67   8.973   2.900  -2.873
  662    HA   PHE  67           HA       PHE  67   9.873   1.523  -0.651
  663   1HB   PHE  67           2HB      PHE  67   8.214   3.410  -0.626
  664   2HB   PHE  67           3HB      PHE  67   6.979   2.294  -1.173
  665    HD1  PHE  67          1HD       PHE  67   6.191   0.454   0.289
  666    HD2  PHE  67          2HD       PHE  67   9.062   3.277   1.683
  667    HE1  PHE  67          1HE       PHE  67   5.851  -0.335   2.582
  668    HE2  PHE  67          2HE       PHE  67   8.714   2.474   3.981
  669    HZ   PHE  67           HZ       PHE  67   7.106   0.671   4.438
  670    QB   PHE  67           QB       PHE  67   7.597   2.852  -0.899
  671    QR   PHE  67           QR       PHE  67   7.455   1.468   2.134
  672    H    LEU  68           HN       LEU  68   6.945   0.633  -2.426
  673    HA   LEU  68           HA       LEU  68   6.425  -1.772  -1.021
  674   1HB   LEU  68           2HB      LEU  68   5.802  -1.025  -3.898
  675   2HB   LEU  68           3HB      LEU  68   5.054  -2.350  -3.020
  676    HG   LEU  68           HG       LEU  68   4.943   0.549  -2.095
  677   1HD1  LEU  68           1HD      LEU  68   3.764   0.222  -4.254
  678   2HD1  LEU  68           2HD      LEU  68   2.859  -1.108  -3.550
  679   3HD1  LEU  68           3HD      LEU  68   2.623   0.526  -2.944
  680   1HD2  LEU  68           3HD      LEU  68   3.395  -1.923  -1.237
  681   2HD2  LEU  68           1HD      LEU  68   4.647  -1.124  -0.295
  682   3HD2  LEU  68           2HD      LEU  68   3.139  -0.291  -0.632
  683    QB   LEU  68           QB       LEU  68   5.427  -1.687  -3.458
  684    QD1  LEU  68           QD1      LEU  68   3.082  -0.120  -3.583
  685    QD2  LEU  68           QD2      LEU  68   3.727  -1.113  -0.721
  686    QQD  LEU  68           QQD      LEU  68   3.404  -0.616  -2.152
  687    H    GLU  69           HN       GLU  69   8.631  -1.112  -3.661
  688    HA   GLU  69           HA       GLU  69   9.093  -3.955  -4.206
  689   1HB   GLU  69           2HB      GLU  69   9.376  -1.849  -5.756
  690   2HB   GLU  69           3HB      GLU  69  10.946  -1.700  -4.996
  691   1HG   GLU  69           2HG      GLU  69  11.751  -3.647  -5.970
  692   2HG   GLU  69           3HG      GLU  69  10.156  -4.382  -6.088
  693    QB   GLU  69           QB       GLU  69  10.161  -1.774  -5.375
  694    QG   GLU  69           QG       GLU  69  10.953  -4.015  -6.029
  695    H    GLN  70           HN       GLN  70  11.127  -1.359  -2.913
  696    HA   GLN  70           HA       GLN  70  13.378  -2.591  -2.053
  697   1HB   GLN  70           2HB      GLN  70  11.668  -0.631  -0.499
  698   2HB   GLN  70           3HB      GLN  70  13.261  -1.127   0.051
  699   1HG   GLN  70           2HG      GLN  70  14.212  -0.346  -2.149
  700   2HG   GLN  70           3HG      GLN  70  12.618   0.269  -2.572
  701   1HE2  GLN  70           2HE      GLN  70  13.402   3.295  -0.922
  702   2HE2  GLN  70           1HE      GLN  70  12.758   2.531  -2.292
  703    QB   GLN  70           QB       GLN  70  12.465  -0.879  -0.224
  704    QG   GLN  70           QG       GLN  70  13.415  -0.039  -2.360
  705    QE2  GLN  70           QE2      GLN  70  13.081   2.913  -1.607
  706    H    ASN  71           HN       ASN  71  10.338  -2.759  -0.191
  707    HA   ASN  71           HA       ASN  71  11.621  -4.816   1.554
  708   1HB   ASN  71           2HB      ASN  71   9.496  -4.355   2.969
  709   2HB   ASN  71           3HB      ASN  71  10.716  -3.090   2.896
  710   1HD2  ASN  71           2HD      ASN  71   8.313  -0.844   1.706
  711   2HD2  ASN  71           1HD      ASN  71   9.547  -1.147   2.822
  712    QB   ASN  71           QB       ASN  71  10.106  -3.723   2.932
  713    QD2  ASN  71           QD2      ASN  71   8.930  -0.995   2.264
  714    H    GLU  72           HN       GLU  72  10.826  -5.614  -1.048
  715    HA   GLU  72           HA       GLU  72   9.249  -7.016  -2.193
  716   1HB   GLU  72           2HB      GLU  72   9.434  -9.312  -1.174
  717   2HB   GLU  72           3HB      GLU  72  10.984  -8.498  -1.327
  718   1HG   GLU  72           2HG      GLU  72  10.948  -7.883   1.043
  719   2HG   GLU  72           3HG      GLU  72   9.313  -8.505   1.222
  720    QB   GLU  72           QB       GLU  72  10.209  -8.905  -1.251
  721    QG   GLU  72           QG       GLU  72  10.131  -8.194   1.132
  722    H    LEU  73           HN       LEU  73   7.603  -5.280  -0.900
  723    HA   LEU  73           HA       LEU  73   5.821  -6.682   0.910
  724   1HB   LEU  73           2HB      LEU  73   6.227  -4.002   0.193
  725   2HB   LEU  73           3HB      LEU  73   4.635  -4.369  -0.458
  726    HG   LEU  73           HG       LEU  73   4.112  -5.435   1.826
  727   1HD1  LEU  73           3HD      LEU  73   6.528  -5.567   2.511
  728   2HD1  LEU  73           1HD      LEU  73   6.561  -3.815   2.630
  729   3HD1  LEU  73           2HD      LEU  73   5.527  -4.758   3.697
  730   1HD2  LEU  73           3HD      LEU  73   3.226  -3.227   1.114
  731   2HD2  LEU  73           1HD      LEU  73   3.580  -3.241   2.842
  732   3HD2  LEU  73           2HD      LEU  73   4.686  -2.453   1.722
  733    QB   LEU  73           QB       LEU  73   5.431  -4.185  -0.133
  734    QD1  LEU  73           QD1      LEU  73   6.206  -4.713   2.946
  735    QD2  LEU  73           QD2      LEU  73   3.831  -2.974   1.893
  736    QQD  LEU  73           QQD      LEU  73   5.018  -3.843   2.420
  737    H    GLN  74           HN       GLN  74   3.482  -6.962   0.415
  738    HA   GLN  74           HA       GLN  74   3.266  -8.446  -2.110
  739   1HB   GLN  74           2HB      GLN  74   1.411  -8.041   0.258
  740   2HB   GLN  74           3HB      GLN  74   0.873  -8.846  -1.199
  741   1HG   GLN  74           2HG      GLN  74   1.907 -10.233   0.834
  742   2HG   GLN  74           3HG      GLN  74   2.160 -10.723  -0.834
  743   1HE2  GLN  74           2HE      GLN  74   5.334  -9.275   1.298
  744   2HE2  GLN  74           1HE      GLN  74   3.756  -9.119   1.946
  745    QB   GLN  74           QB       GLN  74   1.142  -8.444  -0.470
  746    QG   GLN  74           QG       GLN  74   2.034 -10.478   0.000
  747    QE2  GLN  74           QE2      GLN  74   4.545  -9.196   1.622
  748    OH   TYR  75           OH       TYR  75   7.930  -4.748  -6.560
  749    H    TYR  75           HN       TYR  75   3.661  -6.258  -3.184
  750    HA   TYR  75           HA       TYR  75   1.074  -4.812  -3.534
  751   1HB   TYR  75           2HB      TYR  75   2.348  -3.033  -4.629
  752   2HB   TYR  75           3HB      TYR  75   3.065  -3.383  -3.063
  753    HD1  TYR  75           HD1      TYR  75   5.169  -4.842  -2.994
  754    HD2  TYR  75           HD2      TYR  75   3.649  -3.248  -6.633
  755    HE1  TYR  75           HE1      TYR  75   7.309  -5.278  -4.075
  756    HE2  TYR  75           HE2      TYR  75   5.824  -3.642  -7.704
  757    HH   TYR  75           HH       TYR  75   8.246  -3.936  -7.004
  758    QB   TYR  75           QB       TYR  75   2.706  -3.207  -3.846
  759    QR   TYR  75           QR       TYR  75   5.488  -4.253  -5.352
  760    H    GLU  76           HN       GLU  76   0.428  -4.302  -5.714
  761    HA   GLU  76           HA       GLU  76   1.543  -5.905  -7.899
  762   1HB   GLU  76           2HB      GLU  76   0.103  -7.501  -6.707
  763   2HB   GLU  76           3HB      GLU  76  -1.230  -6.371  -6.735
  764   1HG   GLU  76           2HG      GLU  76  -0.209  -6.934  -9.443
  765   2HG   GLU  76           3HG      GLU  76  -0.720  -8.387  -8.612
  766    QB   GLU  76           QB       GLU  76  -0.564  -6.935  -6.720
  767    QG   GLU  76           QG       GLU  76  -0.464  -7.660  -9.028
  768    H    VAL  77           HN       VAL  77   0.298  -5.359  -9.937
  769    HA   VAL  77           HA       VAL  77  -0.756  -2.561  -9.849
  770    HB   VAL  77           HB       VAL  77   0.774  -3.838 -12.140
  771   1HG1  VAL  77           3HG      VAL  77  -0.714  -1.930 -12.715
  772   2HG1  VAL  77           1HG      VAL  77   0.100  -0.943 -11.505
  773   3HG1  VAL  77           2HG      VAL  77   0.985  -1.509 -12.922
  774   1HG2  VAL  77           3HG      VAL  77   1.816  -1.974  -9.982
  775   2HG2  VAL  77           1HG      VAL  77   2.263  -3.667 -10.173
  776   3HG2  VAL  77           2HG      VAL  77   2.716  -2.490 -11.401
  777    QG1  VAL  77           QG1      VAL  77   0.124  -1.461 -12.381
  778    QG2  VAL  77           QG2      VAL  77   2.265  -2.710 -10.519
  779    QQG  VAL  77           QQG      VAL  77   1.195  -2.086 -11.450
  780    H    LEU  78           HN       LEU  78  -2.594  -4.195  -9.438
  781    HA   LEU  78           HA       LEU  78  -4.230  -5.723 -10.349
  782   1HB   LEU  78           2HB      LEU  78  -4.813  -2.813 -10.825
  783   2HB   LEU  78           3HB      LEU  78  -6.044  -4.046 -11.074
  784    HG   LEU  78           HG       LEU  78  -4.466  -3.795  -8.492
  785   1HD1  LEU  78           3HD      LEU  78  -7.192  -2.646  -9.187
  786   2HD1  LEU  78           1HD      LEU  78  -6.466  -2.656  -7.582
  787   3HD1  LEU  78           2HD      LEU  78  -5.726  -1.725  -8.871
  788   1HD2  LEU  78           3HD      LEU  78  -7.076  -5.191  -9.217
  789   2HD2  LEU  78           1HD      LEU  78  -5.544  -5.989  -8.876
  790   3HD2  LEU  78           2HD      LEU  78  -6.389  -5.124  -7.603
  791    QB   LEU  78           QB       LEU  78  -5.428  -3.430 -10.949
  792    QD1  LEU  78           QD1      LEU  78  -6.462  -2.342  -8.547
  793    QD2  LEU  78           QD2      LEU  78  -6.336  -5.435  -8.565
  794    QQD  LEU  78           QQD      LEU  78  -6.398  -3.889  -8.556
  795    H    ILE  79           HN       ILE  79  -3.904  -3.265 -12.944
  796    HA   ILE  79           HA       ILE  79  -4.835  -5.333 -14.796
  797    HB   ILE  79           HB       ILE  79  -4.788  -3.374 -16.366
  798   1HG1  ILE  79           2HG      ILE  79  -4.250  -1.681 -13.930
  799   2HG1  ILE  79           3HG      ILE  79  -2.955  -2.181 -15.010
  800   1HG2  ILE  79           1HG      ILE  79  -6.280  -3.013 -13.748
  801   2HG2  ILE  79           2HG      ILE  79  -6.727  -2.253 -15.273
  802   3HG2  ILE  79           3HG      ILE  79  -6.817  -4.000 -15.101
  803   1HD1  ILE  79           3HD      ILE  79  -5.441  -0.638 -15.844
  804   2HD1  ILE  79           1HD      ILE  79  -3.836   0.043 -15.635
  805   3HD1  ILE  79           2HD      ILE  79  -4.130  -1.124 -16.915
  806    QG1  ILE  79           QG1      ILE  79  -3.602  -1.930 -14.470
  807    QG2  ILE  79           QG2      ILE  79  -6.608  -3.089 -14.707
  808    QD1  ILE  79           QD1      ILE  79  -4.469  -0.573 -16.132
  809    H    ASN  80           HN       ASN  80  -2.299  -5.854 -13.667
  810    HA   ASN  80           HA       ASN  80  -0.575  -5.633 -16.114
  811   1HB   ASN  80           2HB      ASN  80   0.094  -4.089 -14.186
  812   2HB   ASN  80           3HB      ASN  80   0.456  -5.541 -13.269
  813   1HD2  ASN  80           2HD      ASN  80   2.946  -6.045 -16.262
  814   2HD2  ASN  80           1HD      ASN  80   1.378  -6.681 -16.145
  815    QB   ASN  80           QB       ASN  80   0.275  -4.815 -13.727
  816    QD2  ASN  80           QD2      ASN  80   2.162  -6.364 -16.203
  817    H    ASN  81           HN       ASN  81  -1.037  -7.725 -16.781
  818    HA   ASN  81           HA       ASN  81  -0.074  -9.887 -14.954
  819   1HB   ASN  81           2HB      ASN  81  -2.695  -9.589 -15.717
  820   2HB   ASN  81           3HB      ASN  81  -2.091 -10.626 -17.006
  821   1HD2  ASN  81                 ASN  81  -1.177 -13.256 -14.652
  822   2HD2  ASN  81           1HD      ASN  81  -0.497 -12.435 -15.980
  823    QB   ASN  81           QB       ASN  81  -2.393 -10.107 -16.361
  824    QD2  ASN  81           QD2      ASN  81  -0.837 -12.845 -15.315
   
  Start of MODEL           3
 Raw file had 824 H/Q atoms
  Start of MODEL    3
    1   1H    HIS   1           HN3      HIS   1   5.996   5.680 -30.819
    2   2H    HIS   1           HN1      HIS   1   7.465   5.659 -31.584
    3   3H    HIS   1           HN2      HIS   1   6.098   5.211 -32.403
    4    HA   HIS   1           HA       HIS   1   6.315   3.120 -31.794
    5   1HB   HIS   1           2HB      HIS   1   8.377   2.516 -30.455
    6   2HB   HIS   1           3HB      HIS   1   8.688   3.385 -31.931
    7    HD1  HIS   1           HD1      HIS   1   9.946   5.518 -31.701
    8    HD2  HIS   1           HD2      HIS   1   8.631   4.210 -28.016
    9    HE1  HIS   1           HE1      HIS   1  10.863   7.123 -29.998
   10    QB   HIS   1           QB       HIS   1   8.533   2.950 -31.193
   11    H    HIS   2           HN       HIS   2   6.684   1.734 -29.547
   12    HA   HIS   2           HA       HIS   2   4.898   3.092 -27.558
   13   1HB   HIS   2           2HB      HIS   2   5.244   0.136 -28.132
   14   2HB   HIS   2           3HB      HIS   2   4.142   0.821 -26.966
   15    HD1  HIS   2           HD1      HIS   2   3.035  -0.864 -29.142
   16    HD2  HIS   2           HD2      HIS   2   3.329   3.215 -29.578
   17    HE1  HIS   2           HE1      HIS   2   1.343  -0.208 -30.894
   18    QB   HIS   2           QB       HIS   2   4.693   0.478 -27.548
   19    H    SER   3           HN       SER   3   5.176   2.158 -25.320
   20    HA   SER   3           HA       SER   3   8.086   1.786 -24.734
   21   1HB   SER   3           2HB      SER   3   7.344   2.763 -22.445
   22   2HB   SER   3           3HB      SER   3   7.260   3.890 -23.815
   23    HG   SER   3           HG       SER   3   5.254   3.810 -22.662
   24    QB   SER   3           QB       SER   3   7.302   3.327 -23.130
   25    H    GLY   4           HN       GLY   4   5.027   1.263 -23.115
   26   1HA   GLY   4           1HA      GLY   4   4.316  -1.238 -22.915
   27   2HA   GLY   4           2HA      GLY   4   5.924  -1.450 -22.215
   28    QA   GLY   4           QA       GLY   4   5.120  -1.344 -22.565
   29    H    GLU   5           HN       GLU   5   3.795   1.279 -21.871
   30    HA   GLU   5           HA       GLU   5   3.394   0.708 -18.968
   31   1HB   GLU   5           2HB      GLU   5   5.033   2.731 -20.024
   32   2HB   GLU   5           3HB      GLU   5   3.539   3.579 -19.683
   33   1HG   GLU   5           2HG      GLU   5   5.158   1.909 -17.721
   34   2HG   GLU   5           3HG      GLU   5   5.038   3.660 -17.729
   35    QB   GLU   5           QB       GLU   5   4.286   3.155 -19.854
   36    QG   GLU   5           QG       GLU   5   5.097   2.784 -17.724
   37    H    HIS   6           HN       HIS   6   1.933   3.256 -18.769
   38    HA   HIS   6           HA       HIS   6  -0.571   2.439 -20.181
   39   1HB   HIS   6           2HB      HIS   6  -0.188   4.161 -17.709
   40   2HB   HIS   6           3HB      HIS   6  -1.727   3.698 -18.395
   41    HD1  HIS   6           HD1      HIS   6   1.315   1.923 -17.096
   42    HD2  HIS   6           HD2      HIS   6  -2.778   1.451 -17.119
   43    HE1  HIS   6           HE1      HIS   6   0.834  -0.218 -15.868
   44    QB   HIS   6           QB       HIS   6  -0.957   3.930 -18.052
   45    H    PHE   7           HN       PHE   7  -1.458   5.319 -19.293
   46    HA   PHE   7           HA       PHE   7  -0.208   6.644 -21.667
   47   1HB   PHE   7           2HB      PHE   7  -2.774   6.242 -21.580
   48   2HB   PHE   7           3HB      PHE   7  -2.810   7.506 -20.357
   49    HD1  PHE   7          1HD       PHE   7  -1.410   6.854 -23.782
   50    HD2  PHE   7          2HD       PHE   7  -3.000   9.745 -21.079
   51    HE1  PHE   7          1HE       PHE   7  -1.300   8.566 -25.544
   52    HE2  PHE   7          2HE       PHE   7  -2.880  11.447 -22.839
   53    HZ   PHE   7           HZ       PHE   7  -2.034  10.864 -25.068
   54    QB   PHE   7           QB       PHE   7  -2.792   6.874 -20.968
   55    QR   PHE   7           QR       PHE   7  -2.148   9.153 -23.311
   56    H    GLU   8           HN       GLU   8  -1.886   7.890 -18.772
   57    HA   GLU   8           HA       GLU   8   0.587   9.462 -18.158
   58   1HB   GLU   8           2HB      GLU   8  -2.305  10.378 -18.209
   59   2HB   GLU   8           3HB      GLU   8  -1.054  11.277 -17.366
   60   1HG   GLU   8           2HG      GLU   8   0.214  11.525 -19.470
   61   2HG   GLU   8           3HG      GLU   8  -0.995  10.578 -20.329
   62    QB   GLU   8           QB       GLU   8  -1.680  10.827 -17.787
   63    QG   GLU   8           QG       GLU   8  -0.391  11.051 -19.900
   64    H    GLY   9           HN       GLY   9  -2.581   8.693 -16.754
   65   1HA   GLY   9           1HA      GLY   9  -1.193   8.193 -14.143
   66   2HA   GLY   9           2HA      GLY   9  -2.759   8.969 -14.240
   67    QA   GLY   9           QA       GLY   9  -1.976   8.581 -14.192
   68    H    GLU  10           HN       GLU  10  -4.219   7.417 -15.853
   69    HA   GLU  10           HA       GLU  10  -5.495   5.526 -14.497
   70   1HB   GLU  10           2HB      GLU  10  -5.718   4.176 -16.700
   71   2HB   GLU  10           3HB      GLU  10  -6.259   5.847 -16.678
   72   1HG   GLU  10           2HG      GLU  10  -3.399   5.377 -17.422
   73   2HG   GLU  10           3HG      GLU  10  -4.615   4.894 -18.597
   74    QB   GLU  10           QB       GLU  10  -5.988   5.011 -16.689
   75    QG   GLU  10           QG       GLU  10  -4.007   5.136 -18.009
   76    H    LYS  11           HN       LYS  11  -3.823   4.674 -12.941
   77    HA   LYS  11           HA       LYS  11  -2.936   1.992 -13.912
   78   1HB   LYS  11           2HB      LYS  11  -1.263   3.927 -12.260
   79   2HB   LYS  11           3HB      LYS  11  -0.831   2.259 -12.593
   80   1HG   LYS  11           2HG      LYS  11  -0.474   2.666 -14.896
   81   2HG   LYS  11           3HG      LYS  11  -1.394   4.161 -14.877
   82   1HD   LYS  11           2HD      LYS  11   0.963   4.727 -14.994
   83   2HD   LYS  11           3HD      LYS  11   0.366   5.182 -13.404
   84   1HE   LYS  11           2HE      LYS  11   1.953   3.890 -12.462
   85   2HE   LYS  11           3HE      LYS  11   1.229   2.469 -13.195
   86   1HZ   LYS  11           3HZ      LYS  11   2.757   3.883 -15.140
   87   2HZ   LYS  11           1HZ      LYS  11   3.700   3.566 -13.744
   88   3HZ   LYS  11           2HZ      LYS  11   2.935   2.298 -14.578
   89    QB   LYS  11           QB       LYS  11  -1.047   3.093 -12.426
   90    QG   LYS  11           QG       LYS  11  -0.934   3.414 -14.886
   91    QD   LYS  11           QD       LYS  11   0.664   4.955 -14.200
   92    QE   LYS  11           QE       LYS  11   1.592   3.180 -12.828
   93    QZ   LYS  11           QZ       LYS  11   3.130   3.248 -14.487
   94    H    VAL  12           HN       VAL  12  -2.875   0.432 -12.142
   95    HA   VAL  12           HA       VAL  12  -4.059   1.476  -9.622
   96    HB   VAL  12           HB       VAL  12  -5.915   0.649 -11.038
   97   1HG1  VAL  12           1HG      VAL  12  -4.439  -2.006 -10.950
   98   2HG1  VAL  12           2HG      VAL  12  -6.053  -1.757 -11.601
   99   3HG1  VAL  12           3HG      VAL  12  -4.668  -1.000 -12.374
  100   1HG2  VAL  12           1HG      VAL  12  -6.076   0.401  -8.588
  101   2HG2  VAL  12           2HG      VAL  12  -6.895  -0.923  -9.408
  102   3HG2  VAL  12           3HG      VAL  12  -5.308  -1.180  -8.690
  103    QG1  VAL  12           QG1      VAL  12  -5.054  -1.588 -11.642
  104    QG2  VAL  12           QG2      VAL  12  -6.093  -0.567  -8.895
  105    QQG  VAL  12           QQG      VAL  12  -5.574  -1.077 -10.268
  106    H    PHE  13           HN       PHE  13  -3.520   0.295  -7.800
  107    HA   PHE  13           HA       PHE  13  -1.512  -1.878  -8.197
  108   1HB   PHE  13           2HB      PHE  13  -1.225   0.242  -6.042
  109   2HB   PHE  13           3HB      PHE  13  -0.031  -0.933  -6.575
  110    HD1  PHE  13          2HD       PHE  13   0.839  -0.744  -8.994
  111    HD2  PHE  13          1HD       PHE  13  -1.304   2.402  -7.081
  112    HE1  PHE  13          2HE       PHE  13   1.818   0.885 -10.554
  113    HE2  PHE  13          1HE       PHE  13  -0.325   4.017  -8.634
  114    HZ   PHE  13           HZ       PHE  13   1.323   3.262 -10.313
  115    QB   PHE  13           QB       PHE  13  -0.628  -0.345  -6.309
  116    QR   PHE  13           QR       PHE  13   0.257   1.640  -8.816
  117    NH1  ARG  14           NH2      ARG  14  -8.060  -4.351  -5.296
  118    NH2  ARG  14           NH1      ARG  14  -8.039  -2.534  -6.660
  119    H    ARG  14           HN       ARG  14  -1.355  -3.279  -6.384
  120    HA   ARG  14           HA       ARG  14  -3.610  -3.092  -4.445
  121   1HB   ARG  14           2HB      ARG  14  -3.017  -5.130  -6.493
  122   2HB   ARG  14           3HB      ARG  14  -3.127  -5.838  -4.911
  123   1HG   ARG  14           2HG      ARG  14  -5.307  -5.889  -5.810
  124   2HG   ARG  14           3HG      ARG  14  -5.292  -4.610  -4.594
  125   1HD   ARG  14           2HD      ARG  14  -5.264  -2.904  -6.191
  126   2HD   ARG  14           3HD      ARG  14  -4.637  -3.966  -7.466
  127    HE   ARG  14           HE       ARG  14  -6.823  -4.920  -7.674
  128   1HH1  ARG  14           2HH      ARG  14  -7.705  -5.260  -5.091
  129   2HH1  ARG  14           1HH      ARG  14  -8.720  -3.912  -4.676
  130   1HH2  ARG  14           2HH      ARG  14  -7.650  -2.066  -7.448
  131   2HH2  ARG  14           1HH      ARG  14  -8.742  -2.079  -6.100
  132    QB   ARG  14           QB       ARG  14  -3.072  -5.483  -5.702
  133    QG   ARG  14           QG       ARG  14  -5.299  -5.250  -5.202
  134    QD   ARG  14           QD       ARG  14  -4.951  -3.434  -6.829
  135    QH1  ARG  14           QH2      ARG  14  -8.212  -4.586  -4.884
  136    QH2  ARG  14           QH1      ARG  14  -8.195  -2.073  -6.774
  137    H    VAL  15           HN       VAL  15  -2.339  -2.574  -2.637
  138    HA   VAL  15           HA       VAL  15   0.176  -4.067  -2.245
  139    HB   VAL  15           HB       VAL  15  -1.155  -2.160  -0.291
  140   1HG1  VAL  15           2HG      VAL  15   1.716  -3.099  -0.656
  141   2HG1  VAL  15           3HG      VAL  15   1.175  -1.946   0.558
  142   3HG1  VAL  15           1HG      VAL  15   0.627  -3.619   0.626
  143   1HG2  VAL  15           3HG      VAL  15   0.833  -1.592  -2.521
  144   2HG2  VAL  15           1HG      VAL  15  -0.813  -0.971  -2.415
  145   3HG2  VAL  15           2HG      VAL  15   0.403  -0.455  -1.252
  146    QG1  VAL  15           QG1      VAL  15   1.172  -2.888   0.176
  147    QG2  VAL  15           QG2      VAL  15   0.141  -1.006  -2.063
  148    QQG  VAL  15           QQG      VAL  15   0.657  -1.947  -0.943
  149    H    ASN  16           HN       ASN  16  -1.068  -6.026  -2.399
  150    HA   ASN  16           HA       ASN  16  -2.980  -6.898  -0.543
  151   1HB   ASN  16           2HB      ASN  16  -0.759  -8.486  -1.866
  152   2HB   ASN  16           3HB      ASN  16  -2.127  -9.206  -1.021
  153   1HD2  ASN  16           2HD      ASN  16  -3.437  -9.184  -4.386
  154   2HD2  ASN  16           1HD      ASN  16  -2.645 -10.146  -3.233
  155    QB   ASN  16           QB       ASN  16  -1.443  -8.846  -1.443
  156    QD2  ASN  16           QD2      ASN  16  -3.040  -9.664  -3.809
  157    H    VAL  17           HN       VAL  17  -2.882  -7.928   1.372
  158    HA   VAL  17           HA       VAL  17  -0.333  -7.637   2.893
  159    HB   VAL  17           HB       VAL  17  -3.218  -7.155   3.720
  160   1HG1  VAL  17           1HG      VAL  17  -1.870  -8.328   5.498
  161   2HG1  VAL  17           2HG      VAL  17  -0.725  -6.999   5.444
  162   3HG1  VAL  17           3HG      VAL  17  -2.383  -6.720   5.948
  163   1HG2  VAL  17           3HG      VAL  17  -2.090  -5.317   2.473
  164   2HG2  VAL  17           1HG      VAL  17  -2.385  -4.864   4.150
  165   3HG2  VAL  17           2HG      VAL  17  -0.770  -5.348   3.637
  166    QG1  VAL  17           QG1      VAL  17  -1.659  -7.349   5.630
  167    QG2  VAL  17           QG2      VAL  17  -1.749  -5.176   3.420
  168    QQG  VAL  17           QQG      VAL  17  -1.704  -6.263   4.525
  169    H    GLU  18           HN       GLU  18   0.409  -9.635   3.290
  170    HA   GLU  18           HA       GLU  18  -1.492 -11.875   3.384
  171   1HB   GLU  18           2HB      GLU  18   1.529 -11.821   3.666
  172   2HB   GLU  18           3HB      GLU  18   0.532 -13.229   3.379
  173   1HG   GLU  18           2HG      GLU  18   1.151 -10.955   1.508
  174   2HG   GLU  18           3HG      GLU  18   1.278 -12.681   1.201
  175    QB   GLU  18           QB       GLU  18   1.031 -12.525   3.523
  176    QG   GLU  18           QG       GLU  18   1.214 -11.818   1.354
  177    H    ASP  19           HN       ASP  19   0.754 -10.129   5.495
  178    HA   ASP  19           HA       ASP  19  -0.673 -11.430   7.793
  179   1HB   ASP  19           2HB      ASP  19   1.888 -12.179   7.362
  180   2HB   ASP  19           3HB      ASP  19   2.200 -10.747   8.251
  181    QB   ASP  19           QB       ASP  19   2.044 -11.463   7.807
  182    H    GLU  20           HN       GLU  20   1.143 -10.031   9.562
  183    HA   GLU  20           HA       GLU  20  -0.224  -7.406   9.320
  184   1HB   GLU  20           2HB      GLU  20  -0.006  -8.702  11.537
  185   2HB   GLU  20           3HB      GLU  20   1.691  -8.235  11.509
  186   1HG   GLU  20           2HG      GLU  20   0.726  -6.529  12.719
  187   2HG   GLU  20           3HG      GLU  20   0.761  -5.802  11.122
  188    QB   GLU  20           QB       GLU  20   0.842  -8.469  11.523
  189    QG   GLU  20           QG       GLU  20   0.744  -6.166  11.920
  190    H    ASN  21           HN       ASN  21   2.950  -8.887   9.231
  191    HA   ASN  21           HA       ASN  21   4.754  -6.802   9.172
  192   1HB   ASN  21           2HB      ASN  21   5.434  -9.104   8.829
  193   2HB   ASN  21           3HB      ASN  21   4.539  -9.202   7.324
  194   1HD2  ASN  21           2HD      ASN  21   7.499  -6.594   6.578
  195   2HD2  ASN  21           1HD      ASN  21   6.178  -6.159   7.553
  196    QB   ASN  21           QB       ASN  21   4.986  -9.153   8.077
  197    QD2  ASN  21           QD2      ASN  21   6.838  -6.377   7.066
  198    H    ASP  22           HN       ASP  22   2.849  -7.889   6.423
  199    HA   ASP  22           HA       ASP  22   3.649  -5.950   4.542
  200   1HB   ASP  22           2HB      ASP  22   1.172  -7.628   4.960
  201   2HB   ASP  22           3HB      ASP  22   1.242  -6.514   3.615
  202    QB   ASP  22           QB       ASP  22   1.207  -7.071   4.287
  203    H    ILE  23           HN       ILE  23   1.283  -5.750   7.104
  204    HA   ILE  23           HA       ILE  23   0.329  -3.105   6.246
  205    HB   ILE  23           HB       ILE  23  -0.143  -4.754   8.758
  206   1HG1  ILE  23           2HG      ILE  23  -2.199  -3.871   6.743
  207   2HG1  ILE  23           3HG      ILE  23  -1.151  -5.226   6.375
  208   1HG2  ILE  23           3HG      ILE  23  -1.330  -2.052   7.977
  209   2HG2  ILE  23           1HG      ILE  23  -1.827  -3.023   9.357
  210   3HG2  ILE  23           2HG      ILE  23  -0.217  -2.327   9.311
  211   1HD1  ILE  23           1HD      ILE  23  -2.799  -5.014   8.910
  212   2HD1  ILE  23           2HD      ILE  23  -3.285  -5.917   7.486
  213   3HD1  ILE  23           3HD      ILE  23  -1.854  -6.404   8.380
  214    QG1  ILE  23           QG1      ILE  23  -1.675  -4.549   6.559
  215    QG2  ILE  23           QG2      ILE  23  -1.125  -2.468   8.882
  216    QD1  ILE  23           QD1      ILE  23  -2.647  -5.778   8.258
  217    H    SER  24           HN       SER  24   2.437  -4.435   8.785
  218    HA   SER  24           HA       SER  24   2.888  -1.949  10.132
  219   1HB   SER  24           2HB      SER  24   5.098  -3.074  10.836
  220   2HB   SER  24           3HB      SER  24   3.633  -4.005  11.216
  221    HG   SER  24           HG       SER  24   5.521  -4.363   9.152
  222    QB   SER  24           QB       SER  24   4.366  -3.539  11.026
  223    H    GLU  25           HN       GLU  25   4.349  -3.516   7.354
  224    HA   GLU  25           HA       GLU  25   6.305  -1.357   7.039
  225   1HB   GLU  25           2HB      GLU  25   5.777  -4.017   5.909
  226   2HB   GLU  25           3HB      GLU  25   6.338  -2.877   4.713
  227   1HG   GLU  25           2HG      GLU  25   8.158  -4.173   6.024
  228   2HG   GLU  25           3HG      GLU  25   8.360  -2.428   5.968
  229    QB   GLU  25           QB       GLU  25   6.058  -3.448   5.311
  230    QG   GLU  25           QG       GLU  25   8.259  -3.300   5.996
  231    H    LEU  26           HN       LEU  26   3.207  -2.225   5.394
  232    HA   LEU  26           HA       LEU  26   3.556  -0.142   3.427
  233   1HB   LEU  26           2HB      LEU  26   1.916  -1.776   2.913
  234   2HB   LEU  26           3HB      LEU  26   1.194  -1.696   4.512
  235    HG   LEU  26           HG       LEU  26   0.369   0.564   4.029
  236   1HD1  LEU  26           1HD      LEU  26   1.502   0.076   1.247
  237   2HD1  LEU  26           2HD      LEU  26   0.486   1.441   1.700
  238   3HD1  LEU  26           3HD      LEU  26   2.092   1.270   2.390
  239   1HD2  LEU  26           2HD      LEU  26  -0.375  -1.499   1.923
  240   2HD2  LEU  26           3HD      LEU  26  -1.070  -1.377   3.533
  241   3HD2  LEU  26           1HD      LEU  26  -1.355  -0.104   2.353
  242    QB   LEU  26           QB       LEU  26   1.555  -1.736   3.712
  243    QD1  LEU  26           QD1      LEU  26   1.360   0.929   1.779
  244    QD2  LEU  26           QD2      LEU  26  -0.934  -0.993   2.603
  245    QQD  LEU  26           QQD      LEU  26   0.213  -0.032   2.191
  246    H    HIS  27           HN       HIS  27   2.216  -0.268   6.662
  247    HA   HIS  27           HA       HIS  27   0.895   2.199   6.846
  248   1HB   HIS  27           2HB      HIS  27   1.929   0.302   8.716
  249   2HB   HIS  27           3HB      HIS  27   2.437   1.877   9.242
  250    HD1  HIS  27           HD1      HIS  27   0.186   3.631   8.825
  251    HD2  HIS  27           HD2      HIS  27  -0.516  -0.269   9.954
  252    HE1  HIS  27           HE1      HIS  27  -2.148   3.548   9.769
  253    QB   HIS  27           QB       HIS  27   2.183   1.090   8.979
  254    H    GLU  28           HN       GLU  28   4.349   1.526   7.318
  255    HA   GLU  28           HA       GLU  28   5.327   4.033   8.012
  256   1HB   GLU  28           2HB      GLU  28   6.662   1.922   7.563
  257   2HB   GLU  28           3HB      GLU  28   6.571   2.284   5.848
  258   1HG   GLU  28           2HG      GLU  28   8.692   3.133   6.722
  259   2HG   GLU  28           3HG      GLU  28   7.670   4.509   6.325
  260    QB   GLU  28           QB       GLU  28   6.617   2.104   6.706
  261    QG   GLU  28           QG       GLU  28   8.181   3.821   6.524
  262    H    LEU  29           HN       LEU  29   4.408   2.926   4.799
  263    HA   LEU  29           HA       LEU  29   4.964   5.445   3.456
  264   1HB   LEU  29           2HB      LEU  29   4.660   2.924   2.575
  265   2HB   LEU  29           3HB      LEU  29   2.993   3.423   2.396
  266    HG   LEU  29           HG       LEU  29   4.178   3.729   0.294
  267   1HD1  LEU  29           2HD      LEU  29   2.459   5.438   0.882
  268   2HD1  LEU  29           3HD      LEU  29   3.721   6.435   1.603
  269   3HD1  LEU  29           1HD      LEU  29   3.738   6.111  -0.122
  270   1HD2  LEU  29           1HD      LEU  29   6.442   3.945   1.238
  271   2HD2  LEU  29           2HD      LEU  29   6.094   5.248   0.113
  272   3HD2  LEU  29           3HD      LEU  29   6.049   5.549   1.843
  273    QB   LEU  29           QB       LEU  29   3.827   3.173   2.485
  274    QD1  LEU  29           QD1      LEU  29   3.306   5.995   0.787
  275    QD2  LEU  29           QD2      LEU  29   6.195   4.914   1.065
  276    QQD  LEU  29           QQD      LEU  29   4.750   5.454   0.926
  277    H    ALA  30           HN       ALA  30   2.083   3.847   4.743
  278    HA   ALA  30           HA       ALA  30   0.090   5.648   3.871
  279   1HB   ALA  30           2HB      ALA  30  -0.396   3.565   5.160
  280   2HB   ALA  30           3HB      ALA  30   0.277   4.324   6.599
  281   3HB   ALA  30           1HB      ALA  30  -1.190   4.965   5.875
  282    QB   ALA  30           QB       ALA  30  -0.437   4.285   5.878
  283    H    SER  31           HN       SER  31   2.319   5.862   6.577
  284    HA   SER  31           HA       SER  31   1.533   8.030   8.038
  285   1HB   SER  31           2HB      SER  31   4.369   7.833   6.967
  286   2HB   SER  31           3HB      SER  31   3.839   8.419   8.556
  287    HG   SER  31           HG       SER  31   4.339   5.907   7.785
  288    QB   SER  31           QB       SER  31   4.104   8.125   7.762
  289    H    THR  32           HN       THR  32   3.771   8.624   5.305
  290    HA   THR  32           HA       THR  32   2.990  11.432   5.173
  291    HB   THR  32           HB       THR  32   4.434  11.334   3.009
  292    HG1  THR  32          1HG       THR  32   5.553   8.996   3.717
  293   1HG2  THR  32           1HG      THR  32   5.687  10.180   5.558
  294   2HG2  THR  32           2HG      THR  32   6.564  10.973   4.250
  295   3HG2  THR  32           3HG      THR  32   5.462  11.901   5.263
  296    QG2  THR  32           QG2      THR  32   5.905  11.018   5.024
  297    NH1  ARG  33           NH2      ARG  33  -4.112  10.587   5.445
  298    NH2  ARG  33           NH1      ARG  33  -1.961  10.920   6.177
  299    H    ARG  33           HN       ARG  33   2.346   8.492   3.448
  300    HA   ARG  33           HA       ARG  33   0.576   7.855   2.099
  301   1HB   ARG  33           2HB      ARG  33  -0.471   9.561   3.961
  302   2HB   ARG  33           3HB      ARG  33  -0.952  10.367   2.482
  303   1HG   ARG  33           2HG      ARG  33  -2.070   8.364   1.683
  304   2HG   ARG  33           3HG      ARG  33  -1.450   7.417   3.028
  305   1HD   ARG  33           2HD      ARG  33  -3.399   9.735   3.149
  306   2HD   ARG  33           3HD      ARG  33  -3.730   8.059   3.578
  307    HE   ARG  33           HE       ARG  33  -1.873   8.474   5.408
  308   1HH1  ARG  33           2HH      ARG  33  -4.769  10.001   4.970
  309   2HH1  ARG  33           1HH      ARG  33  -4.422  11.455   5.832
  310   1HH2  ARG  33           2HH      ARG  33  -1.004  10.609   6.192
  311   2HH2  ARG  33           1HH      ARG  33  -2.213  11.773   6.638
  312    QB   ARG  33           QB       ARG  33  -0.711   9.963   3.222
  313    QG   ARG  33           QG       ARG  33  -1.760   7.891   2.356
  314    QD   ARG  33           QD       ARG  33  -3.565   8.897   3.363
  315    QH1  ARG  33           QH2      ARG  33  -4.595  10.728   5.401
  316    QH2  ARG  33           QH1      ARG  33  -1.608  11.190   6.415
  317    H    GLN  34           HN       GLN  34   2.328   8.338   0.480
  318    HA   GLN  34           HA       GLN  34   2.024  10.680  -1.226
  319   1HB   GLN  34           2HB      GLN  34   3.359   8.006  -1.828
  320   2HB   GLN  34           3HB      GLN  34   3.572   9.492  -2.736
  321   1HG   GLN  34           2HG      GLN  34   4.544  10.573  -0.696
  322   2HG   GLN  34           3HG      GLN  34   4.388   9.044   0.166
  323   1HE2  GLN  34           2HE      GLN  34   7.031   9.069  -2.997
  324   2HE2  GLN  34           1HE      GLN  34   5.565   9.915  -3.139
  325    QB   GLN  34           QB       GLN  34   3.465   8.749  -2.281
  326    QG   GLN  34           QG       GLN  34   4.467   9.808  -0.265
  327    QE2  GLN  34           QE2      GLN  34   6.298   9.492  -3.068
  328    H    ILE  35           HN       ILE  35   0.175   8.062  -0.667
  329    HA   ILE  35           HA       ILE  35  -1.157   8.133  -3.320
  330    HB   ILE  35           HB       ILE  35  -1.818   5.657  -2.462
  331   1HG1  ILE  35           2HG      ILE  35   0.262   4.555  -1.571
  332   2HG1  ILE  35           3HG      ILE  35   0.941   6.145  -1.284
  333   1HG2  ILE  35           3HG      ILE  35  -0.818   6.231  -4.624
  334   2HG2  ILE  35           1HG      ILE  35   0.770   6.323  -3.867
  335   3HG2  ILE  35           2HG      ILE  35  -0.087   4.787  -3.937
  336   1HD1  ILE  35           2HD      ILE  35  -1.650   5.104  -0.073
  337   2HD1  ILE  35           3HD      ILE  35  -0.105   5.217   0.763
  338   3HD1  ILE  35           1HD      ILE  35  -0.929   6.678   0.248
  339    QG1  ILE  35           QG1      ILE  35   0.602   5.350  -1.427
  340    QG2  ILE  35           QG2      ILE  35  -0.045   5.780  -4.143
  341    QD1  ILE  35           QD1      ILE  35  -0.895   5.667   0.313
  342    H    ASP  36           HN       ASP  36  -3.378   7.081  -3.044
  343    HA   ASP  36           HA       ASP  36  -4.647   8.275  -0.625
  344   1HB   ASP  36           2HB      ASP  36  -5.982   7.363  -3.206
  345   2HB   ASP  36           3HB      ASP  36  -6.705   8.329  -1.922
  346    QB   ASP  36           QB       ASP  36  -6.344   7.846  -2.564
  347    H    PHE  37           HN       PHE  37  -6.716   6.969  -0.163
  348    HA   PHE  37           HA       PHE  37  -6.106   4.054  -0.315
  349   1HB   PHE  37           2HB      PHE  37  -7.220   5.617   2.041
  350   2HB   PHE  37           3HB      PHE  37  -7.197   3.860   1.956
  351    HD1  PHE  37          2HD       PHE  37  -4.583   3.213   0.832
  352    HD2  PHE  37          1HD       PHE  37  -5.628   6.280   3.590
  353    HE1  PHE  37          2HE       PHE  37  -2.331   3.118   1.794
  354    HE2  PHE  37          1HE       PHE  37  -3.372   6.180   4.550
  355    HZ   PHE  37           HZ       PHE  37  -1.714   4.624   3.630
  356    QB   PHE  37           QB       PHE  37  -7.209   4.738   1.998
  357    QR   PHE  37           QR       PHE  37  -3.978   4.698   2.691
  358    CH2  TRP  38           CH2      TRP  38 -12.919   1.459  -6.966
  359    H    TRP  38           HN       TRP  38  -7.414   4.180  -2.204
  360    HA   TRP  38           HA       TRP  38 -10.139   5.133  -2.000
  361   1HB   TRP  38           2HB      TRP  38  -8.986   4.911  -4.169
  362   2HB   TRP  38           3HB      TRP  38  -8.940   3.177  -3.975
  363    HD1  TRP  38           HD1      TRP  38 -11.942   5.635  -3.485
  364    HE1  TRP  38           HE1      TRP  38 -13.913   4.781  -4.752
  365    HE3  TRP  38           HE3      TRP  38  -9.756   1.713  -5.734
  366    HZ2  TRP  38           HZ2      TRP  38 -14.549   2.766  -6.512
  367    HZ3  TRP  38           HZ3      TRP  38 -11.148   0.307  -7.233
  368    HH2  TRP  38           HH2      TRP  38 -13.512   0.826  -7.612
  369    QB   TRP  38           QB       TRP  38  -8.963   4.044  -4.072
  370    H    LYS  39           HN       LYS  39  -8.695   1.858  -1.999
  371    HA   LYS  39           HA       LYS  39 -10.914   1.040  -0.212
  372   1HB   LYS  39           2HB      LYS  39 -11.052   0.445  -2.903
  373   2HB   LYS  39           3HB      LYS  39 -10.301  -1.002  -2.249
  374   1HG   LYS  39           2HG      LYS  39 -12.316  -1.693  -1.507
  375   2HG   LYS  39           3HG      LYS  39 -12.390  -0.316  -0.430
  376   1HD   LYS  39           2HD      LYS  39 -13.299  -0.327  -3.336
  377   2HD   LYS  39           3HD      LYS  39 -14.375  -0.444  -1.950
  378   1HE   LYS  39           2HE      LYS  39 -12.566   1.913  -2.618
  379   2HE   LYS  39           3HE      LYS  39 -14.309   1.870  -2.789
  380   1HZ   LYS  39           2HZ      LYS  39 -13.744   1.154  -0.145
  381   2HZ   LYS  39           3HZ      LYS  39 -12.800   2.508  -0.503
  382   3HZ   LYS  39           1HZ      LYS  39 -14.456   2.580  -0.688
  383    QB   LYS  39           QB       LYS  39 -10.677  -0.278  -2.576
  384    QG   LYS  39           QG       LYS  39 -12.353  -1.005  -0.968
  385    QD   LYS  39           QD       LYS  39 -13.837  -0.386  -2.643
  386    QE   LYS  39           QE       LYS  39 -13.437   1.892  -2.703
  387    QZ   LYS  39           QZ       LYS  39 -13.666   2.080  -0.445
  388    HA   PRO  40           HA       PRO  40 -11.351  -0.254   1.544
  389   1HB   PRO  40           2HB      PRO  40  -9.932   0.078   4.008
  390   2HB   PRO  40           3HB      PRO  40 -10.936  -1.297   3.531
  391   1HG   PRO  40           2HG      PRO  40  -7.979  -1.037   3.535
  392   2HG   PRO  40           3HG      PRO  40  -8.965  -2.506   3.550
  393   1HD   PRO  40           2HD      PRO  40  -7.541  -1.613   1.332
  394   2HD   PRO  40           3HD      PRO  40  -8.970  -2.662   1.224
  395    QB   PRO  40           QB       PRO  40 -10.434  -0.609   3.769
  396    QG   PRO  40           QG       PRO  40  -8.472  -1.771   3.543
  397    QD   PRO  40           QD       PRO  40  -8.256  -2.137   1.278
  398    H    ASP  41           HN       ASP  41 -12.130   1.668   2.328
  399    HA   ASP  41           HA       ASP  41 -11.055   4.053   1.308
  400   1HB   ASP  41           2HB      ASP  41 -12.988   3.673   3.619
  401   2HB   ASP  41           3HB      ASP  41 -12.846   5.113   2.608
  402    QB   ASP  41           QB       ASP  41 -12.917   4.394   3.114
  403    H    SER  42           HN       SER  42 -10.204   2.403   4.184
  404    HA   SER  42           HA       SER  42  -8.403   4.642   4.902
  405   1HB   SER  42           2HB      SER  42 -10.298   4.906   6.439
  406   2HB   SER  42           3HB      SER  42 -10.221   3.186   6.868
  407    HG   SER  42           HG       SER  42  -8.784   3.791   8.292
  408    QB   SER  42           QB       SER  42 -10.260   4.045   6.654
  409    H    VAL  43           HN       VAL  43  -6.772   3.960   6.457
  410    HA   VAL  43           HA       VAL  43  -5.941   1.114   5.987
  411    HB   VAL  43           HB       VAL  43  -4.415   2.954   5.080
  412   1HG1  VAL  43           1HG      VAL  43  -4.761   4.574   6.950
  413   2HG1  VAL  43           2HG      VAL  43  -3.929   3.473   8.044
  414   3HG1  VAL  43           3HG      VAL  43  -3.061   4.211   6.708
  415   1HG2  VAL  43           3HG      VAL  43  -3.568   0.696   5.605
  416   2HG2  VAL  43           1HG      VAL  43  -2.354   1.920   5.961
  417   3HG2  VAL  43           2HG      VAL  43  -3.272   1.182   7.272
  418    QG1  VAL  43           QG1      VAL  43  -3.917   4.086   7.233
  419    QG2  VAL  43           QG2      VAL  43  -3.064   1.266   6.279
  420    QQG  VAL  43           QQG      VAL  43  -3.490   2.676   6.757
  421    H    THR  44           HN       THR  44  -6.623   3.592   8.240
  422    HA   THR  44           HA       THR  44  -5.523   3.278  10.618
  423    HB   THR  44           HB       THR  44  -7.854   3.398  11.696
  424    HG1  THR  44          1HG       THR  44  -9.448   2.802  10.436
  425   1HG2  THR  44           2HG      THR  44  -7.370   5.101   9.198
  426   2HG2  THR  44           3HG      THR  44  -8.433   5.524  10.532
  427   3HG2  THR  44           1HG      THR  44  -6.693   5.444  10.781
  428    QG2  THR  44           QG2      THR  44  -7.498   5.356  10.171
  429    H    GLN  45           HN       GLN  45  -7.977   0.864   9.689
  430    HA   GLN  45           HA       GLN  45  -6.512  -1.035  11.479
  431   1HB   GLN  45           2HB      GLN  45  -9.519  -0.703  11.184
  432   2HB   GLN  45           3HB      GLN  45  -8.775  -2.085  11.973
  433   1HG   GLN  45           2HG      GLN  45  -8.381   0.813  12.810
  434   2HG   GLN  45           3HG      GLN  45  -9.418  -0.351  13.628
  435   1HE2  GLN  45           2HE      GLN  45  -5.498  -0.304  14.456
  436   2HE2  GLN  45           1HE      GLN  45  -6.225   0.862  13.459
  437    QB   GLN  45           QB       GLN  45  -9.147  -1.393  11.579
  438    QG   GLN  45           QG       GLN  45  -8.900   0.231  13.218
  439    QE2  GLN  45           QE2      GLN  45  -5.862   0.279  13.958
  440    H    ILE  46           HN       ILE  46  -5.794  -0.999   8.880
  441    HA   ILE  46           HA       ILE  46  -7.364  -2.904   7.330
  442    HB   ILE  46           HB       ILE  46  -5.881  -1.328   6.160
  443   1HG1  ILE  46           2HG      ILE  46  -4.506  -2.952   4.808
  444   2HG1  ILE  46           3HG      ILE  46  -4.960  -4.218   5.939
  445   1HG2  ILE  46           2HG      ILE  46  -3.651  -2.729   7.657
  446   2HG2  ILE  46           3HG      ILE  46  -3.421  -1.554   6.368
  447   3HG2  ILE  46           1HG      ILE  46  -4.165  -1.065   7.881
  448   1HD1  ILE  46           3HD      ILE  46  -7.362  -3.796   5.403
  449   2HD1  ILE  46           1HD      ILE  46  -6.865  -2.559   4.260
  450   3HD1  ILE  46           2HD      ILE  46  -6.443  -4.240   3.971
  451    QG1  ILE  46           QG1      ILE  46  -4.733  -3.585   5.373
  452    QG2  ILE  46           QG2      ILE  46  -3.746  -1.783   7.302
  453    QD1  ILE  46           QD1      ILE  46  -6.891  -3.531   4.545
  454    H    LYS  47           HN       LYS  47  -6.809  -5.177   7.042
  455    HA   LYS  47           HA       LYS  47  -4.884  -6.234   9.059
  456   1HB   LYS  47           2HB      LYS  47  -7.762  -6.536   9.104
  457   2HB   LYS  47           3HB      LYS  47  -7.025  -8.106   8.850
  458   1HG   LYS  47           2HG      LYS  47  -7.320  -7.692  11.257
  459   2HG   LYS  47           3HG      LYS  47  -5.617  -7.778  10.875
  460   1HD   LYS  47           2HD      LYS  47  -6.726  -5.045  10.714
  461   2HD   LYS  47           3HD      LYS  47  -6.816  -5.752  12.315
  462   1HE   LYS  47           2HE      LYS  47  -4.304  -5.382  10.636
  463   2HE   LYS  47           3HE      LYS  47  -4.698  -4.574  12.132
  464   1HZ   LYS  47           3HZ      LYS  47  -4.786  -7.323  12.614
  465   2HZ   LYS  47           1HZ      LYS  47  -3.370  -6.994  11.734
  466   3HZ   LYS  47           2HZ      LYS  47  -3.645  -6.184  13.176
  467    QB   LYS  47           QB       LYS  47  -7.393  -7.322   8.978
  468    QG   LYS  47           QG       LYS  47  -6.469  -7.735  11.066
  469    QD   LYS  47           QD       LYS  47  -6.771  -5.398  11.515
  470    QE   LYS  47           QE       LYS  47  -4.501  -4.978  11.385
  471    QZ   LYS  47           QZ       LYS  47  -3.934  -6.833  12.508
  472    HA   PRO  48           HA       PRO  48  -3.557  -9.127   5.965
  473   1HB   PRO  48           2HB      PRO  48  -4.208 -11.454   7.699
  474   2HB   PRO  48           3HB      PRO  48  -2.651 -10.956   7.028
  475   1HG   PRO  48           2HG      PRO  48  -3.225 -10.636   9.672
  476   2HG   PRO  48           3HG      PRO  48  -2.211  -9.480   8.800
  477   1HD   PRO  48           2HD      PRO  48  -5.092  -9.222   9.604
  478   2HD   PRO  48           3HD      PRO  48  -3.825  -7.977   9.533
  479    QB   PRO  48           QB       PRO  48  -3.429 -11.205   7.363
  480    QG   PRO  48           QG       PRO  48  -2.719 -10.057   9.236
  481    QD   PRO  48           QD       PRO  48  -4.459  -8.600   9.569
  482    H    HIS  49           HN       HIS  49  -4.264 -10.573   4.398
  483    HA   HIS  49           HA       HIS  49  -5.806 -11.866   3.144
  484   1HB   HIS  49           2HB      HIS  49  -7.891 -11.392   5.283
  485   2HB   HIS  49           3HB      HIS  49  -7.915 -12.586   4.021
  486    HD1  HIS  49           HD1      HIS  49  -5.442 -14.035   4.275
  487    HD2  HIS  49           HD2      HIS  49  -7.364 -12.752   7.675
  488    HE1  HIS  49           HE1      HIS  49  -4.654 -15.526   6.146
  489    QB   HIS  49           QB       HIS  49  -7.902 -11.989   4.653
  490    H    SER  50           HN       SER  50  -5.414  -9.002   3.158
  491    HA   SER  50           HA       SER  50  -7.728  -8.256   1.505
  492   1HB   SER  50           2HB      SER  50  -6.915  -6.681   3.986
  493   2HB   SER  50           3HB      SER  50  -7.990  -6.049   2.729
  494    HG   SER  50           HG       SER  50  -8.708  -8.577   3.413
  495    QB   SER  50           QB       SER  50  -7.453  -6.365   3.357
  496    H    THR  51           HN       THR  51  -7.186  -5.921   0.584
  497    HA   THR  51           HA       THR  51  -4.244  -5.589   0.335
  498    HB   THR  51           HB       THR  51  -4.826  -6.933  -1.667
  499    HG1  THR  51          1HG       THR  51  -3.703  -5.566  -2.812
  500   1HG2  THR  51           3HG      THR  51  -7.277  -6.261  -1.817
  501   2HG2  THR  51           1HG      THR  51  -6.747  -4.670  -2.359
  502   3HG2  THR  51           2HG      THR  51  -6.398  -6.097  -3.332
  503    QG2  THR  51           QG2      THR  51  -6.807  -5.676  -2.503
  504    H    VAL  52           HN       VAL  52  -3.767  -3.498  -0.801
  505    HA   VAL  52           HA       VAL  52  -5.876  -1.508  -0.078
  506    HB   VAL  52           HB       VAL  52  -2.863  -1.148   0.178
  507   1HG1  VAL  52           3HG      VAL  52  -5.186   0.645   0.978
  508   2HG1  VAL  52           1HG      VAL  52  -3.487   0.964   1.309
  509   3HG1  VAL  52           2HG      VAL  52  -4.070   0.951  -0.350
  510   1HG2  VAL  52           1HG      VAL  52  -5.025  -1.472   2.299
  511   2HG2  VAL  52           2HG      VAL  52  -3.795  -2.669   1.903
  512   3HG2  VAL  52           3HG      VAL  52  -3.329  -1.132   2.621
  513    QG1  VAL  52           QG1      VAL  52  -4.248   0.853   0.646
  514    QG2  VAL  52           QG2      VAL  52  -4.050  -1.758   2.275
  515    QQG  VAL  52           QQG      VAL  52  -4.148  -0.452   1.460
  516    H    ASP  53           HN       ASP  53  -6.521  -0.359  -1.671
  517    HA   ASP  53           HA       ASP  53  -5.035  -0.399  -4.249
  518   1HB   ASP  53           2HB      ASP  53  -7.945   0.350  -3.847
  519   2HB   ASP  53           3HB      ASP  53  -7.157  -0.130  -5.340
  520    QB   ASP  53           QB       ASP  53  -7.551   0.110  -4.594
  521    H    PHE  54           HN       PHE  54  -3.725   1.279  -4.068
  522    HA   PHE  54           HA       PHE  54  -4.169   3.765  -2.770
  523   1HB   PHE  54           2HB      PHE  54  -2.384   3.071  -5.114
  524   2HB   PHE  54           3HB      PHE  54  -2.285   4.577  -4.230
  525    HD1  PHE  54          2HD       PHE  54  -2.867   3.188  -1.416
  526    HD2  PHE  54          1HD       PHE  54  -0.116   2.381  -4.583
  527    HE1  PHE  54          2HE       PHE  54  -1.243   2.310   0.200
  528    HE2  PHE  54          1HE       PHE  54   1.513   1.545  -2.947
  529    HZ   PHE  54           HZ       PHE  54   0.964   1.543  -0.548
  530    QB   PHE  54           QB       PHE  54  -2.334   3.824  -4.672
  531    QR   PHE  54           QR       PHE  54  -0.678   2.356  -2.186
  532    NH1  ARG  55           NH2      ARG  55 -10.666   5.194 -10.051
  533    NH2  ARG  55           NH1      ARG  55 -11.460   3.764  -8.451
  534    H    ARG  55           HN       ARG  55  -4.629   2.843  -6.063
  535    HA   ARG  55           HA       ARG  55  -6.511   3.618  -7.407
  536   1HB   ARG  55           2HB      ARG  55  -6.922   5.531  -5.620
  537   2HB   ARG  55           3HB      ARG  55  -5.889   6.485  -6.675
  538   1HG   ARG  55           2HG      ARG  55  -8.179   6.840  -7.377
  539   2HG   ARG  55           3HG      ARG  55  -7.456   5.803  -8.593
  540   1HD   ARG  55           2HD      ARG  55  -8.447   4.005  -6.661
  541   2HD   ARG  55           3HD      ARG  55  -9.692   5.242  -6.816
  542    HE   ARG  55           HE       ARG  55  -8.620   3.662  -9.146
  543   1HH1  ARG  55           2HH      ARG  55  -9.881   5.659 -10.463
  544   2HH1  ARG  55           1HH      ARG  55 -11.585   5.357 -10.412
  545   1HH2  ARG  55           2HH      ARG  55 -11.277   3.159  -7.672
  546   2HH2  ARG  55           1HH      ARG  55 -12.402   3.889  -8.764
  547    QB   ARG  55           QB       ARG  55  -6.406   6.008  -6.147
  548    QG   ARG  55           QG       ARG  55  -7.817   6.322  -7.986
  549    QD   ARG  55           QD       ARG  55  -9.070   4.624  -6.739
  550    QH1  ARG  55           QH2      ARG  55 -10.733   5.507 -10.437
  551    QH2  ARG  55           QH1      ARG  55 -11.839   3.524  -8.219
  552    H    VAL  56           HN       VAL  56  -5.848   6.194  -8.874
  553    HA   VAL  56           HA       VAL  56  -3.460   5.187 -10.252
  554    HB   VAL  56           HB       VAL  56  -4.351   6.162 -12.181
  555   1HG1  VAL  56           3HG      VAL  56  -5.679   4.184 -11.547
  556   2HG1  VAL  56           1HG      VAL  56  -6.778   5.211 -10.645
  557   3HG1  VAL  56           2HG      VAL  56  -6.673   5.349 -12.395
  558   1HG2  VAL  56           3HG      VAL  56  -6.267   7.753 -10.472
  559   2HG2  VAL  56           1HG      VAL  56  -4.926   8.388 -11.420
  560   3HG2  VAL  56           2HG      VAL  56  -6.319   7.697 -12.229
  561    QG1  VAL  56           QG1      VAL  56  -6.377   4.915 -11.529
  562    QG2  VAL  56           QG2      VAL  56  -5.837   7.946 -11.374
  563    QQG  VAL  56           QQG      VAL  56  -6.107   6.431 -11.451
  564    H    LYS  57           HN       LYS  57  -1.637   6.316 -10.002
  565    HA   LYS  57           HA       LYS  57  -1.777   9.251  -9.484
  566   1HB   LYS  57           2HB      LYS  57  -0.221   7.169  -7.919
  567   2HB   LYS  57           3HB      LYS  57   0.268   8.848  -7.918
  568   1HG   LYS  57           2HG      LYS  57  -2.489   7.826  -7.113
  569   2HG   LYS  57           3HG      LYS  57  -1.223   8.242  -5.974
  570   1HD   LYS  57           2HD      LYS  57  -1.755  10.407  -7.907
  571   2HD   LYS  57           3HD      LYS  57  -3.171   9.980  -6.962
  572   1HE   LYS  57           2HE      LYS  57  -1.710  11.770  -5.930
  573   2HE   LYS  57           3HE      LYS  57  -2.003  10.382  -4.889
  574   1HZ   LYS  57           1HZ      LYS  57   0.271   9.820  -6.411
  575   2HZ   LYS  57           2HZ      LYS  57   0.479  11.377  -5.830
  576   3HZ   LYS  57           3HZ      LYS  57   0.193  10.106  -4.757
  577    QB   LYS  57           QB       LYS  57   0.024   8.009  -7.918
  578    QG   LYS  57           QG       LYS  57  -1.856   8.034  -6.544
  579    QD   LYS  57           QD       LYS  57  -2.462  10.194  -7.434
  580    QE   LYS  57           QE       LYS  57  -1.856  11.076  -5.410
  581    QZ   LYS  57           QZ       LYS  57   0.314  10.434  -5.667
  582    H    ALA  58           HN       ALA  58   0.285  10.367 -10.186
  583    HA   ALA  58           HA       ALA  58   1.934   8.601 -11.957
  584   1HB   ALA  58           2HB      ALA  58   0.599  11.159 -12.863
  585   2HB   ALA  58           3HB      ALA  58   1.726  10.207 -13.824
  586   3HB   ALA  58           1HB      ALA  58   0.164   9.533 -13.376
  587    QB   ALA  58           QB       ALA  58   0.830  10.300 -13.355
  588    H    GLU  59           HN       GLU  59   2.057  10.706  -9.595
  589    HA   GLU  59           HA       GLU  59   4.522  12.061 -10.588
  590   1HB   GLU  59           2HB      GLU  59   4.095  13.764  -8.805
  591   2HB   GLU  59           3HB      GLU  59   2.827  13.683 -10.018
  592   1HG   GLU  59           2HG      GLU  59   2.684  12.337  -7.290
  593   2HG   GLU  59           3HG      GLU  59   1.914  13.861  -7.701
  594    QB   GLU  59           QB       GLU  59   3.461  13.723  -9.411
  595    QG   GLU  59           QG       GLU  59   2.299  13.099  -7.496
  596    H    ASP  60           HN       ASP  60   3.168  10.295  -7.844
  597    HA   ASP  60           HA       ASP  60   5.948  10.079  -6.733
  598   1HB   ASP  60           2HB      ASP  60   4.504   9.286  -4.663
  599   2HB   ASP  60           3HB      ASP  60   4.675  11.001  -5.028
  600    QB   ASP  60           QB       ASP  60   4.589  10.144  -4.845
  601    H    ILE  61           HN       ILE  61   3.921   8.273  -8.587
  602    HA   ILE  61           HA       ILE  61   3.679   5.816  -7.420
  603    HB   ILE  61           HB       ILE  61   4.059   5.428 -10.024
  604   1HG1  ILE  61           2HG      ILE  61   3.017   8.160 -10.177
  605   2HG1  ILE  61           3HG      ILE  61   4.756   7.877 -10.221
  606   1HG2  ILE  61           1HG      ILE  61   1.980   4.960  -8.799
  607   2HG2  ILE  61           2HG      ILE  61   1.629   6.683  -8.809
  608   3HG2  ILE  61           3HG      ILE  61   1.624   5.779 -10.315
  609   1HD1  ILE  61           2HD      ILE  61   4.439   6.285 -12.097
  610   2HD1  ILE  61           3HD      ILE  61   2.708   6.607 -12.071
  611   3HD1  ILE  61           1HD      ILE  61   3.837   7.886 -12.508
  612    QG1  ILE  61           QG1      ILE  61   3.886   8.018 -10.199
  613    QG2  ILE  61           QG2      ILE  61   1.745   5.808  -9.307
  614    QD1  ILE  61           QD1      ILE  61   3.661   6.926 -12.225
  615    H    LEU  62           HN       LEU  62   6.459   7.435  -8.784
  616    HA   LEU  62           HA       LEU  62   8.042   5.116  -9.253
  617   1HB   LEU  62           2HB      LEU  62   8.635   7.369 -10.111
  618   2HB   LEU  62           3HB      LEU  62   8.855   7.944  -8.470
  619    HG   LEU  62           HG       LEU  62  10.719   6.228  -8.212
  620   1HD1  LEU  62           1HD      LEU  62  10.337   6.008 -11.226
  621   2HD1  LEU  62           2HD      LEU  62  11.668   5.305 -10.310
  622   3HD1  LEU  62           3HD      LEU  62  10.027   4.725 -10.060
  623   1HD2  LEU  62           2HD      LEU  62  11.009   8.308 -10.410
  624   2HD2  LEU  62           3HD      LEU  62  11.166   8.613  -8.683
  625   3HD2  LEU  62           1HD      LEU  62  12.337   7.588  -9.504
  626    QB   LEU  62           QB       LEU  62   8.744   7.656  -9.290
  627    QD1  LEU  62           QD1      LEU  62  10.678   5.346 -10.532
  628    QD2  LEU  62           QD2      LEU  62  11.504   8.169  -9.532
  629    QQD  LEU  62           QQD      LEU  62  11.091   6.758 -10.032
  630    H    ALA  63           HN       ALA  63   7.577   6.987  -6.294
  631    HA   ALA  63           HA       ALA  63   9.573   5.233  -4.954
  632   1HB   ALA  63           2HB      ALA  63   7.873   7.515  -3.868
  633   2HB   ALA  63           3HB      ALA  63   9.152   6.689  -2.983
  634   3HB   ALA  63           1HB      ALA  63   9.545   7.653  -4.404
  635    QB   ALA  63           QB       ALA  63   8.856   7.286  -3.752
  636    H    VAL  64           HN       VAL  64   6.194   5.689  -5.318
  637    HA   VAL  64           HA       VAL  64   5.409   4.030  -3.036
  638    HB   VAL  64           HB       VAL  64   3.858   4.929  -5.502
  639   1HG1  VAL  64           3HG      VAL  64   2.885   3.777  -2.866
  640   2HG1  VAL  64           1HG      VAL  64   1.857   4.415  -4.142
  641   3HG1  VAL  64           2HG      VAL  64   2.814   2.972  -4.432
  642   1HG2  VAL  64           2HG      VAL  64   4.681   6.805  -4.092
  643   2HG2  VAL  64           3HG      VAL  64   2.931   6.659  -4.003
  644   3HG2  VAL  64           1HG      VAL  64   3.933   6.062  -2.685
  645    QG1  VAL  64           QG1      VAL  64   2.519   3.721  -3.813
  646    QG2  VAL  64           QG2      VAL  64   3.848   6.508  -3.593
  647    QQG  VAL  64           QQG      VAL  64   3.184   5.115  -3.703
  648    H    GLU  65           HN       GLU  65   5.650   3.582  -6.553
  649    HA   GLU  65           HA       GLU  65   4.773   0.823  -6.493
  650   1HB   GLU  65           2HB      GLU  65   6.363   2.435  -8.542
  651   2HB   GLU  65           3HB      GLU  65   5.957   0.747  -8.782
  652   1HG   GLU  65           2HG      GLU  65   3.529   1.320  -8.569
  653   2HG   GLU  65           3HG      GLU  65   3.964   3.017  -8.421
  654    QB   GLU  65           QB       GLU  65   6.160   1.591  -8.662
  655    QG   GLU  65           QG       GLU  65   3.747   2.169  -8.494
  656    H    ASP  66           HN       ASP  66   7.939   2.453  -6.609
  657    HA   ASP  66           HA       ASP  66   9.622   0.192  -6.421
  658   1HB   ASP  66           2HB      ASP  66  10.470   2.515  -6.742
  659   2HB   ASP  66           3HB      ASP  66  10.002   2.907  -5.098
  660    QB   ASP  66           QB       ASP  66  10.236   2.711  -5.919
  661    H    PHE  67           HN       PHE  67   8.484   2.237  -3.739
  662    HA   PHE  67           HA       PHE  67   9.424   0.996  -1.518
  663   1HB   PHE  67           2HB      PHE  67   7.759   2.847  -1.461
  664   2HB   PHE  67           3HB      PHE  67   6.483   1.700  -1.858
  665    HD1  PHE  67          2HD       PHE  67   9.024   2.602   0.701
  666    HD2  PHE  67          1HD       PHE  67   5.597   0.209  -0.159
  667    HE1  PHE  67          2HE       PHE  67   8.884   1.948   3.062
  668    HE2  PHE  67          1HE       PHE  67   5.486  -0.464   2.202
  669    HZ   PHE  67           HZ       PHE  67   7.112   0.405   3.812
  670    QB   PHE  67           QB       PHE  67   7.122   2.273  -1.659
  671    QR   PHE  67           QR       PHE  67   7.248   1.074   1.451
  672    H    LEU  68           HN       LEU  68   6.448  -0.134  -3.101
  673    HA   LEU  68           HA       LEU  68   5.814  -2.402  -1.665
  674   1HB   LEU  68           2HB      LEU  68   5.961  -2.392  -4.695
  675   2HB   LEU  68           3HB      LEU  68   4.924  -3.410  -3.701
  676    HG   LEU  68           HG       LEU  68   4.794  -0.382  -3.950
  677   1HD1  LEU  68           2HD      LEU  68   3.833  -1.662  -5.830
  678   2HD1  LEU  68           3HD      LEU  68   2.808  -2.547  -4.699
  679   3HD1  LEU  68           1HD      LEU  68   2.595  -0.811  -4.916
  680   1HD2  LEU  68           1HD      LEU  68   3.127  -2.253  -2.231
  681   2HD2  LEU  68           2HD      LEU  68   4.301  -1.089  -1.622
  682   3HD2  LEU  68           3HD      LEU  68   2.850  -0.525  -2.431
  683    QB   LEU  68           QB       LEU  68   5.442  -2.901  -4.197
  684    QD1  LEU  68           QD1      LEU  68   3.078  -1.673  -5.148
  685    QD2  LEU  68           QD2      LEU  68   3.426  -1.289  -2.095
  686    QQD  LEU  68           QQD      LEU  68   3.252  -1.481  -3.621
  687    H    GLU  69           HN       GLU  69   8.452  -2.198  -3.944
  688    HA   GLU  69           HA       GLU  69   9.170  -5.027  -3.601
  689   1HB   GLU  69           2HB      GLU  69   9.437  -3.477  -5.731
  690   2HB   GLU  69           3HB      GLU  69  10.906  -2.937  -4.934
  691   1HG   GLU  69           2HG      GLU  69  11.743  -4.753  -6.121
  692   2HG   GLU  69           3HG      GLU  69  11.297  -5.563  -4.626
  693    QB   GLU  69           QB       GLU  69  10.172  -3.207  -5.333
  694    QG   GLU  69           QG       GLU  69  11.520  -5.158  -5.374
  695    H    GLN  70           HN       GLN  70  10.581  -1.856  -2.980
  696    HA   GLN  70           HA       GLN  70  12.977  -2.333  -1.778
  697   1HB   GLN  70           2HB      GLN  70  10.811  -0.532  -0.628
  698   2HB   GLN  70           3HB      GLN  70  12.515  -0.443  -0.211
  699   1HG   GLN  70           2HG      GLN  70  11.363  -0.026  -2.994
  700   2HG   GLN  70           3HG      GLN  70  11.993   1.234  -1.946
  701   1HE2  GLN  70           2HE      GLN  70  14.527  -0.801  -4.255
  702   2HE2  GLN  70           1HE      GLN  70  12.839  -0.806  -4.470
  703    QB   GLN  70           QB       GLN  70  11.663  -0.487  -0.419
  704    QG   GLN  70           QG       GLN  70  11.678   0.604  -2.470
  705    QE2  GLN  70           QE2      GLN  70  13.683  -0.803  -4.363
  706    H    ASN  71           HN       ASN  71   9.869  -2.820  -0.130
  707    HA   ASN  71           HA       ASN  71  11.372  -4.308   1.945
  708   1HB   ASN  71           2HB      ASN  71   9.589  -3.710   3.474
  709   2HB   ASN  71           3HB      ASN  71  10.291  -2.268   2.804
  710   1HD2  ASN  71           2HD      ASN  71   7.254  -1.749   0.763
  711   2HD2  ASN  71           1HD      ASN  71   8.924  -1.759   0.498
  712    QB   ASN  71           QB       ASN  71   9.940  -2.990   3.140
  713    QD2  ASN  71           QD2      ASN  71   8.089  -1.755   0.631
  714    H    GLU  72           HN       GLU  72  10.903  -5.741  -0.192
  715    HA   GLU  72           HA       GLU  72   9.558  -7.460  -1.168
  716   1HB   GLU  72           2HB      GLU  72  10.119  -8.511   1.621
  717   2HB   GLU  72           3HB      GLU  72  10.005  -9.447   0.142
  718   1HG   GLU  72           2HG      GLU  72  12.109  -7.291   0.495
  719   2HG   GLU  72           3HG      GLU  72  12.379  -8.948   1.008
  720    QB   GLU  72           QB       GLU  72  10.062  -8.979   0.882
  721    QG   GLU  72           QG       GLU  72  12.244  -8.119   0.751
  722    H    LEU  73           HN       LEU  73   7.425  -6.016  -0.857
  723    HA   LEU  73           HA       LEU  73   5.671  -7.252   1.187
  724   1HB   LEU  73           2HB      LEU  73   5.260  -5.022  -0.835
  725   2HB   LEU  73           3HB      LEU  73   3.984  -5.633   0.182
  726    HG   LEU  73           HG       LEU  73   6.573  -4.395   1.160
  727   1HD1  LEU  73           3HD      LEU  73   3.707  -3.378   1.254
  728   2HD1  LEU  73           1HD      LEU  73   5.069  -2.612   2.060
  729   3HD1  LEU  73           2HD      LEU  73   5.017  -2.691   0.302
  730   1HD2  LEU  73           1HD      LEU  73   4.170  -5.453   2.687
  731   2HD2  LEU  73           2HD      LEU  73   5.815  -6.088   2.755
  732   3HD2  LEU  73           3HD      LEU  73   5.461  -4.497   3.409
  733    QB   LEU  73           QB       LEU  73   4.622  -5.327  -0.326
  734    QD1  LEU  73           QD1      LEU  73   4.597  -2.893   1.205
  735    QD2  LEU  73           QD2      LEU  73   5.149  -5.346   2.950
  736    QQD  LEU  73           QQD      LEU  73   4.874  -4.120   2.077
  737    H    GLN  74           HN       GLN  74   3.607  -8.291   0.486
  738    HA   GLN  74           HA       GLN  74   4.176  -9.788  -2.032
  739   1HB   GLN  74           2HB      GLN  74   1.782 -10.363  -0.309
  740   2HB   GLN  74           3HB      GLN  74   2.765 -11.477  -1.241
  741   1HG   GLN  74           2HG      GLN  74   3.458 -10.182   1.416
  742   2HG   GLN  74           3HG      GLN  74   3.287 -11.890   1.069
  743   1HE2  GLN  74           2HE      GLN  74   6.893 -10.276   0.810
  744   2HE2  GLN  74           1HE      GLN  74   5.582  -9.633   1.672
  745    QB   GLN  74           QB       GLN  74   2.274 -10.920  -0.776
  746    QG   GLN  74           QG       GLN  74   3.373 -11.036   1.242
  747    QE2  GLN  74           QE2      GLN  74   6.238  -9.955   1.241
  748    OH   TYR  75           OH       TYR  75   6.526  -5.899  -7.524
  749    H    TYR  75           HN       TYR  75   3.499  -7.123  -2.325
  750    HA   TYR  75           HA       TYR  75   0.771  -6.549  -2.826
  751   1HB   TYR  75           2HB      TYR  75   1.508  -4.714  -4.223
  752   2HB   TYR  75           3HB      TYR  75   2.651  -4.851  -2.900
  753    HD1  TYR  75           HD1      TYR  75   4.759  -6.438  -3.425
  754    HD2  TYR  75           HD2      TYR  75   2.358  -4.566  -6.406
  755    HE1  TYR  75           HE1      TYR  75   6.564  -6.700  -5.031
  756    HE2  TYR  75           HE2      TYR  75   4.215  -4.782  -7.996
  757    HH   TYR  75           HH       TYR  75   7.347  -6.090  -7.035
  758    QB   TYR  75           QB       TYR  75   2.080  -4.783  -3.561
  759    QR   TYR  75           QR       TYR  75   4.474  -5.622  -5.714
  760    H    GLU  76           HN       GLU  76  -0.228  -6.254  -5.022
  761    HA   GLU  76           HA       GLU  76   0.577  -8.418  -6.913
  762   1HB   GLU  76           2HB      GLU  76  -1.154  -9.274  -5.372
  763   2HB   GLU  76           3HB      GLU  76  -2.182  -7.902  -5.735
  764   1HG   GLU  76           2HG      GLU  76  -1.345  -9.407  -8.134
  765   2HG   GLU  76           3HG      GLU  76  -2.319 -10.345  -7.005
  766    QB   GLU  76           QB       GLU  76  -1.667  -8.588  -5.554
  767    QG   GLU  76           QG       GLU  76  -1.831  -9.876  -7.570
  768    H    VAL  77           HN       VAL  77   0.302  -7.813  -9.081
  769    HA   VAL  77           HA       VAL  77  -1.080  -5.206  -9.621
  770    HB   VAL  77           HB       VAL  77   1.507  -5.999 -10.998
  771   1HG1  VAL  77           3HG      VAL  77   0.104  -3.326 -10.590
  772   2HG1  VAL  77           1HG      VAL  77   1.643  -3.545 -11.413
  773   3HG1  VAL  77           2HG      VAL  77   0.179  -4.235 -12.095
  774   1HG2  VAL  77           3HG      VAL  77   1.972  -5.865  -8.568
  775   2HG2  VAL  77           1HG      VAL  77   2.702  -4.513  -9.427
  776   3HG2  VAL  77           2HG      VAL  77   1.219  -4.274  -8.509
  777    QG1  VAL  77           QG1      VAL  77   0.642  -3.702 -11.366
  778    QG2  VAL  77           QG2      VAL  77   1.964  -4.884  -8.834
  779    QQG  VAL  77           QQG      VAL  77   1.304  -4.293 -10.100
  780    H    LEU  78           HN       LEU  78  -1.759  -8.035 -10.005
  781    HA   LEU  78           HA       LEU  78  -2.830  -9.423 -11.517
  782   1HB   LEU  78           2HB      LEU  78  -2.988  -6.946 -13.272
  783   2HB   LEU  78           3HB      LEU  78  -4.059  -8.336 -13.307
  784    HG   LEU  78           HG       LEU  78  -3.731  -6.555 -10.859
  785   1HD1  LEU  78           1HD      LEU  78  -4.616  -5.252 -12.772
  786   2HD1  LEU  78           2HD      LEU  78  -5.857  -6.473 -13.031
  787   3HD1  LEU  78           3HD      LEU  78  -5.861  -5.513 -11.557
  788   1HD2  LEU  78           2HD      LEU  78  -4.619  -8.850 -10.460
  789   2HD2  LEU  78           3HD      LEU  78  -5.844  -7.626 -10.166
  790   3HD2  LEU  78           1HD      LEU  78  -5.878  -8.564 -11.655
  791    QB   LEU  78           QB       LEU  78  -3.523  -7.641 -13.290
  792    QD1  LEU  78           QD1      LEU  78  -5.444  -5.746 -12.454
  793    QD2  LEU  78           QD2      LEU  78  -5.447  -8.346 -10.761
  794    QQD  LEU  78           QQD      LEU  78  -5.446  -7.046 -11.607
  795    H    ILE  79           HN       ILE  79  -1.182  -7.258 -13.769
  796    HA   ILE  79           HA       ILE  79   0.240  -9.541 -14.931
  797    HB   ILE  79           HB       ILE  79   0.007  -8.221 -16.983
  798   1HG1  ILE  79           2HG      ILE  79  -1.699  -6.321 -15.390
  799   2HG1  ILE  79           3HG      ILE  79  -0.060  -5.968 -15.919
  800   1HG2  ILE  79           2HG      ILE  79  -1.715  -9.896 -16.404
  801   2HG2  ILE  79           3HG      ILE  79  -2.617  -8.649 -15.551
  802   3HG2  ILE  79           1HG      ILE  79  -2.425  -8.560 -17.297
  803   1HD1  ILE  79           3HD      ILE  79  -0.773  -6.292 -18.288
  804   2HD1  ILE  79           1HD      ILE  79  -2.421  -6.586 -17.740
  805   3HD1  ILE  79           2HD      ILE  79  -1.683  -5.010 -17.499
  806    QG1  ILE  79           QG1      ILE  79  -0.880  -6.144 -15.654
  807    QG2  ILE  79           QG2      ILE  79  -2.252  -9.035 -16.417
  808    QD1  ILE  79           QD1      ILE  79  -1.626  -5.962 -17.842
  809    H    ASN  80           HN       ASN  80   1.614  -7.523 -16.599
  810    HA   ASN  80           HA       ASN  80   3.106  -5.502 -15.632
  811   1HB   ASN  80           2HB      ASN  80   3.796  -6.439 -13.564
  812   2HB   ASN  80           3HB      ASN  80   3.985  -8.048 -14.246
  813   1HD2  ASN  80           2HD      ASN  80   7.401  -7.564 -14.721
  814   2HD2  ASN  80           1HD      ASN  80   6.124  -8.611 -14.350
  815    QB   ASN  80           QB       ASN  80   3.890  -7.243 -13.905
  816    QD2  ASN  80           QD2      ASN  80   6.762  -8.087 -14.536
  817    H    ASN  81           HN       ASN  81   3.635  -8.807 -16.594
  818    HA   ASN  81           HA       ASN  81   5.060  -7.911 -19.054
  819   1HB   ASN  81           2HB      ASN  81   5.703 -10.356 -17.346
  820   2HB   ASN  81           3HB      ASN  81   6.481  -9.948 -18.868
  821   1HD2  ASN  81                 ASN  81   7.565  -6.814 -16.806
  822   2HD2  ASN  81           1HD      ASN  81   6.197  -6.948 -17.793
  823    QB   ASN  81           QB       ASN  81   6.092 -10.152 -18.107
  824    QD2  ASN  81           QD2      ASN  81   6.881  -6.881 -17.300
   
  Start of MODEL           4
 Raw file had 824 H/Q atoms
  Start of MODEL    4
    1   1H    HIS   1           HN3      HIS   1  18.734  -2.202 -24.045
    2   2H    HIS   1           HN1      HIS   1  19.412  -1.046 -25.019
    3   3H    HIS   1           HN2      HIS   1  20.228  -1.586 -23.683
    4    HA   HIS   1           HA       HIS   1  19.318  -0.066 -22.405
    5   1HB   HIS   1           2HB      HIS   1  17.903   1.678 -23.486
    6   2HB   HIS   1           3HB      HIS   1  19.398   1.388 -24.331
    7    HD1  HIS   1           HD1      HIS   1  15.778   0.508 -24.569
    8    HD2  HIS   1           HD2      HIS   1  19.062   0.730 -27.064
    9    HE1  HIS   1           HE1      HIS   1  14.955   0.029 -26.894
   10    QB   HIS   1           QB       HIS   1  18.651   1.534 -23.908
   11    H    HIS   2           HN       HIS   2  16.799   0.937 -22.065
   12    HA   HIS   2           HA       HIS   2  15.226  -1.537 -21.493
   13   1HB   HIS   2           2HB      HIS   2  14.038   0.261 -19.949
   14   2HB   HIS   2           3HB      HIS   2  15.533  -0.495 -19.463
   15    HD1  HIS   2           HD1      HIS   2  14.691   2.487 -21.575
   16    HD2  HIS   2           HD2      HIS   2  17.285   1.496 -18.537
   17    HE1  HIS   2           HE1      HIS   2  16.169   4.486 -21.218
   18    QB   HIS   2           QB       HIS   2  14.785  -0.118 -19.706
   19    H    SER   3           HN       SER   3  12.773  -0.797 -21.183
   20    HA   SER   3           HA       SER   3  11.903   0.456 -23.763
   21   1HB   SER   3           2HB      SER   3  11.303  -1.963 -23.588
   22   2HB   SER   3           3HB      SER   3  10.486  -1.650 -22.048
   23    HG   SER   3           HG       SER   3   8.811  -1.046 -23.186
   24    QB   SER   3           QB       SER   3  10.894  -1.806 -22.818
   25    H    GLY   4           HN       GLY   4   9.412   1.041 -23.368
   26   1HA   GLY   4           1HA      GLY   4   9.303   2.765 -20.912
   27   2HA   GLY   4           2HA      GLY   4   8.680   3.297 -22.472
   28    QA   GLY   4           QA       GLY   4   8.992   3.031 -21.692
   29    H    GLU   5           HN       GLU   5   6.749   3.531 -20.892
   30    HA   GLU   5           HA       GLU   5   5.246   0.948 -20.757
   31   1HB   GLU   5           2HB      GLU   5   4.777   3.520 -19.189
   32   2HB   GLU   5           3HB      GLU   5   3.931   1.994 -18.959
   33   1HG   GLU   5           2HG      GLU   5   6.046   0.898 -18.283
   34   2HG   GLU   5           3HG      GLU   5   6.928   2.395 -18.555
   35    QB   GLU   5           QB       GLU   5   4.354   2.757 -19.074
   36    QG   GLU   5           QG       GLU   5   6.487   1.646 -18.419
   37    H    HIS   6           HN       HIS   6   2.858   1.254 -21.005
   38    HA   HIS   6           HA       HIS   6   2.309   3.133 -23.284
   39   1HB   HIS   6           2HB      HIS   6   2.062   0.605 -23.579
   40   2HB   HIS   6           3HB      HIS   6   0.721   0.683 -22.473
   41    HD1  HIS   6           HD1      HIS   6  -0.823   2.990 -23.436
   42    HD2  HIS   6           HD2      HIS   6   0.930   0.417 -26.129
   43    HE1  HIS   6           HE1      HIS   6  -2.149   3.173 -25.566
   44    QB   HIS   6           QB       HIS   6   1.392   0.644 -23.026
   45    H    PHE   7           HN       PHE   7   1.609   2.347 -20.064
   46    HA   PHE   7           HA       PHE   7  -0.802   4.113 -20.048
   47   1HB   PHE   7           2HB      PHE   7   0.177   2.003 -18.091
   48   2HB   PHE   7           3HB      PHE   7  -1.138   3.107 -17.739
   49    HD1  PHE   7          1HD       PHE   7  -0.116   0.895 -20.587
   50    HD2  PHE   7          2HD       PHE   7  -3.294   2.234 -18.114
   51    HE1  PHE   7          1HE       PHE   7  -1.640  -0.643 -21.725
   52    HE2  PHE   7          2HE       PHE   7  -4.827   0.719 -19.268
   53    HZ   PHE   7           HZ       PHE   7  -4.007  -0.732 -21.069
   54    QB   PHE   7           QB       PHE   7  -0.481   2.555 -17.914
   55    QR   PHE   7           QR       PHE   7  -2.470   0.801 -19.924
   56    H    GLU   8           HN       GLU   8   1.018   5.705 -20.400
   57    HA   GLU   8           HA       GLU   8   2.826   6.403 -18.278
   58   1HB   GLU   8           2HB      GLU   8   1.727   7.917 -20.665
   59   2HB   GLU   8           3HB      GLU   8   2.795   8.699 -19.510
   60   1HG   GLU   8           2HG      GLU   8   4.513   6.947 -19.911
   61   2HG   GLU   8           3HG      GLU   8   3.447   6.172 -21.076
   62    QB   GLU   8           QB       GLU   8   2.261   8.308 -20.088
   63    QG   GLU   8           QG       GLU   8   3.980   6.560 -20.493
   64    H    GLY   9           HN       GLY   9   1.277   6.123 -16.538
   65   1HA   GLY   9           1HA      GLY   9   0.646   7.884 -14.809
   66   2HA   GLY   9           2HA      GLY   9  -0.369   8.583 -16.065
   67    QA   GLY   9           QA       GLY   9   0.138   8.233 -15.437
   68    H    GLU  10           HN       GLU  10  -1.426   6.211 -17.157
   69    HA   GLU  10           HA       GLU  10  -3.502   5.679 -15.166
   70   1HB   GLU  10           2HB      GLU  10  -3.907   5.955 -17.657
   71   2HB   GLU  10           3HB      GLU  10  -3.151   4.384 -17.894
   72   1HG   GLU  10           2HG      GLU  10  -4.888   3.580 -16.074
   73   2HG   GLU  10           3HG      GLU  10  -5.753   5.048 -16.512
   74    QB   GLU  10           QB       GLU  10  -3.529   5.169 -17.775
   75    QG   GLU  10           QG       GLU  10  -5.320   4.315 -16.293
   76    H    LYS  11           HN       LYS  11  -1.924   4.667 -13.628
   77    HA   LYS  11           HA       LYS  11  -1.674   1.743 -14.251
   78   1HB   LYS  11           2HB      LYS  11   0.238   3.229 -12.452
   79   2HB   LYS  11           3HB      LYS  11   0.410   1.619 -13.117
   80   1HG   LYS  11           2HG      LYS  11   0.490   2.664 -15.439
   81   2HG   LYS  11           3HG      LYS  11   0.543   4.239 -14.656
   82   1HD   LYS  11           2HD      LYS  11   2.838   3.706 -14.991
   83   2HD   LYS  11           3HD      LYS  11   2.549   3.309 -13.308
   84   1HE   LYS  11           2HE      LYS  11   3.468   1.292 -13.842
   85   2HE   LYS  11           3HE      LYS  11   1.880   0.928 -14.506
   86   1HZ   LYS  11           1HZ      LYS  11   3.337   2.354 -16.449
   87   2HZ   LYS  11           2HZ      LYS  11   4.316   1.111 -15.842
   88   3HZ   LYS  11           3HZ      LYS  11   2.798   0.711 -16.500
   89    QB   LYS  11           QB       LYS  11   0.323   2.424 -12.785
   90    QG   LYS  11           QG       LYS  11   0.516   3.452 -15.047
   91    QD   LYS  11           QD       LYS  11   2.694   3.507 -14.150
   92    QE   LYS  11           QE       LYS  11   2.675   1.109 -14.174
   93    QZ   LYS  11           QZ       LYS  11   3.483   1.392 -16.264
   94    H    VAL  12           HN       VAL  12  -2.409   0.398 -12.623
   95    HA   VAL  12           HA       VAL  12  -3.206   1.704 -10.055
   96    HB   VAL  12           HB       VAL  12  -4.901  -0.359 -11.506
   97   1HG1  VAL  12           1HG      VAL  12  -5.470   1.502  -9.166
   98   2HG1  VAL  12           2HG      VAL  12  -6.625   0.375  -9.869
   99   3HG1  VAL  12           3HG      VAL  12  -5.193  -0.231  -9.046
  100   1HG2  VAL  12           3HG      VAL  12  -4.852   1.762 -12.806
  101   2HG2  VAL  12           1HG      VAL  12  -6.434   1.470 -12.093
  102   3HG2  VAL  12           2HG      VAL  12  -5.339   2.633 -11.356
  103    QG1  VAL  12           QG1      VAL  12  -5.763   0.548  -9.360
  104    QG2  VAL  12           QG2      VAL  12  -5.542   1.955 -12.085
  105    QQG  VAL  12           QQG      VAL  12  -5.652   1.252 -10.723
  106    H    PHE  13           HN       PHE  13  -2.858   0.451  -8.261
  107    HA   PHE  13           HA       PHE  13  -2.194  -2.397  -8.504
  108   1HB   PHE  13           2HB      PHE  13  -0.036  -1.554  -6.984
  109   2HB   PHE  13           3HB      PHE  13   0.043  -2.053  -8.657
  110    HD1  PHE  13          1HD       PHE  13  -0.609   1.054  -6.608
  111    HD2  PHE  13          2HD       PHE  13   0.961  -0.595 -10.197
  112    HE1  PHE  13          1HE       PHE  13   0.441   3.212  -7.163
  113    HE2  PHE  13          2HE       PHE  13   1.949   1.558 -10.780
  114    HZ   PHE  13           HZ       PHE  13   1.932   3.381  -9.150
  115    QB   PHE  13           QB       PHE  13   0.003  -1.804  -7.820
  116    QR   PHE  13           QR       PHE  13   0.686   1.307  -8.687
  117    NH1  ARG  14           NH1      ARG  14  -6.453  -3.642  -6.559
  118    NH2  ARG  14           NH2      ARG  14  -8.027  -5.099  -5.779
  119    H    ARG  14           HN       ARG  14  -2.095  -3.446  -6.429
  120    HA   ARG  14           HA       ARG  14  -3.023  -1.824  -4.129
  121   1HB   ARG  14           2HB      ARG  14  -4.484  -3.638  -3.558
  122   2HB   ARG  14           3HB      ARG  14  -4.855  -3.180  -5.175
  123   1HG   ARG  14           2HG      ARG  14  -3.472  -5.088  -5.974
  124   2HG   ARG  14           3HG      ARG  14  -3.092  -5.511  -4.313
  125   1HD   ARG  14           2HD      ARG  14  -4.886  -6.949  -4.745
  126   2HD   ARG  14           3HD      ARG  14  -5.718  -5.575  -4.015
  127    HE   ARG  14           HE       ARG  14  -5.686  -6.284  -6.919
  128   1HH1  ARG  14           2HH      ARG  14  -5.508  -3.498  -6.847
  129   2HH1  ARG  14           1HH      ARG  14  -7.100  -2.871  -6.549
  130   1HH2  ARG  14           2HH      ARG  14  -8.263  -6.032  -5.496
  131   2HH2  ARG  14           1HH      ARG  14  -8.718  -4.365  -5.738
  132    QB   ARG  14           QB       ARG  14  -4.670  -3.409  -4.366
  133    QG   ARG  14           QG       ARG  14  -3.283  -5.300  -5.144
  134    QD   ARG  14           QD       ARG  14  -5.302  -6.262  -4.380
  135    QH1  ARG  14           QH1      ARG  14  -6.303  -3.184  -6.699
  136    QH2  ARG  14           QH2      ARG  14  -8.490  -5.198  -5.617
  137    H    VAL  15           HN       VAL  15  -2.706  -3.098  -2.078
  138    HA   VAL  15           HA       VAL  15  -0.143  -4.662  -2.212
  139    HB   VAL  15           HB       VAL  15  -1.177  -3.142   0.206
  140   1HG1  VAL  15           1HG      VAL  15   0.602  -4.850   0.563
  141   2HG1  VAL  15           2HG      VAL  15   1.607  -4.027  -0.625
  142   3HG1  VAL  15           3HG      VAL  15   1.202  -3.222   0.885
  143   1HG2  VAL  15           3HG      VAL  15  -0.922  -1.526  -1.660
  144   2HG2  VAL  15           1HG      VAL  15   0.314  -1.266  -0.439
  145   3HG2  VAL  15           2HG      VAL  15   0.711  -2.100  -1.937
  146    QG1  VAL  15           QG1      VAL  15   1.137  -4.033   0.274
  147    QG2  VAL  15           QG2      VAL  15   0.034  -1.631  -1.346
  148    QQG  VAL  15           QQG      VAL  15   0.585  -2.831  -0.535
  149    H    ASN  16           HN       ASN  16  -0.162  -6.600  -0.831
  150    HA   ASN  16           HA       ASN  16  -2.926  -7.329   0.025
  151   1HB   ASN  16           2HB      ASN  16  -0.603  -9.045  -0.887
  152   2HB   ASN  16           3HB      ASN  16  -2.022  -9.704  -0.107
  153   1HD2  ASN  16           2HD      ASN  16  -2.336  -8.229  -3.907
  154   2HD2  ASN  16           1HD      ASN  16  -0.979  -7.841  -2.957
  155    QB   ASN  16           QB       ASN  16  -1.313  -9.375  -0.497
  156    QD2  ASN  16           QD2      ASN  16  -1.657  -8.035  -3.431
  157    H    VAL  17           HN       VAL  17  -3.047  -8.654   1.924
  158    HA   VAL  17           HA       VAL  17  -0.822  -8.226   3.834
  159    HB   VAL  17           HB       VAL  17  -3.744  -7.924   4.608
  160   1HG1  VAL  17           2HG      VAL  17  -1.994  -8.499   6.332
  161   2HG1  VAL  17           3HG      VAL  17  -1.163  -7.012   5.913
  162   3HG1  VAL  17           1HG      VAL  17  -2.778  -6.951   6.616
  163   1HG2  VAL  17           2HG      VAL  17  -3.156  -6.123   2.987
  164   2HG2  VAL  17           3HG      VAL  17  -3.391  -5.483   4.605
  165   3HG2  VAL  17           1HG      VAL  17  -1.759  -5.696   3.969
  166    QG1  VAL  17           QG1      VAL  17  -1.979  -7.487   6.288
  167    QG2  VAL  17           QG2      VAL  17  -2.769  -5.767   3.853
  168    QQG  VAL  17           QQG      VAL  17  -2.373  -6.628   5.071
  169    H    GLU  18           HN       GLU  18  -0.198 -10.219   4.242
  170    HA   GLU  18           HA       GLU  18  -2.281 -12.301   4.691
  171   1HB   GLU  18           2HB      GLU  18   0.491 -12.342   3.523
  172   2HB   GLU  18           3HB      GLU  18  -0.182 -13.798   4.235
  173   1HG   GLU  18           2HG      GLU  18  -1.984 -13.871   2.679
  174   2HG   GLU  18           3HG      GLU  18  -1.814 -12.169   2.273
  175    QB   GLU  18           QB       GLU  18   0.155 -13.070   3.879
  176    QG   GLU  18           QG       GLU  18  -1.899 -13.019   2.476
  177    H    ASP  19           HN       ASP  19   0.414 -10.542   5.971
  178    HA   ASP  19           HA       ASP  19  -0.117 -11.833   8.591
  179   1HB   ASP  19           2HB      ASP  19   1.809 -12.967   8.110
  180   2HB   ASP  19           3HB      ASP  19   2.566 -11.680   7.222
  181    QB   ASP  19           QB       ASP  19   2.187 -12.323   7.666
  182    H    GLU  20           HN       GLU  20   1.258 -10.634  10.173
  183    HA   GLU  20           HA       GLU  20   0.103  -7.973  10.327
  184   1HB   GLU  20           2HB      GLU  20   2.075  -9.448  12.125
  185   2HB   GLU  20           3HB      GLU  20   1.146  -8.037  12.557
  186   1HG   GLU  20           2HG      GLU  20  -0.255 -10.534  11.605
  187   2HG   GLU  20           3HG      GLU  20   0.201 -10.351  13.287
  188    QB   GLU  20           QB       GLU  20   1.610  -8.743  12.341
  189    QG   GLU  20           QG       GLU  20  -0.028 -10.443  12.446
  190    H    ASN  21           HN       ASN  21   3.292  -9.277   9.667
  191    HA   ASN  21           HA       ASN  21   4.866  -6.925   9.940
  192   1HB   ASN  21           2HB      ASN  21   6.070  -8.908   9.404
  193   2HB   ASN  21           3HB      ASN  21   5.008  -9.296   8.057
  194   1HD2  ASN  21           2HD      ASN  21   6.812  -7.369   5.736
  195   2HD2  ASN  21           1HD      ASN  21   5.505  -8.431   6.014
  196    QB   ASN  21           QB       ASN  21   5.540  -9.102   8.730
  197    QD2  ASN  21           QD2      ASN  21   6.159  -7.899   5.874
  198    H    ASP  22           HN       ASP  22   3.451  -8.242   7.053
  199    HA   ASP  22           HA       ASP  22   3.785  -6.363   5.095
  200   1HB   ASP  22           2HB      ASP  22   1.020  -7.526   5.617
  201   2HB   ASP  22           3HB      ASP  22   1.779  -7.227   4.067
  202    QB   ASP  22           QB       ASP  22   1.399  -7.376   4.842
  203    H    ILE  23           HN       ILE  23   1.259  -6.331   7.566
  204    HA   ILE  23           HA       ILE  23   0.095  -3.856   6.756
  205    HB   ILE  23           HB       ILE  23   0.281  -5.039   9.564
  206   1HG1  ILE  23           2HG      ILE  23  -1.742  -5.357   7.318
  207   2HG1  ILE  23           3HG      ILE  23  -0.620  -6.595   7.870
  208   1HG2  ILE  23           2HG      ILE  23  -0.428  -2.616   9.418
  209   2HG2  ILE  23           3HG      ILE  23  -1.723  -3.100   8.324
  210   3HG2  ILE  23           1HG      ILE  23  -1.719  -3.664   9.990
  211   1HD1  ILE  23           2HD      ILE  23  -1.683  -6.565  10.095
  212   2HD1  ILE  23           3HD      ILE  23  -2.846  -5.377   9.507
  213   3HD1  ILE  23           1HD      ILE  23  -2.810  -6.995   8.817
  214    QG1  ILE  23           QG1      ILE  23  -1.181  -5.976   7.594
  215    QG2  ILE  23           QG2      ILE  23  -1.290  -3.127   9.243
  216    QD1  ILE  23           QD1      ILE  23  -2.447  -6.312   9.473
  217    H    SER  24           HN       SER  24   2.401  -4.472   9.450
  218    HA   SER  24           HA       SER  24   3.117  -1.893  10.162
  219   1HB   SER  24           2HB      SER  24   5.272  -3.948   9.487
  220   2HB   SER  24           3HB      SER  24   5.313  -2.708  10.750
  221    HG   SER  24           HG       SER  24   4.164  -5.174  10.768
  222    QB   SER  24           QB       SER  24   5.293  -3.328  10.119
  223    H    GLU  25           HN       GLU  25   4.614  -3.671   7.526
  224    HA   GLU  25           HA       GLU  25   6.225  -1.643   6.421
  225   1HB   GLU  25           2HB      GLU  25   4.869  -4.009   5.075
  226   2HB   GLU  25           3HB      GLU  25   6.235  -3.143   4.421
  227   1HG   GLU  25           2HG      GLU  25   7.111  -3.749   6.990
  228   2HG   GLU  25           3HG      GLU  25   6.168  -5.172   6.559
  229    QB   GLU  25           QB       GLU  25   5.553  -3.576   4.747
  230    QG   GLU  25           QG       GLU  25   6.640  -4.461   6.774
  231    H    LEU  26           HN       LEU  26   2.896  -2.566   5.220
  232    HA   LEU  26           HA       LEU  26   3.048  -0.444   3.278
  233   1HB   LEU  26           2HB      LEU  26   1.474  -2.226   2.846
  234   2HB   LEU  26           3HB      LEU  26   0.744  -2.050   4.434
  235    HG   LEU  26           HG       LEU  26  -0.053   0.157   3.881
  236   1HD1  LEU  26           1HD      LEU  26   1.193  -0.309   1.141
  237   2HD1  LEU  26           2HD      LEU  26   0.163   1.056   1.558
  238   3HD1  LEU  26           3HD      LEU  26   1.732   0.881   2.319
  239   1HD2  LEU  26           2HD      LEU  26  -1.478  -1.771   3.277
  240   2HD2  LEU  26           3HD      LEU  26  -1.717  -0.443   2.145
  241   3HD2  LEU  26           1HD      LEU  26  -0.730  -1.827   1.689
  242    QB   LEU  26           QB       LEU  26   1.109  -2.138   3.640
  243    QD1  LEU  26           QD1      LEU  26   1.030   0.543   1.673
  244    QD2  LEU  26           QD2      LEU  26  -1.308  -1.347   2.370
  245    QQD  LEU  26           QQD      LEU  26  -0.140  -0.402   2.021
  246    H    HIS  27           HN       HIS  27   1.512  -0.816   6.436
  247    HA   HIS  27           HA       HIS  27   0.266   1.600   6.878
  248   1HB   HIS  27           2HB      HIS  27   1.603  -0.365   8.549
  249   2HB   HIS  27           3HB      HIS  27   1.855   1.226   9.191
  250    HD1  HIS  27           HD1      HIS  27   0.028   2.154  10.482
  251    HD2  HIS  27           HD2      HIS  27  -1.340  -0.974   8.180
  252    HE1  HIS  27           HE1      HIS  27  -2.387   1.786  11.127
  253    QB   HIS  27           QB       HIS  27   1.729   0.431   8.869
  254    H    GLU  28           HN       GLU  28   3.684   0.980   7.383
  255    HA   GLU  28           HA       GLU  28   4.811   3.298   8.191
  256   1HB   GLU  28           2HB      GLU  28   5.643   0.998   6.915
  257   2HB   GLU  28           3HB      GLU  28   6.100   2.197   5.740
  258   1HG   GLU  28           2HG      GLU  28   8.011   2.047   7.140
  259   2HG   GLU  28           3HG      GLU  28   7.167   3.436   7.818
  260    QB   GLU  28           QB       GLU  28   5.872   1.597   6.328
  261    QG   GLU  28           QG       GLU  28   7.589   2.742   7.479
  262    H    LEU  29           HN       LEU  29   3.759   2.675   4.888
  263    HA   LEU  29           HA       LEU  29   4.469   5.052   3.582
  264   1HB   LEU  29           2HB      LEU  29   3.623   3.126   2.380
  265   2HB   LEU  29           3HB      LEU  29   2.092   3.202   3.224
  266    HG   LEU  29           HG       LEU  29   1.563   5.348   2.127
  267   1HD1  LEU  29           3HD      LEU  29   4.176   4.887   0.635
  268   2HD1  LEU  29           1HD      LEU  29   3.003   6.152   0.275
  269   3HD1  LEU  29           2HD      LEU  29   3.880   6.176   1.800
  270   1HD2  LEU  29           3HD      LEU  29   2.415   3.127   0.227
  271   2HD2  LEU  29           1HD      LEU  29   0.878   3.214   1.080
  272   3HD2  LEU  29           2HD      LEU  29   1.264   4.402  -0.155
  273    QB   LEU  29           QB       LEU  29   2.857   3.164   2.802
  274    QD1  LEU  29           QD1      LEU  29   3.686   5.738   0.903
  275    QD2  LEU  29           QD2      LEU  29   1.519   3.581   0.384
  276    QQD  LEU  29           QQD      LEU  29   2.603   4.660   0.643
  277    H    ALA  30           HN       ALA  30   1.502   4.360   5.377
  278    HA   ALA  30           HA       ALA  30  -0.176   6.471   4.964
  279   1HB   ALA  30           3HB      ALA  30  -0.540   4.769   6.730
  280   2HB   ALA  30           1HB      ALA  30   0.715   5.517   7.714
  281   3HB   ALA  30           2HB      ALA  30  -0.779   6.390   7.378
  282    QB   ALA  30           QB       ALA  30  -0.201   5.559   7.274
  283    H    SER  31           HN       SER  31   2.512   6.653   7.249
  284    HA   SER  31           HA       SER  31   2.532   9.248   8.102
  285   1HB   SER  31           2HB      SER  31   5.081   8.039   6.974
  286   2HB   SER  31           3HB      SER  31   4.868   8.979   8.465
  287    HG   SER  31           HG       SER  31   4.444   6.301   7.992
  288    QB   SER  31           QB       SER  31   4.975   8.509   7.720
  289    H    THR  32           HN       THR  32   3.802   8.142   5.018
  290    HA   THR  32           HA       THR  32   3.774  10.954   3.996
  291    HB   THR  32           HB       THR  32   5.448  10.003   2.267
  292    HG1  THR  32          1HG       THR  32   4.570   7.804   3.040
  293   1HG2  THR  32           3HG      THR  32   6.274  11.172   4.379
  294   2HG2  THR  32           1HG      THR  32   6.266   9.609   5.186
  295   3HG2  THR  32           2HG      THR  32   7.354   9.894   3.833
  296    QG2  THR  32           QG2      THR  32   6.631  10.225   4.466
  297    NH1  ARG  33           NH2      ARG  33  -4.629   9.508   0.595
  298    NH2  ARG  33           NH1      ARG  33  -6.369   8.301   1.432
  299    H    ARG  33           HN       ARG  33   1.416   9.856   4.111
  300    HA   ARG  33           HA       ARG  33   0.722   8.230   1.822
  301   1HB   ARG  33           2HB      ARG  33  -0.584   8.463   4.022
  302   2HB   ARG  33           3HB      ARG  33  -1.197   9.976   3.384
  303   1HG   ARG  33           2HG      ARG  33  -1.811   8.514   1.274
  304   2HG   ARG  33           3HG      ARG  33  -1.644   7.163   2.385
  305   1HD   ARG  33           2HD      ARG  33  -3.312   8.119   3.894
  306   2HD   ARG  33           3HD      ARG  33  -3.414   9.576   2.904
  307    HE   ARG  33           HE       ARG  33  -4.275   6.858   1.949
  308   1HH1  ARG  33           2HH      ARG  33  -3.633   9.675   0.546
  309   2HH1  ARG  33           1HH      ARG  33  -5.255  10.054   0.022
  310   1HH2  ARG  33           2HH      ARG  33  -6.704   7.599   2.064
  311   2HH2  ARG  33           1HH      ARG  33  -7.018   8.804   0.843
  312    QB   ARG  33           QB       ARG  33  -0.890   9.219   3.702
  313    QG   ARG  33           QG       ARG  33  -1.728   7.838   1.829
  314    QD   ARG  33           QD       ARG  33  -3.363   8.848   3.400
  315    QH1  ARG  33           QH2      ARG  33  -4.443   9.864   0.284
  316    QH2  ARG  33           QH1      ARG  33  -6.861   8.201   1.453
  317    H    GLN  34           HN       GLN  34   2.113  10.104   0.568
  318    HA   GLN  34           HA       GLN  34   0.666  12.430  -0.325
  319   1HB   GLN  34           2HB      GLN  34   3.058  12.262  -0.835
  320   2HB   GLN  34           3HB      GLN  34   2.829  10.737  -1.674
  321   1HG   GLN  34           2HG      GLN  34   1.280  13.073  -2.735
  322   2HG   GLN  34           3HG      GLN  34   3.022  13.107  -2.983
  323   1HE2  GLN  34           2HE      GLN  34   2.616  10.993  -5.802
  324   2HE2  GLN  34           1HE      GLN  34   3.280  12.425  -5.177
  325    QB   GLN  34           QB       GLN  34   2.943  11.499  -1.254
  326    QG   GLN  34           QG       GLN  34   2.151  13.090  -2.859
  327    QE2  GLN  34           QE2      GLN  34   2.948  11.709  -5.490
  328    H    ILE  35           HN       ILE  35   0.921   9.140  -1.209
  329    HA   ILE  35           HA       ILE  35  -0.745   9.005  -3.487
  330    HB   ILE  35           HB       ILE  35  -0.961   6.554  -2.799
  331   1HG1  ILE  35           2HG      ILE  35   0.901   6.255  -0.804
  332   2HG1  ILE  35           3HG      ILE  35   0.110   7.732  -0.294
  333   1HG2  ILE  35           3HG      ILE  35   0.956   7.281  -4.147
  334   2HG2  ILE  35           1HG      ILE  35   1.839   7.687  -2.676
  335   3HG2  ILE  35           2HG      ILE  35   1.394   6.012  -3.009
  336   1HD1  ILE  35           3HD      ILE  35  -1.298   5.139  -0.962
  337   2HD1  ILE  35           1HD      ILE  35  -1.003   5.754   0.662
  338   3HD1  ILE  35           2HD      ILE  35  -2.092   6.612  -0.426
  339    QG1  ILE  35           QG1      ILE  35   0.505   6.994  -0.549
  340    QG2  ILE  35           QG2      ILE  35   1.396   6.993  -3.277
  341    QD1  ILE  35           QD1      ILE  35  -1.464   5.836  -0.243
  342    H    ASP  36           HN       ASP  36  -2.754   7.501  -3.406
  343    HA   ASP  36           HA       ASP  36  -4.451   8.307  -1.121
  344   1HB   ASP  36           2HB      ASP  36  -4.912   9.712  -3.227
  345   2HB   ASP  36           3HB      ASP  36  -5.516   8.223  -3.942
  346    QB   ASP  36           QB       ASP  36  -5.214   8.967  -3.585
  347    H    PHE  37           HN       PHE  37  -6.269   6.990  -0.791
  348    HA   PHE  37           HA       PHE  37  -5.759   4.185  -1.708
  349   1HB   PHE  37           2HB      PHE  37  -7.242   5.160   0.764
  350   2HB   PHE  37           3HB      PHE  37  -6.947   3.479   0.340
  351    HD1  PHE  37          2HD       PHE  37  -4.016   3.792  -0.625
  352    HD2  PHE  37          1HD       PHE  37  -6.072   5.247   2.813
  353    HE1  PHE  37          2HE       PHE  37  -1.939   3.733   0.673
  354    HE2  PHE  37          1HE       PHE  37  -3.982   5.192   4.093
  355    HZ   PHE  37           HZ       PHE  37  -1.909   4.443   3.021
  356    QB   PHE  37           QB       PHE  37  -7.094   4.320   0.551
  357    QR   PHE  37           QR       PHE  37  -4.003   4.491   1.738
  358    CH2  TRP  38           CH2      TRP  38 -10.867   1.843  -9.174
  359    H    TRP  38           HN       TRP  38  -7.791   2.917  -1.927
  360    HA   TRP  38           HA       TRP  38 -10.013   4.638  -2.983
  361   1HB   TRP  38           2HB      TRP  38  -8.448   3.586  -4.665
  362   2HB   TRP  38           3HB      TRP  38  -8.971   2.031  -4.113
  363    HD1  TRP  38           HD1      TRP  38 -12.045   4.073  -4.244
  364    HE1  TRP  38           HE1      TRP  38 -13.263   3.781  -6.421
  365    HE3  TRP  38           HE3      TRP  38  -8.442   1.743  -6.792
  366    HZ2  TRP  38           HZ2      TRP  38 -12.803   2.720  -8.951
  367    HZ3  TRP  38           HZ3      TRP  38  -8.876   1.052  -9.131
  368    HH2  TRP  38           HH2      TRP  38 -11.042   1.536 -10.196
  369    QB   TRP  38           QB       TRP  38  -8.710   2.809  -4.389
  370    H    LYS  39           HN       LYS  39  -9.125   1.382  -1.973
  371    HA   LYS  39           HA       LYS  39 -11.716   1.118  -0.557
  372   1HB   LYS  39           2HB      LYS  39 -10.530  -1.007  -2.375
  373   2HB   LYS  39           3HB      LYS  39 -12.039  -1.138  -1.482
  374   1HG   LYS  39           2HG      LYS  39 -13.061   0.636  -2.792
  375   2HG   LYS  39           3HG      LYS  39 -11.538   1.026  -3.564
  376   1HD   LYS  39           2HD      LYS  39 -12.917  -1.662  -3.848
  377   2HD   LYS  39           3HD      LYS  39 -13.119  -0.347  -4.993
  378   1HE   LYS  39           2HE      LYS  39 -10.487  -1.691  -4.277
  379   2HE   LYS  39           3HE      LYS  39 -11.388  -1.946  -5.759
  380   1HZ   LYS  39           1HZ      LYS  39 -10.974   0.826  -5.464
  381   2HZ   LYS  39           2HZ      LYS  39  -9.480   0.040  -5.226
  382   3HZ   LYS  39           3HZ      LYS  39 -10.344  -0.222  -6.655
  383    QB   LYS  39           QB       LYS  39 -11.285  -1.072  -1.928
  384    QG   LYS  39           QG       LYS  39 -12.299   0.831  -3.177
  385    QD   LYS  39           QD       LYS  39 -13.018  -1.005  -4.421
  386    QE   LYS  39           QE       LYS  39 -10.937  -1.819  -5.018
  387    QZ   LYS  39           QZ       LYS  39 -10.266   0.215  -5.782
  388    HA   PRO  40           HA       PRO  40 -12.126   1.242   1.361
  389   1HB   PRO  40           2HB      PRO  40 -10.711   1.392   3.983
  390   2HB   PRO  40           3HB      PRO  40 -12.406   1.009   3.643
  391   1HG   PRO  40           2HG      PRO  40 -10.651  -0.915   4.406
  392   2HG   PRO  40           3HG      PRO  40 -11.946  -1.268   3.252
  393   1HD   PRO  40           2HD      PRO  40  -9.010  -0.777   2.712
  394   2HD   PRO  40           3HD      PRO  40 -10.118  -1.920   1.920
  395    QB   PRO  40           QB       PRO  40 -11.559   1.201   3.813
  396    QG   PRO  40           QG       PRO  40 -11.299  -1.091   3.829
  397    QD   PRO  40           QD       PRO  40  -9.564  -1.348   2.316
  398    H    ASP  41           HN       ASP  41 -11.652   3.295   3.150
  399    HA   ASP  41           HA       ASP  41 -10.107   5.159   1.498
  400   1HB   ASP  41           2HB      ASP  41 -10.981   6.847   3.078
  401   2HB   ASP  41           3HB      ASP  41 -12.277   5.824   2.485
  402    QB   ASP  41           QB       ASP  41 -11.629   6.335   2.781
  403    H    SER  42           HN       SER  42  -9.871   3.644   4.622
  404    HA   SER  42           HA       SER  42  -7.197   4.921   5.015
  405   1HB   SER  42           2HB      SER  42  -8.788   5.562   6.769
  406   2HB   SER  42           3HB      SER  42  -9.213   3.867   7.048
  407    HG   SER  42           HG       SER  42  -7.608   3.955   8.418
  408    QB   SER  42           QB       SER  42  -9.001   4.714   6.909
  409    H    VAL  43           HN       VAL  43  -6.009   3.480   6.668
  410    HA   VAL  43           HA       VAL  43  -5.938   0.662   5.672
  411    HB   VAL  43           HB       VAL  43  -4.027   2.016   4.835
  412   1HG1  VAL  43           1HG      VAL  43  -3.988   3.669   6.699
  413   2HG1  VAL  43           2HG      VAL  43  -3.376   2.419   7.781
  414   3HG1  VAL  43           3HG      VAL  43  -2.400   2.967   6.423
  415   1HG2  VAL  43           3HG      VAL  43  -3.647  -0.379   5.340
  416   2HG2  VAL  43           1HG      VAL  43  -2.197   0.562   5.674
  417   3HG2  VAL  43           2HG      VAL  43  -3.224   0.027   6.999
  418    QG1  VAL  43           QG1      VAL  43  -3.255   3.018   6.967
  419    QG2  VAL  43           QG2      VAL  43  -3.023   0.070   6.004
  420    QQG  VAL  43           QQG      VAL  43  -3.138   1.544   6.486
  421    H    THR  44           HN       THR  44  -5.903   2.877   8.291
  422    HA   THR  44           HA       THR  44  -4.879   1.606  10.499
  423    HB   THR  44           HB       THR  44  -6.874   2.675  11.766
  424    HG1  THR  44          1HG       THR  44  -8.506   3.184  10.511
  425   1HG2  THR  44           2HG      THR  44  -5.575   4.430   9.619
  426   2HG2  THR  44           3HG      THR  44  -6.291   4.994  11.123
  427   3HG2  THR  44           1HG      THR  44  -4.811   4.044  11.158
  428    QG2  THR  44           QG2      THR  44  -5.559   4.489  10.634
  429    H    GLN  45           HN       GLN  45  -8.010   0.981   9.071
  430    HA   GLN  45           HA       GLN  45  -8.499  -1.245  10.947
  431   1HB   GLN  45           2HB      GLN  45 -10.676  -1.261   9.278
  432   2HB   GLN  45           3HB      GLN  45 -10.558  -0.313  10.742
  433   1HG   GLN  45           2HG      GLN  45 -11.319   1.073   8.842
  434   2HG   GLN  45           3HG      GLN  45  -9.779   1.643   9.453
  435   1HE2  GLN  45           2HE      GLN  45  -9.318  -0.537   6.030
  436   2HE2  GLN  45           1HE      GLN  45 -10.091  -1.237   7.371
  437    QB   GLN  45           QB       GLN  45 -10.617  -0.787  10.010
  438    QG   GLN  45           QG       GLN  45 -10.548   1.358   9.148
  439    QE2  GLN  45           QE2      GLN  45  -9.704  -0.886   6.700
  440    H    ILE  46           HN       ILE  46  -6.368  -1.887   9.454
  441    HA   ILE  46           HA       ILE  46  -7.486  -3.994   7.631
  442    HB   ILE  46           HB       ILE  46  -4.912  -2.464   7.328
  443   1HG1  ILE  46           2HG      ILE  46  -6.903  -1.228   6.648
  444   2HG1  ILE  46           3HG      ILE  46  -5.753  -1.520   5.351
  445   1HG2  ILE  46           1HG      ILE  46  -5.955  -4.767   5.688
  446   2HG2  ILE  46           2HG      ILE  46  -4.552  -3.787   5.273
  447   3HG2  ILE  46           3HG      ILE  46  -4.527  -4.791   6.716
  448   1HD1  ILE  46           2HD      ILE  46  -8.197  -3.181   5.944
  449   2HD1  ILE  46           3HD      ILE  46  -8.047  -1.986   4.659
  450   3HD1  ILE  46           1HD      ILE  46  -7.060  -3.442   4.621
  451    QG1  ILE  46           QG1      ILE  46  -6.328  -1.374   6.000
  452    QG2  ILE  46           QG2      ILE  46  -5.011  -4.448   5.892
  453    QD1  ILE  46           QD1      ILE  46  -7.768  -2.869   5.075
  454    H    LYS  47           HN       LYS  47  -6.834  -6.010   7.988
  455    HA   LYS  47           HA       LYS  47  -4.586  -6.608   9.858
  456   1HB   LYS  47           2HB      LYS  47  -7.361  -6.884  10.473
  457   2HB   LYS  47           3HB      LYS  47  -6.741  -8.504  10.201
  458   1HG   LYS  47           2HG      LYS  47  -6.526  -7.858  12.584
  459   2HG   LYS  47           3HG      LYS  47  -4.946  -8.107  11.886
  460   1HD   LYS  47           2HD      LYS  47  -4.957  -5.524  11.461
  461   2HD   LYS  47           3HD      LYS  47  -6.281  -5.504  12.610
  462   1HE   LYS  47           2HE      LYS  47  -4.251  -5.144  13.869
  463   2HE   LYS  47           3HE      LYS  47  -4.785  -6.781  14.217
  464   1HZ   LYS  47           2HZ      LYS  47  -3.095  -6.887  11.968
  465   2HZ   LYS  47           3HZ      LYS  47  -2.324  -5.961  13.148
  466   3HZ   LYS  47           1HZ      LYS  47  -2.832  -7.541  13.504
  467    QB   LYS  47           QB       LYS  47  -7.051  -7.695  10.337
  468    QG   LYS  47           QG       LYS  47  -5.736  -7.983  12.236
  469    QD   LYS  47           QD       LYS  47  -5.619  -5.514  12.035
  470    QE   LYS  47           QE       LYS  47  -4.518  -5.963  14.044
  471    QZ   LYS  47           QZ       LYS  47  -2.750  -6.797  12.873
  472    HA   PRO  48           HA       PRO  48  -3.340  -9.711   7.046
  473   1HB   PRO  48           2HB      PRO  48  -4.073 -11.992   8.815
  474   2HB   PRO  48           3HB      PRO  48  -2.509 -11.558   8.119
  475   1HG   PRO  48           2HG      PRO  48  -3.065 -11.118  10.749
  476   2HG   PRO  48           3HG      PRO  48  -2.007 -10.048   9.823
  477   1HD   PRO  48           2HD      PRO  48  -4.843  -9.588  10.682
  478   2HD   PRO  48           3HD      PRO  48  -3.542  -8.423  10.429
  479    QB   PRO  48           QB       PRO  48  -3.291 -11.775   8.468
  480    QG   PRO  48           QG       PRO  48  -2.536 -10.583  10.286
  481    QD   PRO  48           QD       PRO  48  -4.192  -9.006  10.556
  482    H    HIS  49           HN       HIS  49  -3.949 -11.347   5.547
  483    HA   HIS  49           HA       HIS  49  -5.420 -12.432   4.082
  484   1HB   HIS  49           2HB      HIS  49  -7.523 -12.367   6.239
  485   2HB   HIS  49           3HB      HIS  49  -7.302 -13.555   4.982
  486    HD1  HIS  49           HD1      HIS  49  -4.468 -14.325   5.352
  487    HD2  HIS  49           HD2      HIS  49  -6.915 -13.753   8.609
  488    HE1  HIS  49           HE1      HIS  49  -3.438 -15.612   7.254
  489    QB   HIS  49           QB       HIS  49  -7.413 -12.961   5.610
  490    H    SER  50           HN       SER  50  -5.114  -9.737   4.067
  491    HA   SER  50           HA       SER  50  -7.701  -8.803   2.968
  492   1HB   SER  50           2HB      SER  50  -7.546  -8.038   5.379
  493   2HB   SER  50           3HB      SER  50  -6.077  -7.149   4.939
  494    HG   SER  50           HG       SER  50  -8.601  -6.428   4.535
  495    QB   SER  50           QB       SER  50  -6.812  -7.594   5.159
  496    H    THR  51           HN       THR  51  -7.201  -6.452   1.982
  497    HA   THR  51           HA       THR  51  -4.457  -6.181   0.963
  498    HB   THR  51           HB       THR  51  -5.151  -6.254  -1.366
  499    HG1  THR  51          1HG       THR  51  -7.545  -5.839  -0.127
  500   1HG2  THR  51           2HG      THR  51  -4.956  -8.581  -0.323
  501   2HG2  THR  51           3HG      THR  51  -6.688  -8.509  -0.024
  502   3HG2  THR  51           1HG      THR  51  -6.079  -8.503  -1.672
  503    QG2  THR  51           QG2      THR  51  -5.908  -8.531  -0.673
  504    H    VAL  52           HN       VAL  52  -4.094  -4.049   0.013
  505    HA   VAL  52           HA       VAL  52  -6.279  -2.085   0.638
  506    HB   VAL  52           HB       VAL  52  -3.287  -1.526   0.513
  507   1HG1  VAL  52           2HG      VAL  52  -4.786   0.421   0.095
  508   2HG1  VAL  52           3HG      VAL  52  -5.632   0.086   1.601
  509   3HG1  VAL  52           1HG      VAL  52  -3.946   0.593   1.635
  510   1HG2  VAL  52           1HG      VAL  52  -5.092  -2.045   2.909
  511   2HG2  VAL  52           2HG      VAL  52  -3.745  -3.049   2.389
  512   3HG2  VAL  52           3HG      VAL  52  -3.450  -1.435   3.026
  513    QG1  VAL  52           QG1      VAL  52  -4.789   0.367   1.110
  514    QG2  VAL  52           QG2      VAL  52  -4.096  -2.176   2.775
  515    QQG  VAL  52           QQG      VAL  52  -4.442  -0.905   1.943
  516    H    ASP  53           HN       ASP  53  -6.979  -0.845  -1.063
  517    HA   ASP  53           HA       ASP  53  -5.725  -1.375  -3.737
  518   1HB   ASP  53           2HB      ASP  53  -8.187  -1.968  -2.974
  519   2HB   ASP  53           3HB      ASP  53  -8.491  -0.267  -3.282
  520    QB   ASP  53           QB       ASP  53  -8.339  -1.118  -3.128
  521    H    PHE  54           HN       PHE  54  -5.133   0.370  -5.083
  522    HA   PHE  54           HA       PHE  54  -5.441   3.155  -4.007
  523   1HB   PHE  54           2HB      PHE  54  -3.015   2.068  -5.493
  524   2HB   PHE  54           3HB      PHE  54  -3.173   3.670  -4.789
  525    HD1  PHE  54          2HD       PHE  54  -3.656   0.128  -3.542
  526    HD2  PHE  54          1HD       PHE  54  -1.869   3.940  -2.903
  527    HE1  PHE  54          2HE       PHE  54  -2.721  -0.666  -1.450
  528    HE2  PHE  54          1HE       PHE  54  -0.765   3.060  -0.890
  529    HZ   PHE  54           HZ       PHE  54  -1.222   0.766  -0.133
  530    QB   PHE  54           QB       PHE  54  -3.094   2.869  -5.142
  531    QR   PHE  54           QR       PHE  54  -2.253   1.616  -2.196
  532    NH1  ARG  55           NH1      ARG  55  -7.968   6.785  -4.524
  533    NH2  ARG  55           NH2      ARG  55  -9.039   8.663  -5.217
  534    H    ARG  55           HN       ARG  55  -4.593   4.691  -6.026
  535    HA   ARG  55           HA       ARG  55  -5.879   3.608  -8.510
  536   1HB   ARG  55           2HB      ARG  55  -6.310   6.347  -7.293
  537   2HB   ARG  55           3HB      ARG  55  -6.905   5.854  -8.878
  538   1HG   ARG  55           2HG      ARG  55  -8.163   3.994  -7.829
  539   2HG   ARG  55           3HG      ARG  55  -7.563   4.467  -6.252
  540   1HD   ARG  55           2HD      ARG  55  -9.507   5.927  -8.038
  541   2HD   ARG  55           3HD      ARG  55  -9.696   5.492  -6.337
  542    HE   ARG  55           HE       ARG  55  -7.956   7.696  -7.358
  543   1HH1  ARG  55           2HH      ARG  55  -7.573   5.899  -4.747
  544   2HH1  ARG  55           1HH      ARG  55  -7.962   7.113  -3.561
  545   1HH2  ARG  55           2HH      ARG  55  -9.438   9.194  -5.958
  546   2HH2  ARG  55           1HH      ARG  55  -9.053   9.024  -4.275
  547    QB   ARG  55           QB       ARG  55  -6.607   6.101  -8.086
  548    QG   ARG  55           QG       ARG  55  -7.862   4.230  -7.041
  549    QD   ARG  55           QD       ARG  55  -9.602   5.709  -7.188
  550    QH1  ARG  55           QH1      ARG  55  -7.768   6.506  -4.154
  551    QH2  ARG  55           QH2      ARG  55  -9.246   9.109  -5.117
  552    H    VAL  56           HN       VAL  56  -5.415   5.255 -10.402
  553    HA   VAL  56           HA       VAL  56  -2.599   5.243 -10.773
  554    HB   VAL  56           HB       VAL  56  -3.030   6.016 -12.926
  555   1HG1  VAL  56           1HG      VAL  56  -4.159   3.874 -12.598
  556   2HG1  VAL  56           2HG      VAL  56  -5.626   4.699 -12.095
  557   3HG1  VAL  56           3HG      VAL  56  -5.047   4.859 -13.744
  558   1HG2  VAL  56           2HG      VAL  56  -5.616   7.255 -11.919
  559   2HG2  VAL  56           3HG      VAL  56  -4.167   8.141 -12.375
  560   3HG2  VAL  56           1HG      VAL  56  -5.084   7.270 -13.596
  561    QG1  VAL  56           QG1      VAL  56  -4.944   4.478 -12.813
  562    QG2  VAL  56           QG2      VAL  56  -4.955   7.555 -12.630
  563    QQG  VAL  56           QQG      VAL  56  -4.950   6.016 -12.721
  564    H    LYS  57           HN       LYS  57  -1.198   6.973 -11.250
  565    HA   LYS  57           HA       LYS  57  -1.803   9.712 -10.661
  566   1HB   LYS  57           2HB      LYS  57  -0.458   9.766  -8.596
  567   2HB   LYS  57           3HB      LYS  57  -1.881   8.790  -8.398
  568   1HG   LYS  57           2HG      LYS  57  -0.170   6.859  -9.154
  569   2HG   LYS  57           3HG      LYS  57   1.017   7.991  -8.528
  570   1HD   LYS  57           2HD      LYS  57  -1.277   6.667  -7.066
  571   2HD   LYS  57           3HD      LYS  57   0.435   6.620  -6.666
  572   1HE   LYS  57           2HE      LYS  57  -1.400   9.039  -6.450
  573   2HE   LYS  57           3HE      LYS  57  -0.723   8.110  -5.138
  574   1HZ   LYS  57           2HZ      LYS  57   1.432   8.917  -6.712
  575   2HZ   LYS  57           3HZ      LYS  57   0.442  10.281  -6.524
  576   3HZ   LYS  57           1HZ      LYS  57   1.030   9.436  -5.163
  577    QB   LYS  57           QB       LYS  57  -1.169   9.278  -8.497
  578    QG   LYS  57           QG       LYS  57   0.423   7.424  -8.841
  579    QD   LYS  57           QD       LYS  57  -0.422   6.644  -6.867
  580    QE   LYS  57           QE       LYS  57  -1.061   8.575  -5.793
  581    QZ   LYS  57           QZ       LYS  57   0.968   9.544  -6.133
  582    H    ALA  58           HN       ALA  58   0.328  11.009 -10.874
  583    HA   ALA  58           HA       ALA  58   2.559   9.360 -11.974
  584   1HB   ALA  58           1HB      ALA  58   1.076   9.860 -13.830
  585   2HB   ALA  58           2HB      ALA  58   1.187  11.583 -13.456
  586   3HB   ALA  58           3HB      ALA  58   2.618  10.705 -13.998
  587    QB   ALA  58           QB       ALA  58   1.626  10.716 -13.761
  588    H    GLU  59           HN       GLU  59   2.299  10.920  -9.769
  589    HA   GLU  59           HA       GLU  59   4.183  13.205 -10.225
  590   1HB   GLU  59           2HB      GLU  59   2.969  12.827  -7.519
  591   2HB   GLU  59           3HB      GLU  59   3.289  14.306  -8.403
  592   1HG   GLU  59           2HG      GLU  59   0.911  14.109  -8.353
  593   2HG   GLU  59           3HG      GLU  59   1.377  13.617  -9.975
  594    QB   GLU  59           QB       GLU  59   3.129  13.566  -7.961
  595    QG   GLU  59           QG       GLU  59   1.144  13.863  -9.164
  596    H    ASP  60           HN       ASP  60   3.570  10.590  -7.879
  597    HA   ASP  60           HA       ASP  60   6.518  10.620  -7.305
  598   1HB   ASP  60           2HB      ASP  60   6.142   9.904  -5.067
  599   2HB   ASP  60           3HB      ASP  60   5.004  11.205  -5.350
  600    QB   ASP  60           QB       ASP  60   5.573  10.554  -5.209
  601    H    ILE  61           HN       ILE  61   3.820   8.590  -8.119
  602    HA   ILE  61           HA       ILE  61   3.767   6.153  -8.156
  603    HB   ILE  61           HB       ILE  61   5.360   7.347 -10.436
  604   1HG1  ILE  61           2HG      ILE  61   2.936   7.959 -10.135
  605   2HG1  ILE  61           3HG      ILE  61   3.305   7.215 -11.684
  606   1HG2  ILE  61           2HG      ILE  61   4.326   4.490 -10.254
  607   2HG2  ILE  61           3HG      ILE  61   4.923   5.248 -11.724
  608   3HG2  ILE  61           1HG      ILE  61   6.011   4.968 -10.378
  609   1HD1  ILE  61           3HD      ILE  61   2.128   5.771  -9.279
  610   2HD1  ILE  61           1HD      ILE  61   1.247   6.251 -10.712
  611   3HD1  ILE  61           2HD      ILE  61   2.495   5.037 -10.836
  612    QG1  ILE  61           QG1      ILE  61   3.120   7.587 -10.910
  613    QG2  ILE  61           QG2      ILE  61   5.086   4.902 -10.785
  614    QD1  ILE  61           QD1      ILE  61   1.957   5.687 -10.276
  615    H    LEU  62           HN       LEU  62   6.946   6.675  -9.462
  616    HA   LEU  62           HA       LEU  62   8.338   4.488  -8.861
  617   1HB   LEU  62           2HB      LEU  62   9.344   6.511  -9.839
  618   2HB   LEU  62           3HB      LEU  62   9.256   7.325  -8.286
  619    HG   LEU  62           HG       LEU  62  10.784   5.537  -7.339
  620   1HD1  LEU  62           2HD      LEU  62  11.074   4.789 -10.279
  621   2HD1  LEU  62           3HD      LEU  62  12.043   4.153  -8.954
  622   3HD1  LEU  62           1HD      LEU  62  10.328   3.783  -9.036
  623   1HD2  LEU  62           1HD      LEU  62  11.837   7.131  -9.706
  624   2HD2  LEU  62           2HD      LEU  62  11.639   7.744  -8.067
  625   3HD2  LEU  62           3HD      LEU  62  12.818   6.478  -8.397
  626    QB   LEU  62           QB       LEU  62   9.300   6.918  -9.063
  627    QD1  LEU  62           QD1      LEU  62  11.148   4.242  -9.422
  628    QD2  LEU  62           QD2      LEU  62  12.097   7.118  -8.724
  629    QQD  LEU  62           QQD      LEU  62  11.623   5.680  -9.074
  630    H    ALA  63           HN       ALA  63   7.872   7.010  -6.392
  631    HA   ALA  63           HA       ALA  63   9.295   5.630  -4.349
  632   1HB   ALA  63           3HB      ALA  63   6.967   7.591  -4.100
  633   2HB   ALA  63           1HB      ALA  63   8.030   7.124  -2.773
  634   3HB   ALA  63           2HB      ALA  63   8.679   8.007  -4.149
  635    QB   ALA  63           QB       ALA  63   7.892   7.575  -3.673
  636    H    VAL  64           HN       VAL  64   5.844   5.474  -5.163
  637    HA   VAL  64           HA       VAL  64   5.229   3.750  -2.888
  638    HB   VAL  64           HB       VAL  64   3.627   3.736  -5.453
  639   1HG1  VAL  64           2HG      VAL  64   2.910   3.642  -2.501
  640   2HG1  VAL  64           3HG      VAL  64   1.759   3.525  -3.829
  641   3HG1  VAL  64           1HG      VAL  64   2.966   2.266  -3.596
  642   1HG2  VAL  64           3HG      VAL  64   3.573   5.965  -3.387
  643   2HG2  VAL  64           1HG      VAL  64   4.143   6.117  -5.043
  644   3HG2  VAL  64           2HG      VAL  64   2.453   5.774  -4.733
  645    QG1  VAL  64           QG1      VAL  64   2.544   3.144  -3.309
  646    QG2  VAL  64           QG2      VAL  64   3.390   5.952  -4.387
  647    QQG  VAL  64           QQG      VAL  64   2.967   4.548  -3.848
  648    H    GLU  65           HN       GLU  65   5.639   3.339  -6.331
  649    HA   GLU  65           HA       GLU  65   5.394   0.548  -6.586
  650   1HB   GLU  65           2HB      GLU  65   7.284   2.428  -8.053
  651   2HB   GLU  65           3HB      GLU  65   6.705   0.876  -8.644
  652   1HG   GLU  65           2HG      GLU  65   4.650   2.907  -7.900
  653   2HG   GLU  65           3HG      GLU  65   5.560   3.150  -9.384
  654    QB   GLU  65           QB       GLU  65   6.994   1.653  -8.348
  655    QG   GLU  65           QG       GLU  65   5.105   3.028  -8.642
  656    H    ASP  66           HN       ASP  66   8.217   2.512  -5.820
  657    HA   ASP  66           HA       ASP  66  10.068   0.304  -5.565
  658   1HB   ASP  66           2HB      ASP  66  10.568   2.898  -5.922
  659   2HB   ASP  66           3HB      ASP  66  10.471   2.960  -4.176
  660    QB   ASP  66           QB       ASP  66  10.519   2.930  -5.049
  661    H    PHE  67           HN       PHE  67   8.429   2.398  -3.220
  662    HA   PHE  67           HA       PHE  67   9.385   1.224  -0.842
  663   1HB   PHE  67           2HB      PHE  67   7.918   3.234  -0.919
  664   2HB   PHE  67           3HB      PHE  67   6.559   2.212  -1.355
  665    HD1  PHE  67          2HD       PHE  67   8.934   3.038   1.366
  666    HD2  PHE  67          1HD       PHE  67   5.559   0.684   0.243
  667    HE1  PHE  67          2HE       PHE  67   8.684   2.263   3.689
  668    HE2  PHE  67          1HE       PHE  67   5.305  -0.051   2.561
  669    HZ   PHE  67           HZ       PHE  67   6.898   0.666   4.271
  670    QB   PHE  67           QB       PHE  67   7.239   2.723  -1.137
  671    QR   PHE  67           QR       PHE  67   7.120   1.483   1.965
  672    H    LEU  68           HN       LEU  68   6.805   0.234  -2.938
  673    HA   LEU  68           HA       LEU  68   6.024  -2.037  -1.270
  674   1HB   LEU  68           2HB      LEU  68   5.316  -1.278  -4.130
  675   2HB   LEU  68           3HB      LEU  68   4.635  -2.664  -3.293
  676    HG   LEU  68           HG       LEU  68   4.430   0.165  -2.196
  677   1HD1  LEU  68           3HD      LEU  68   3.289  -0.005  -4.404
  678   2HD1  LEU  68           1HD      LEU  68   2.403  -1.415  -3.833
  679   3HD1  LEU  68           2HD      LEU  68   2.123   0.160  -3.095
  680   1HD2  LEU  68           3HD      LEU  68   2.946  -2.436  -1.619
  681   2HD2  LEU  68           1HD      LEU  68   4.115  -1.667  -0.558
  682   3HD2  LEU  68           2HD      LEU  68   2.581  -0.881  -0.880
  683    QB   LEU  68           QB       LEU  68   4.976  -1.970  -3.712
  684    QD1  LEU  68           QD1      LEU  68   2.605  -0.420  -3.777
  685    QD2  LEU  68           QD2      LEU  68   3.214  -1.661  -1.019
  686    QQD  LEU  68           QQD      LEU  68   2.910  -1.041  -2.398
  687    H    GLU  69           HN       GLU  69   7.892  -1.568  -4.226
  688    HA   GLU  69           HA       GLU  69   8.318  -4.444  -4.531
  689   1HB   GLU  69           2HB      GLU  69   8.146  -2.849  -6.468
  690   2HB   GLU  69           3HB      GLU  69   9.662  -2.127  -5.964
  691   1HG   GLU  69           2HG      GLU  69  10.922  -3.915  -6.698
  692   2HG   GLU  69           3HG      GLU  69   9.674  -5.096  -6.313
  693    QB   GLU  69           QB       GLU  69   8.903  -2.488  -6.216
  694    QG   GLU  69           QG       GLU  69  10.298  -4.506  -6.506
  695    H    GLN  70           HN       GLN  70  10.600  -1.758  -4.079
  696    HA   GLN  70           HA       GLN  70  12.915  -3.119  -3.579
  697   1HB   GLN  70           2HB      GLN  70  12.692  -0.657  -3.483
  698   2HB   GLN  70           3HB      GLN  70  11.938  -0.785  -1.899
  699   1HG   GLN  70           2HG      GLN  70  13.924  -1.585  -0.878
  700   2HG   GLN  70           3HG      GLN  70  14.632  -2.064  -2.411
  701   1HE2  GLN  70           2HE      GLN  70  14.835   1.831  -2.817
  702   2HE2  GLN  70           1HE      GLN  70  13.539   0.862  -3.316
  703    QB   GLN  70           QB       GLN  70  12.315  -0.721  -2.691
  704    QG   GLN  70           QG       GLN  70  14.278  -1.824  -1.644
  705    QE2  GLN  70           QE2      GLN  70  14.186   1.346  -3.066
  706    H    ASN  71           HN       ASN  71  10.222  -2.934  -1.278
  707    HA   ASN  71           HA       ASN  71  11.803  -4.515   0.664
  708   1HB   ASN  71           2HB      ASN  71   8.951  -3.502   0.920
  709   2HB   ASN  71           3HB      ASN  71   9.985  -4.093   2.206
  710   1HD2  ASN  71           2HD      ASN  71  10.128  -0.392   2.282
  711   2HD2  ASN  71           1HD      ASN  71   8.898  -1.547   2.432
  712    QB   ASN  71           QB       ASN  71   9.468  -3.798   1.563
  713    QD2  ASN  71           QD2      ASN  71   9.513  -0.970   2.356
  714    H    GLU  72           HN       GLU  72   8.990  -4.820  -1.411
  715    HA   GLU  72           HA       GLU  72   8.056  -6.800  -2.315
  716   1HB   GLU  72           2HB      GLU  72  10.224  -8.040  -1.399
  717   2HB   GLU  72           3HB      GLU  72   9.150  -8.521  -0.095
  718   1HG   GLU  72           2HG      GLU  72   8.521  -8.955  -3.042
  719   2HG   GLU  72           3HG      GLU  72   9.240 -10.180  -2.010
  720    QB   GLU  72           QB       GLU  72   9.687  -8.280  -0.747
  721    QG   GLU  72           QG       GLU  72   8.881  -9.567  -2.526
  722    H    LEU  73           HN       LEU  73   6.409  -5.350  -1.369
  723    HA   LEU  73           HA       LEU  73   5.221  -6.427   1.108
  724   1HB   LEU  73           2HB      LEU  73   4.592  -3.911  -0.464
  725   2HB   LEU  73           3HB      LEU  73   4.001  -4.320   1.128
  726    HG   LEU  73           HG       LEU  73   6.881  -3.778   0.342
  727   1HD1  LEU  73           3HD      LEU  73   5.003  -2.385   2.278
  728   2HD1  LEU  73           1HD      LEU  73   6.699  -1.982   2.062
  729   3HD1  LEU  73           2HD      LEU  73   5.568  -1.743   0.744
  730   1HD2  LEU  73           3HD      LEU  73   5.780  -4.712   3.018
  731   2HD2  LEU  73           1HD      LEU  73   6.856  -5.623   1.971
  732   3HD2  LEU  73           2HD      LEU  73   7.427  -4.158   2.742
  733    QB   LEU  73           QB       LEU  73   4.297  -4.115   0.332
  734    QD1  LEU  73           QD1      LEU  73   5.757  -2.036   1.695
  735    QD2  LEU  73           QD2      LEU  73   6.687  -4.831   2.577
  736    QQD  LEU  73           QQD      LEU  73   6.222  -3.434   2.136
  737    H    GLN  74           HN       GLN  74   4.933  -8.188  -0.775
  738    HA   GLN  74           HA       GLN  74   3.438  -9.270  -2.291
  739   1HB   GLN  74           2HB      GLN  74   1.689  -8.741   0.145
  740   2HB   GLN  74           3HB      GLN  74   1.515 -10.076  -0.983
  741   1HG   GLN  74           2HG      GLN  74   2.668 -10.865   1.036
  742   2HG   GLN  74           3HG      GLN  74   3.798 -10.890  -0.316
  743   1HE2  GLN  74           2HE      GLN  74   6.040  -8.899   1.544
  744   2HE2  GLN  74           1HE      GLN  74   5.810 -10.259   0.551
  745    QB   GLN  74           QB       GLN  74   1.602  -9.408  -0.419
  746    QG   GLN  74           QG       GLN  74   3.232 -10.877   0.359
  747    QE2  GLN  74           QE2      GLN  74   5.925  -9.579   1.048
  748    OH   TYR  75           OH       TYR  75   7.368  -5.444  -6.197
  749    H    TYR  75           HN       TYR  75   3.431  -7.055  -3.492
  750    HA   TYR  75           HA       TYR  75   0.618  -6.043  -3.620
  751   1HB   TYR  75           2HB      TYR  75   1.621  -3.956  -4.584
  752   2HB   TYR  75           3HB      TYR  75   2.229  -4.283  -2.963
  753    HD1  TYR  75           HD1      TYR  75   4.459  -5.601  -2.783
  754    HD2  TYR  75           HD2      TYR  75   3.178  -3.719  -6.376
  755    HE1  TYR  75           HE1      TYR  75   6.631  -6.059  -3.794
  756    HE2  TYR  75           HE2      TYR  75   5.386  -4.120  -7.360
  757    HH   TYR  75           HH       TYR  75   7.428  -5.053  -7.087
  758    QB   TYR  75           QB       TYR  75   1.925  -4.119  -3.774
  759    QR   TYR  75           QR       TYR  75   4.914  -4.875  -5.078
  760    H    GLU  76           HN       GLU  76  -0.249  -5.678  -5.650
  761    HA   GLU  76           HA       GLU  76   1.157  -6.944  -7.948
  762   1HB   GLU  76           2HB      GLU  76  -1.160  -7.836  -8.656
  763   2HB   GLU  76           3HB      GLU  76  -0.361  -8.680  -7.344
  764   1HG   GLU  76           2HG      GLU  76  -2.385  -8.449  -6.302
  765   2HG   GLU  76           3HG      GLU  76  -1.806  -6.836  -5.923
  766    QB   GLU  76           QB       GLU  76  -0.761  -8.258  -7.999
  767    QG   GLU  76           QG       GLU  76  -2.096  -7.643  -6.113
  768    H    VAL  77           HN       VAL  77   0.121  -6.286 -10.030
  769    HA   VAL  77           HA       VAL  77  -0.902  -3.481  -9.845
  770    HB   VAL  77           HB       VAL  77   0.742  -4.666 -12.114
  771   1HG1  VAL  77           3HG      VAL  77   0.021  -1.820 -11.341
  772   2HG1  VAL  77           1HG      VAL  77   1.113  -2.250 -12.654
  773   3HG1  VAL  77           2HG      VAL  77  -0.580  -2.707 -12.729
  774   1HG2  VAL  77           2HG      VAL  77   1.717  -3.009  -9.742
  775   2HG2  VAL  77           3HG      VAL  77   2.124  -4.690 -10.062
  776   3HG2  VAL  77           1HG      VAL  77   2.687  -3.426 -11.148
  777    QG1  VAL  77           QG1      VAL  77   0.184  -2.259 -12.241
  778    QG2  VAL  77           QG2      VAL  77   2.175  -3.708 -10.318
  779    QQG  VAL  77           QQG      VAL  77   1.180  -2.984 -11.280
  780    H    LEU  78           HN       LEU  78  -2.895  -3.161 -10.789
  781    HA   LEU  78           HA       LEU  78  -4.616  -5.145 -11.547
  782   1HB   LEU  78           2HB      LEU  78  -4.322  -2.272 -12.388
  783   2HB   LEU  78           3HB      LEU  78  -5.647  -3.243 -13.007
  784    HG   LEU  78           HG       LEU  78  -5.963  -1.859 -10.822
  785   1HD1  LEU  78           2HD      LEU  78  -7.628  -3.435 -11.748
  786   2HD1  LEU  78           3HD      LEU  78  -6.777  -4.775 -10.985
  787   3HD1  LEU  78           1HD      LEU  78  -7.578  -3.561  -9.993
  788   1HD2  LEU  78           2HD      LEU  78  -4.647  -4.292  -9.627
  789   2HD2  LEU  78           3HD      LEU  78  -4.046  -2.638  -9.556
  790   3HD2  LEU  78           1HD      LEU  78  -5.538  -3.062  -8.747
  791    QB   LEU  78           QB       LEU  78  -4.985  -2.758 -12.698
  792    QD1  LEU  78           QD1      LEU  78  -7.328  -3.923 -10.908
  793    QD2  LEU  78           QD2      LEU  78  -4.743  -3.331  -9.310
  794    QQD  LEU  78           QQD      LEU  78  -6.035  -3.627 -10.109
  795    H    ILE  79           HN       ILE  79  -2.394  -3.514 -13.824
  796    HA   ILE  79           HA       ILE  79  -3.068  -5.590 -15.780
  797    HB   ILE  79           HB       ILE  79  -1.992  -2.948 -16.721
  798   1HG1  ILE  79           2HG      ILE  79  -4.580  -2.265 -16.888
  799   2HG1  ILE  79           3HG      ILE  79  -4.698  -3.242 -15.436
  800   1HG2  ILE  79           3HG      ILE  79  -4.182  -4.806 -17.727
  801   2HG2  ILE  79           1HG      ILE  79  -3.555  -3.407 -18.591
  802   3HG2  ILE  79           2HG      ILE  79  -2.514  -4.788 -18.291
  803   1HD1  ILE  79           2HD      ILE  79  -2.902  -1.851 -14.382
  804   2HD1  ILE  79           3HD      ILE  79  -2.822  -0.881 -15.845
  805   3HD1  ILE  79           1HD      ILE  79  -4.283  -0.875 -14.867
  806    QG1  ILE  79           QG1      ILE  79  -4.639  -2.753 -16.162
  807    QG2  ILE  79           QG2      ILE  79  -3.417  -4.333 -18.203
  808    QD1  ILE  79           QD1      ILE  79  -3.335  -1.203 -15.032
  809    H    ASN  80           HN       ASN  80  -1.141  -5.327 -17.351
  810    HA   ASN  80           HA       ASN  80   1.348  -5.540 -15.716
  811   1HB   ASN  80           2HB      ASN  80   0.447  -7.724 -16.646
  812   2HB   ASN  80           3HB      ASN  80   0.775  -7.094 -18.256
  813   1HD2  ASN  80           2HD      ASN  80   4.410  -6.918 -16.844
  814   2HD2  ASN  80           1HD      ASN  80   3.274  -5.662 -16.875
  815    QB   ASN  80           QB       ASN  80   0.611  -7.409 -17.451
  816    QD2  ASN  80           QD2      ASN  80   3.842  -6.290 -16.860
  817    H    ASN  81           HN       ASN  81   0.754  -3.127 -16.596
  818    HA   ASN  81           HA       ASN  81   2.812  -2.691 -18.687
  819   1HB   ASN  81           2HB      ASN  81   0.560  -2.588 -19.818
  820   2HB   ASN  81           3HB      ASN  81   0.117  -1.285 -18.712
  821   1HD2  ASN  81                 ASN  81   2.533  -0.480 -21.860
  822   2HD2  ASN  81           1HD      ASN  81   1.881  -2.029 -21.612
  823    QB   ASN  81           QB       ASN  81   0.339  -1.936 -19.265
  824    QD2  ASN  81           QD2      ASN  81   2.207  -1.255 -21.737
   
  Start of MODEL           5
 Raw file had 824 H/Q atoms
  Start of MODEL    5
    1   1H    HIS   1           HN1      HIS   1   9.068  -2.291 -19.829
    2   2H    HIS   1           HN2      HIS   1   8.022  -3.511 -20.226
    3   3H    HIS   1           HN3      HIS   1   8.656  -2.546 -21.412
    4    HA   HIS   1           HA       HIS   1   6.959  -1.162 -21.257
    5   1HB   HIS   1           2HB      HIS   1   6.155  -2.788 -18.819
    6   2HB   HIS   1           3HB      HIS   1   5.128  -1.674 -19.682
    7    HD1  HIS   1           HD1      HIS   1   4.208  -4.479 -19.450
    8    HD2  HIS   1           HD2      HIS   1   6.457  -3.259 -22.678
    9    HE1  HIS   1           HE1      HIS   1   3.743  -6.110 -21.306
   10    QB   HIS   1           QB       HIS   1   5.642  -2.231 -19.251
   11    H    HIS   2           HN       HIS   2   5.965   0.508 -19.738
   12    HA   HIS   2           HA       HIS   2   7.980   1.362 -17.688
   13   1HB   HIS   2           2HB      HIS   2   6.223   3.067 -19.489
   14   2HB   HIS   2           3HB      HIS   2   7.234   3.690 -18.216
   15    HD1  HIS   2           HD1      HIS   2   7.878   4.872 -20.682
   16    HD2  HIS   2           HD2      HIS   2   9.571   1.230 -19.798
   17    HE1  HIS   2           HE1      HIS   2   9.921   4.661 -22.145
   18    QB   HIS   2           QB       HIS   2   6.728   3.379 -18.852
   19    H    SER   3           HN       SER   3   6.787   3.011 -16.135
   20    HA   SER   3           HA       SER   3   4.357   1.581 -15.229
   21   1HB   SER   3           2HB      SER   3   4.671   2.982 -13.175
   22   2HB   SER   3           3HB      SER   3   6.148   2.085 -13.570
   23    HG   SER   3           HG       SER   3   5.486   4.754 -14.359
   24    QB   SER   3           QB       SER   3   5.410   2.534 -13.372
   25    H    GLY   4           HN       GLY   4   3.526   2.665 -17.404
   26   1HA   GLY   4           1HA      GLY   4   1.342   4.132 -17.188
   27   2HA   GLY   4           2HA      GLY   4   2.504   5.396 -16.825
   28    QA   GLY   4           QA       GLY   4   1.923   4.764 -17.007
   29    H    GLU   5           HN       GLU   5   0.655   5.369 -19.036
   30    HA   GLU   5           HA       GLU   5   2.628   5.460 -21.289
   31   1HB   GLU   5           2HB      GLU   5   0.009   4.718 -22.307
   32   2HB   GLU   5           3HB      GLU   5   1.539   3.896 -22.509
   33   1HG   GLU   5           2HG      GLU   5  -0.167   2.434 -21.454
   34   2HG   GLU   5           3HG      GLU   5   1.223   2.674 -20.413
   35    QB   GLU   5           QB       GLU   5   0.774   4.307 -22.408
   36    QG   GLU   5           QG       GLU   5   0.528   2.555 -20.934
   37    H    HIS   6           HN       HIS   6  -0.812   5.928 -21.041
   38    HA   HIS   6           HA       HIS   6  -0.537   8.831 -21.629
   39   1HB   HIS   6           2HB      HIS   6  -2.658   7.012 -22.797
   40   2HB   HIS   6           3HB      HIS   6  -2.426   8.703 -23.144
   41    HD1  HIS   6           HD1      HIS   6   0.787   8.082 -23.307
   42    HD2  HIS   6           HD2      HIS   6  -2.194   6.459 -25.645
   43    HE1  HIS   6           HE1      HIS   6   1.868   7.375 -25.470
   44    QB   HIS   6           QB       HIS   6  -2.543   7.857 -22.970
   45    H    PHE   7           HN       PHE   7  -2.442   6.188 -20.228
   46    HA   PHE   7           HA       PHE   7  -4.384   8.059 -19.034
   47   1HB   PHE   7           2HB      PHE   7  -4.871   5.582 -19.637
   48   2HB   PHE   7           3HB      PHE   7  -3.929   5.163 -18.212
   49    HD1  PHE   7          2HD       PHE   7  -4.756   5.786 -15.936
   50    HD2  PHE   7          1HD       PHE   7  -7.041   6.687 -19.421
   51    HE1  PHE   7          2HE       PHE   7  -6.682   6.350 -14.529
   52    HE2  PHE   7          1HE       PHE   7  -8.970   7.241 -18.007
   53    HZ   PHE   7           HZ       PHE   7  -8.803   7.056 -15.563
   54    QB   PHE   7           QB       PHE   7  -4.400   5.373 -18.924
   55    QR   PHE   7           QR       PHE   7  -6.862   6.516 -16.973
   56    H    GLU   8           HN       GLU   8  -2.451   9.285 -18.282
   57    HA   GLU   8           HA       GLU   8  -1.183   8.150 -15.863
   58   1HB   GLU   8           2HB      GLU   8  -0.536  10.666 -17.453
   59   2HB   GLU   8           3HB      GLU   8   0.466   9.944 -16.197
   60   1HG   GLU   8           2HG      GLU   8  -0.314   8.566 -18.799
   61   2HG   GLU   8           3HG      GLU   8   1.262   9.260 -18.453
   62    QB   GLU   8           QB       GLU   8  -0.035  10.305 -16.825
   63    QG   GLU   8           QG       GLU   8   0.474   8.913 -18.626
   64    H    GLY   9           HN       GLY   9  -0.579  10.613 -14.612
   65   1HA   GLY   9           1HA      GLY   9  -1.572  12.241 -13.223
   66   2HA   GLY   9           2HA      GLY   9  -3.089  11.992 -14.090
   67    QA   GLY   9           QA       GLY   9  -2.331  12.117 -13.657
   68    H    GLU  10           HN       GLU  10  -4.270   9.961 -13.589
   69    HA   GLU  10           HA       GLU  10  -3.833   9.149 -10.732
   70   1HB   GLU  10           2HB      GLU  10  -6.414   9.609 -12.260
   71   2HB   GLU  10           3HB      GLU  10  -6.354   8.759 -10.719
   72   1HG   GLU  10           2HG      GLU  10  -5.264  11.566 -11.148
   73   2HG   GLU  10           3HG      GLU  10  -6.843  11.215 -10.450
   74    QB   GLU  10           QB       GLU  10  -6.383   9.184 -11.490
   75    QG   GLU  10           QG       GLU  10  -6.054  11.390 -10.799
   76    H    LYS  11           HN       LYS  11  -3.648   7.002 -10.357
   77    HA   LYS  11           HA       LYS  11  -4.594   5.109 -12.444
   78   1HB   LYS  11           2HB      LYS  11  -1.803   5.035 -11.220
   79   2HB   LYS  11           3HB      LYS  11  -2.429   3.900 -12.409
   80   1HG   LYS  11           2HG      LYS  11  -2.880   6.260 -13.713
   81   2HG   LYS  11           3HG      LYS  11  -1.485   6.706 -12.753
   82   1HD   LYS  11           2HD      LYS  11  -0.487   5.888 -14.702
   83   2HD   LYS  11           3HD      LYS  11  -0.442   4.473 -13.661
   84   1HE   LYS  11           2HE      LYS  11  -1.995   3.342 -14.913
   85   2HE   LYS  11           3HE      LYS  11  -2.940   4.785 -15.241
   86   1HZ   LYS  11           1HZ      LYS  11  -0.407   4.942 -16.546
   87   2HZ   LYS  11           2HZ      LYS  11  -1.227   3.514 -17.004
   88   3HZ   LYS  11           3HZ      LYS  11  -1.958   5.035 -17.181
   89    QB   LYS  11           QB       LYS  11  -2.115   4.468 -11.814
   90    QG   LYS  11           QG       LYS  11  -2.182   6.483 -13.233
   91    QD   LYS  11           QD       LYS  11  -0.465   5.181 -14.181
   92    QE   LYS  11           QE       LYS  11  -2.467   4.063 -15.077
   93    QZ   LYS  11           QZ       LYS  11  -1.197   4.497 -16.910
   94    H    VAL  12           HN       VAL  12  -4.476   2.727 -11.509
   95    HA   VAL  12           HA       VAL  12  -4.892   2.901  -8.520
   96    HB   VAL  12           HB       VAL  12  -7.032   2.595  -9.697
   97   1HG1  VAL  12           3HG      VAL  12  -5.728   0.100 -10.833
   98   2HG1  VAL  12           1HG      VAL  12  -7.445   0.472 -10.948
   99   3HG1  VAL  12           2HG      VAL  12  -6.266   1.514 -11.727
  100   1HG2  VAL  12           2HG      VAL  12  -6.740   1.514  -7.480
  101   2HG2  VAL  12           3HG      VAL  12  -7.819   0.586  -8.512
  102   3HG2  VAL  12           1HG      VAL  12  -6.163   0.050  -8.271
  103    QG1  VAL  12           QG1      VAL  12  -6.480   0.695 -11.170
  104    QG2  VAL  12           QG2      VAL  12  -6.907   0.717  -8.088
  105    QQG  VAL  12           QQG      VAL  12  -6.693   0.706  -9.629
  106    H    PHE  13           HN       PHE  13  -4.490   0.846  -7.347
  107    HA   PHE  13           HA       PHE  13  -2.586  -1.017  -8.726
  108   1HB   PHE  13           2HB      PHE  13  -1.994   0.922  -6.606
  109   2HB   PHE  13           3HB      PHE  13  -1.639  -0.711  -6.080
  110    HD1  PHE  13          1HD       PHE  13  -1.239   0.825  -9.493
  111    HD2  PHE  13          2HD       PHE  13   0.674  -0.852  -6.094
  112    HE1  PHE  13          1HE       PHE  13   0.919   0.980 -10.634
  113    HE2  PHE  13          2HE       PHE  13   2.835  -0.646  -7.215
  114    HZ   PHE  13           HZ       PHE  13   2.974   0.280  -9.480
  115    QB   PHE  13           QB       PHE  13  -1.816   0.105  -6.343
  116    QR   PHE  13           QR       PHE  13   0.797   0.076  -8.359
  117    NH1  ARG  14           NH1      ARG  14  -2.407  -8.383  -7.246
  118    NH2  ARG  14           NH2      ARG  14  -3.419  -9.821  -8.704
  119    H    ARG  14           HN       ARG  14  -2.301  -3.081  -7.498
  120    HA   ARG  14           HA       ARG  14  -4.584  -3.595  -5.579
  121   1HB   ARG  14           2HB      ARG  14  -5.048  -4.814  -7.654
  122   2HB   ARG  14           3HB      ARG  14  -3.402  -5.436  -7.736
  123   1HG   ARG  14           2HG      ARG  14  -3.772  -6.762  -5.684
  124   2HG   ARG  14           3HG      ARG  14  -5.361  -6.054  -5.481
  125   1HD   ARG  14           2HD      ARG  14  -5.393  -8.379  -6.473
  126   2HD   ARG  14           3HD      ARG  14  -6.204  -7.170  -7.460
  127    HE   ARG  14           HE       ARG  14  -4.474  -7.403  -9.101
  128   1HH1  ARG  14           2HH      ARG  14  -2.400  -7.503  -6.772
  129   2HH1  ARG  14           1HH      ARG  14  -1.648  -9.035  -7.104
  130   1HH2  ARG  14           2HH      ARG  14  -4.193 -10.049  -9.288
  131   2HH2  ARG  14           1HH      ARG  14  -2.649 -10.474  -8.607
  132    QB   ARG  14           QB       ARG  14  -4.225  -5.125  -7.696
  133    QG   ARG  14           QG       ARG  14  -4.567  -6.408  -5.583
  134    QD   ARG  14           QD       ARG  14  -5.798  -7.774  -6.966
  135    QH1  ARG  14           QH1      ARG  14  -2.025  -8.268  -6.938
  136    QH2  ARG  14           QH2      ARG  14  -3.420 -10.261  -8.948
  137    H    VAL  15           HN       VAL  15  -3.494  -3.485  -3.653
  138    HA   VAL  15           HA       VAL  15  -0.842  -4.849  -3.356
  139    HB   VAL  15           HB       VAL  15  -2.354  -2.917  -1.546
  140   1HG1  VAL  15           2HG      VAL  15   0.477  -4.011  -1.291
  141   2HG1  VAL  15           3HG      VAL  15  -0.238  -2.777  -0.256
  142   3HG1  VAL  15           1HG      VAL  15  -0.872  -4.420  -0.236
  143   1HG2  VAL  15           2HG      VAL  15  -1.500  -1.911  -3.656
  144   2HG2  VAL  15           3HG      VAL  15  -0.647  -1.280  -2.255
  145   3HG2  VAL  15           1HG      VAL  15   0.117  -2.493  -3.278
  146    QG1  VAL  15           QG1      VAL  15  -0.211  -3.736  -0.594
  147    QG2  VAL  15           QG2      VAL  15  -0.677  -1.895  -3.064
  148    QQG  VAL  15           QQG      VAL  15  -0.443  -2.815  -1.829
  149    H    ASN  16           HN       ASN  16  -0.566  -6.588  -1.869
  150    HA   ASN  16           HA       ASN  16  -3.127  -7.479  -0.576
  151   1HB   ASN  16           2HB      ASN  16  -2.003  -8.911  -2.525
  152   2HB   ASN  16           3HB      ASN  16  -0.967  -9.469  -1.212
  153   1HD2  ASN  16           2HD      ASN  16  -3.495 -11.536   0.119
  154   2HD2  ASN  16           1HD      ASN  16  -1.836 -11.194  -0.008
  155    QB   ASN  16           QB       ASN  16  -1.484  -9.190  -1.868
  156    QD2  ASN  16           QD2      ASN  16  -2.665 -11.366   0.056
  157    H    VAL  17           HN       VAL  17  -2.752  -8.911   1.320
  158    HA   VAL  17           HA       VAL  17  -0.341  -8.038   2.860
  159    HB   VAL  17           HB       VAL  17  -3.191  -8.378   3.883
  160   1HG1  VAL  17           1HG      VAL  17  -1.308  -8.847   5.520
  161   2HG1  VAL  17           2HG      VAL  17  -0.782  -7.191   5.283
  162   3HG1  VAL  17           3HG      VAL  17  -2.361  -7.516   5.975
  163   1HG2  VAL  17           1HG      VAL  17  -1.555  -5.862   3.384
  164   2HG2  VAL  17           2HG      VAL  17  -2.958  -6.375   2.454
  165   3HG2  VAL  17           3HG      VAL  17  -3.145  -5.902   4.140
  166    QG1  VAL  17           QG1      VAL  17  -1.484  -7.851   5.592
  167    QG2  VAL  17           QG2      VAL  17  -2.553  -6.047   3.326
  168    QQG  VAL  17           QQG      VAL  17  -2.018  -6.948   4.459
  169    H    GLU  18           HN       GLU  18   0.810  -9.708   3.610
  170    HA   GLU  18           HA       GLU  18  -0.452 -12.386   3.775
  171   1HB   GLU  18           2HB      GLU  18   2.460 -11.506   3.748
  172   2HB   GLU  18           3HB      GLU  18   1.897 -13.154   3.784
  173   1HG   GLU  18           2HG      GLU  18   1.506 -11.149   1.553
  174   2HG   GLU  18           3HG      GLU  18   2.427 -12.644   1.485
  175    QB   GLU  18           QB       GLU  18   2.179 -12.329   3.766
  176    QG   GLU  18           QG       GLU  18   1.967 -11.897   1.520
  177    H    ASP  19           HN       ASP  19   1.516 -10.025   5.492
  178    HA   ASP  19           HA       ASP  19   0.824 -11.416   8.075
  179   1HB   ASP  19           2HB      ASP  19   3.527 -10.132   7.508
  180   2HB   ASP  19           3HB      ASP  19   3.077 -11.048   8.936
  181    QB   ASP  19           QB       ASP  19   3.303 -10.591   8.222
  182    H    GLU  20           HN       GLU  20   2.157  -9.525   9.690
  183    HA   GLU  20           HA       GLU  20   0.300  -7.311   9.531
  184   1HB   GLU  20           2HB      GLU  20   2.727  -7.839  11.299
  185   2HB   GLU  20           3HB      GLU  20   1.537  -6.596  11.561
  186   1HG   GLU  20           2HG      GLU  20   0.993  -8.489  13.002
  187   2HG   GLU  20           3HG      GLU  20  -0.237  -8.373  11.748
  188    QB   GLU  20           QB       GLU  20   2.132  -7.218  11.430
  189    QG   GLU  20           QG       GLU  20   0.378  -8.431  12.375
  190    H    ASN  21           HN       ASN  21   3.617  -8.018   8.790
  191    HA   ASN  21           HA       ASN  21   4.822  -5.542   8.439
  192   1HB   ASN  21           2HB      ASN  21   6.051  -7.570   7.935
  193   2HB   ASN  21           3HB      ASN  21   4.913  -8.022   6.669
  194   1HD2  ASN  21           2HD      ASN  21   6.573  -6.090   4.216
  195   2HD2  ASN  21           1HD      ASN  21   5.310  -7.184   4.547
  196    QB   ASN  21           QB       ASN  21   5.482  -7.796   7.301
  197    QD2  ASN  21           QD2      ASN  21   5.942  -6.638   4.381
  198    H    ASP  22           HN       ASP  22   2.939  -7.238   6.025
  199    HA   ASP  22           HA       ASP  22   2.939  -5.238   4.033
  200   1HB   ASP  22           2HB      ASP  22   0.934  -7.427   4.626
  201   2HB   ASP  22           3HB      ASP  22   1.206  -6.706   3.064
  202    QB   ASP  22           QB       ASP  22   1.070  -7.066   3.846
  203    H    ILE  23           HN       ILE  23   1.276  -5.235   6.960
  204    HA   ILE  23           HA       ILE  23  -0.739  -3.241   5.993
  205    HB   ILE  23           HB       ILE  23  -0.456  -4.452   8.784
  206   1HG1  ILE  23           2HG      ILE  23  -2.350  -5.333   6.587
  207   2HG1  ILE  23           3HG      ILE  23  -0.828  -6.139   6.933
  208   1HG2  ILE  23           2HG      ILE  23  -1.739  -2.327   8.591
  209   2HG2  ILE  23           3HG      ILE  23  -2.778  -3.059   7.373
  210   3HG2  ILE  23           1HG      ILE  23  -2.789  -3.666   9.025
  211   1HD1  ILE  23           2HD      ILE  23  -1.553  -6.536   9.261
  212   2HD1  ILE  23           3HD      ILE  23  -3.100  -5.776   8.902
  213   3HD1  ILE  23           1HD      ILE  23  -2.641  -7.276   8.100
  214    QG1  ILE  23           QG1      ILE  23  -1.589  -5.736   6.760
  215    QG2  ILE  23           QG2      ILE  23  -2.435  -3.017   8.330
  216    QD1  ILE  23           QD1      ILE  23  -2.431  -6.529   8.755
  217    H    SER  24           HN       SER  24   1.421  -3.755   8.728
  218    HA   SER  24           HA       SER  24   1.643  -1.205   9.793
  219   1HB   SER  24           2HB      SER  24   4.026  -3.072   9.305
  220   2HB   SER  24           3HB      SER  24   3.784  -1.965  10.678
  221    HG   SER  24           HG       SER  24   2.642  -4.453  10.169
  222    QB   SER  24           QB       SER  24   3.905  -2.519   9.992
  223    H    GLU  25           HN       GLU  25   3.410  -2.588   7.066
  224    HA   GLU  25           HA       GLU  25   5.013  -0.418   6.298
  225   1HB   GLU  25           2HB      GLU  25   3.670  -2.705   4.886
  226   2HB   GLU  25           3HB      GLU  25   4.346  -1.436   3.886
  227   1HG   GLU  25           2HG      GLU  25   5.996  -2.623   6.116
  228   2HG   GLU  25           3HG      GLU  25   5.888  -3.451   4.574
  229    QB   GLU  25           QB       GLU  25   4.008  -2.071   4.385
  230    QG   GLU  25           QG       GLU  25   5.942  -3.037   5.346
  231    H    LEU  26           HN       LEU  26   1.593  -1.034   5.343
  232    HA   LEU  26           HA       LEU  26   1.357   1.283   3.730
  233   1HB   LEU  26           2HB      LEU  26  -0.563  -0.477   5.284
  234   2HB   LEU  26           3HB      LEU  26  -1.109   0.845   4.320
  235    HG   LEU  26           HG       LEU  26   0.523  -1.479   3.281
  236   1HD1  LEU  26           3HD      LEU  26  -2.428  -0.822   2.942
  237   2HD1  LEU  26           1HD      LEU  26  -1.581  -2.149   2.157
  238   3HD1  LEU  26           2HD      LEU  26  -1.774  -2.141   3.903
  239   1HD2  LEU  26           3HD      LEU  26  -0.852   0.803   1.814
  240   2HD2  LEU  26           1HD      LEU  26   0.883   0.579   1.955
  241   3HD2  LEU  26           2HD      LEU  26  -0.077  -0.570   1.041
  242    QB   LEU  26           QB       LEU  26  -0.836   0.184   4.802
  243    QD1  LEU  26           QD1      LEU  26  -1.928  -1.704   3.001
  244    QD2  LEU  26           QD2      LEU  26  -0.015   0.270   1.603
  245    QQD  LEU  26           QQD      LEU  26  -0.971  -0.717   2.302
  246    H    HIS  27           HN       HIS  27   0.936   0.646   7.153
  247    HA   HIS  27           HA       HIS  27  -0.250   3.182   7.846
  248   1HB   HIS  27           2HB      HIS  27   1.437   1.261   9.471
  249   2HB   HIS  27           3HB      HIS  27   0.632   2.631  10.152
  250    HD1  HIS  27           HD1      HIS  27  -0.824   1.227  11.577
  251    HD2  HIS  27           HD2      HIS  27  -1.347   0.284   7.617
  252    HE1  HIS  27           HE1      HIS  27  -2.875  -0.242  11.466
  253    QB   HIS  27           QB       HIS  27   1.035   1.946   9.811
  254    H    GLU  28           HN       GLU  28   3.131   2.034   8.026
  255    HA   GLU  28           HA       GLU  28   4.467   4.127   9.061
  256   1HB   GLU  28           2HB      GLU  28   4.984   2.132   6.836
  257   2HB   GLU  28           3HB      GLU  28   6.209   3.050   7.581
  258   1HG   GLU  28           2HG      GLU  28   4.430   1.336   9.260
  259   2HG   GLU  28           3HG      GLU  28   5.855   0.672   8.481
  260    QB   GLU  28           QB       GLU  28   5.596   2.590   7.208
  261    QG   GLU  28           QG       GLU  28   5.143   1.004   8.870
  262    H    LEU  29           HN       LEU  29   3.434   3.673   5.718
  263    HA   LEU  29           HA       LEU  29   4.749   5.982   4.633
  264   1HB   LEU  29           2HB      LEU  29   3.351   3.805   3.642
  265   2HB   LEU  29           3HB      LEU  29   2.246   5.116   3.302
  266    HG   LEU  29           HG       LEU  29   3.835   4.580   1.419
  267   1HD1  LEU  29           3HD      LEU  29   2.866   6.842   1.589
  268   2HD1  LEU  29           1HD      LEU  29   4.227   7.355   2.580
  269   3HD1  LEU  29           2HD      LEU  29   4.483   6.876   0.904
  270   1HD2  LEU  29           2HD      LEU  29   5.805   4.045   2.846
  271   2HD2  LEU  29           3HD      LEU  29   6.173   5.193   1.576
  272   3HD2  LEU  29           1HD      LEU  29   5.977   5.748   3.229
  273    QB   LEU  29           QB       LEU  29   2.799   4.461   3.472
  274    QD1  LEU  29           QD1      LEU  29   3.859   7.025   1.691
  275    QD2  LEU  29           QD2      LEU  29   5.985   4.995   2.550
  276    QQD  LEU  29           QQD      LEU  29   4.922   6.010   2.121
  277    H    ALA  30           HN       ALA  30   1.582   5.551   6.143
  278    HA   ALA  30           HA       ALA  30   0.195   7.838   5.382
  279   1HB   ALA  30           2HB      ALA  30  -0.662   6.228   7.062
  280   2HB   ALA  30           3HB      ALA  30   0.508   6.826   8.235
  281   3HB   ALA  30           1HB      ALA  30  -0.785   7.879   7.663
  282    QB   ALA  30           QB       ALA  30  -0.313   6.977   7.653
  283    H    SER  31           HN       SER  31   2.772   7.632   7.766
  284    HA   SER  31           HA       SER  31   3.042  10.099   8.856
  285   1HB   SER  31           2HB      SER  31   5.374   8.688   7.503
  286   2HB   SER  31           3HB      SER  31   5.424   9.705   8.961
  287    HG   SER  31           HG       SER  31   4.712   7.094   8.707
  288    QB   SER  31           QB       SER  31   5.399   9.197   8.233
  289    H    THR  32           HN       THR  32   4.234   9.346   5.569
  290    HA   THR  32           HA       THR  32   4.377  12.296   5.069
  291    HB   THR  32           HB       THR  32   5.948  11.578   3.161
  292    HG1  THR  32          1HG       THR  32   6.149   9.472   2.878
  293   1HG2  THR  32           3HG      THR  32   6.883  12.188   5.462
  294   2HG2  THR  32           1HG      THR  32   6.725  10.496   5.918
  295   3HG2  THR  32           2HG      THR  32   7.840  10.961   4.638
  296    QG2  THR  32           QG2      THR  32   7.150  11.215   5.339
  297    NH1  ARG  33           NH1      ARG  33  -2.216  10.854   0.372
  298    NH2  ARG  33           NH2      ARG  33  -4.327  11.493   0.919
  299    H    ARG  33           HN       ARG  33   2.403   9.814   4.698
  300    HA   ARG  33           HA       ARG  33   0.934   8.999   3.015
  301   1HB   ARG  33           2HB      ARG  33   0.153  11.207   4.434
  302   2HB   ARG  33           3HB      ARG  33  -0.132  11.755   2.786
  303   1HG   ARG  33           2HG      ARG  33  -1.314   9.486   2.414
  304   2HG   ARG  33           3HG      ARG  33  -1.264   9.302   4.160
  305   1HD   ARG  33           2HD      ARG  33  -3.421  10.266   3.496
  306   2HD   ARG  33           3HD      ARG  33  -2.502  11.463   4.407
  307    HE   ARG  33           HE       ARG  33  -2.335  12.775   2.417
  308   1HH1  ARG  33           2HH      ARG  33  -1.241  10.771   0.624
  309   2HH1  ARG  33           1HH      ARG  33  -2.528  10.494  -0.512
  310   1HH2  ARG  33           2HH      ARG  33  -4.947  11.928   1.569
  311   2HH2  ARG  33           1HH      ARG  33  -4.695  11.103   0.058
  312    QB   ARG  33           QB       ARG  33   0.010  11.480   3.611
  313    QG   ARG  33           QG       ARG  33  -1.289   9.394   3.288
  314    QD   ARG  33           QD       ARG  33  -2.962  10.865   3.951
  315    QH1  ARG  33           QH1      ARG  33  -1.884  10.633   0.055
  316    QH2  ARG  33           QH2      ARG  33  -4.820  11.516   0.814
  317    H    GLN  34           HN       GLN  34   3.303   9.596   1.642
  318    HA   GLN  34           HA       GLN  34   2.960  11.305  -0.618
  319   1HB   GLN  34           2HB      GLN  34   4.668   8.832  -0.177
  320   2HB   GLN  34           3HB      GLN  34   4.758   9.793  -1.647
  321   1HG   GLN  34           2HG      GLN  34   5.532  11.719  -0.479
  322   2HG   GLN  34           3HG      GLN  34   5.018  11.089   1.079
  323   1HE2  GLN  34           2HE      GLN  34   8.691  10.121  -0.334
  324   2HE2  GLN  34           1HE      GLN  34   7.661  11.151  -1.206
  325    QB   GLN  34           QB       GLN  34   4.713   9.313  -0.913
  326    QG   GLN  34           QG       GLN  34   5.275  11.404   0.300
  327    QE2  GLN  34           QE2      GLN  34   8.176  10.635  -0.770
  328    H    ILE  35           HN       ILE  35   1.543   8.354   0.132
  329    HA   ILE  35           HA       ILE  35   0.590   7.942  -2.670
  330    HB   ILE  35           HB       ILE  35   0.136   5.586  -1.966
  331   1HG1  ILE  35           2HG      ILE  35   1.548   4.973   0.229
  332   2HG1  ILE  35           3HG      ILE  35   1.168   6.630   0.653
  333   1HG2  ILE  35           1HG      ILE  35   2.988   6.485  -1.507
  334   2HG2  ILE  35           2HG      ILE  35   2.480   4.833  -1.835
  335   3HG2  ILE  35           3HG      ILE  35   2.259   6.077  -3.060
  336   1HD1  ILE  35           3HD      ILE  35  -0.939   4.603  -0.138
  337   2HD1  ILE  35           1HD      ILE  35  -0.487   4.980   1.515
  338   3HD1  ILE  35           2HD      ILE  35  -1.213   6.212   0.502
  339    QG1  ILE  35           QG1      ILE  35   1.357   5.802   0.441
  340    QG2  ILE  35           QG2      ILE  35   2.576   5.798  -2.133
  341    QD1  ILE  35           QD1      ILE  35  -0.880   5.265   0.626
  342    H    ASP  36           HN       ASP  36  -1.595   6.608  -2.426
  343    HA   ASP  36           HA       ASP  36  -3.224   7.774  -0.247
  344   1HB   ASP  36           2HB      ASP  36  -3.305   8.633  -2.989
  345   2HB   ASP  36           3HB      ASP  36  -4.807   7.786  -2.623
  346    QB   ASP  36           QB       ASP  36  -4.055   8.209  -2.806
  347    H    PHE  37           HN       PHE  37  -5.513   6.747  -0.472
  348    HA   PHE  37           HA       PHE  37  -5.193   3.859  -1.194
  349   1HB   PHE  37           2HB      PHE  37  -6.371   5.039   1.336
  350   2HB   PHE  37           3HB      PHE  37  -6.578   3.356   0.877
  351    HD1  PHE  37          1HD       PHE  37  -4.041   5.906   1.850
  352    HD2  PHE  37          2HD       PHE  37  -4.798   1.774   1.145
  353    HE1  PHE  37          1HE       PHE  37  -1.971   5.323   3.035
  354    HE2  PHE  37          2HE       PHE  37  -2.761   1.196   2.386
  355    HZ   PHE  37           HZ       PHE  37  -1.313   2.966   3.284
  356    QB   PHE  37           QB       PHE  37  -6.475   4.197   1.107
  357    QR   PHE  37           QR       PHE  37  -3.393   3.550   2.105
  358    CH2  TRP  38           CH2      TRP  38 -11.145   3.620  -8.361
  359    H    TRP  38           HN       TRP  38  -7.728   2.906  -0.782
  360    HA   TRP  38           HA       TRP  38  -9.658   4.858  -1.844
  361   1HB   TRP  38           2HB      TRP  38  -8.334   4.129  -3.818
  362   2HB   TRP  38           3HB      TRP  38  -8.792   2.492  -3.504
  363    HD1  TRP  38           HD1      TRP  38 -11.981   3.969  -2.904
  364    HE1  TRP  38           HE1      TRP  38 -13.415   4.075  -4.943
  365    HE3  TRP  38           HE3      TRP  38  -8.412   3.353  -6.345
  366    HZ2  TRP  38           HZ2      TRP  38 -13.155   3.941  -7.702
  367    HZ3  TRP  38           HZ3      TRP  38  -9.061   3.316  -8.743
  368    HH2  TRP  38           HH2      TRP  38 -11.409   3.602  -9.411
  369    QB   TRP  38           QB       TRP  38  -8.564   3.311  -3.661
  370    H    LYS  39           HN       LYS  39  -9.264   1.331  -1.971
  371    HA   LYS  39           HA       LYS  39 -11.735   1.073  -0.299
  372   1HB   LYS  39           2HB      LYS  39 -11.224  -1.088  -2.281
  373   2HB   LYS  39           3HB      LYS  39 -12.739  -0.411  -1.729
  374   1HG   LYS  39           2HG      LYS  39 -12.512   1.510  -3.185
  375   2HG   LYS  39           3HG      LYS  39 -10.865   1.053  -3.614
  376   1HD   LYS  39           2HD      LYS  39 -11.783  -1.128  -4.513
  377   2HD   LYS  39           3HD      LYS  39 -13.401  -0.510  -4.226
  378   1HE   LYS  39           2HE      LYS  39 -12.714  -0.219  -6.587
  379   2HE   LYS  39           3HE      LYS  39 -13.018   1.326  -5.807
  380   1HZ   LYS  39           2HZ      LYS  39 -10.378   0.935  -5.355
  381   2HZ   LYS  39           3HZ      LYS  39 -10.560   0.264  -6.886
  382   3HZ   LYS  39           1HZ      LYS  39 -11.007   1.878  -6.600
  383    QB   LYS  39           QB       LYS  39 -11.981  -0.749  -2.005
  384    QG   LYS  39           QG       LYS  39 -11.688   1.281  -3.399
  385    QD   LYS  39           QD       LYS  39 -12.593  -0.819  -4.370
  386    QE   LYS  39           QE       LYS  39 -12.866   0.553  -6.197
  387    QZ   LYS  39           QZ       LYS  39 -10.648   1.025  -6.280
  388    HA   PRO  40           HA       PRO  40 -11.462   1.243   1.567
  389   1HB   PRO  40           2HB      PRO  40  -9.870   1.467   3.894
  390   2HB   PRO  40           3HB      PRO  40 -11.346   0.517   3.715
  391   1HG   PRO  40           2HG      PRO  40  -8.674  -0.469   4.065
  392   2HG   PRO  40           3HG      PRO  40 -10.136  -1.422   3.794
  393   1HD   PRO  40           2HD      PRO  40  -8.004  -0.699   1.862
  394   2HD   PRO  40           3HD      PRO  40  -9.215  -1.994   1.761
  395    QB   PRO  40           QB       PRO  40 -10.608   0.992   3.805
  396    QG   PRO  40           QG       PRO  40  -9.405  -0.945   3.929
  397    QD   PRO  40           QD       PRO  40  -8.609  -1.347   1.811
  398    H    ASP  41           HN       ASP  41 -10.845   3.259   2.802
  399    HA   ASP  41           HA       ASP  41  -8.793   4.783   1.289
  400   1HB   ASP  41           2HB      ASP  41 -10.063   6.736   2.116
  401   2HB   ASP  41           3HB      ASP  41 -11.185   5.583   1.400
  402    QB   ASP  41           QB       ASP  41 -10.625   6.160   1.759
  403    H    SER  42           HN       SER  42  -9.921   3.901   4.461
  404    HA   SER  42           HA       SER  42  -7.490   5.017   5.786
  405   1HB   SER  42           2HB      SER  42 -10.151   4.023   6.919
  406   2HB   SER  42           3HB      SER  42  -8.825   4.689   7.890
  407    HG   SER  42           HG       SER  42 -10.259   5.986   5.761
  408    QB   SER  42           QB       SER  42  -9.489   4.356   7.404
  409    H    VAL  43           HN       VAL  43  -5.938   3.594   6.493
  410    HA   VAL  43           HA       VAL  43  -6.495   0.674   6.221
  411    HB   VAL  43           HB       VAL  43  -4.643   1.603   4.909
  412   1HG1  VAL  43           2HG      VAL  43  -3.395   2.376   7.567
  413   2HG1  VAL  43           3HG      VAL  43  -2.592   2.460   6.004
  414   3HG1  VAL  43           1HG      VAL  43  -3.979   3.485   6.332
  415   1HG2  VAL  43           1HG      VAL  43  -3.672  -0.183   7.161
  416   2HG2  VAL  43           2HG      VAL  43  -4.430  -0.719   5.668
  417   3HG2  VAL  43           3HG      VAL  43  -2.846   0.051   5.623
  418    QG1  VAL  43           QG1      VAL  43  -3.322   2.774   6.634
  419    QG2  VAL  43           QG2      VAL  43  -3.649  -0.284   6.151
  420    QQG  VAL  43           QQG      VAL  43  -3.485   1.245   6.392
  421    H    THR  44           HN       THR  44  -7.763   1.276   8.238
  422    HA   THR  44           HA       THR  44  -6.051   0.753  10.638
  423    HB   THR  44           HB       THR  44  -7.939   1.961  11.911
  424    HG1  THR  44          1HG       THR  44  -9.617   2.264  10.649
  425   1HG2  THR  44           2HG      THR  44  -5.832   3.195  11.129
  426   2HG2  THR  44           3HG      THR  44  -6.680   3.567   9.630
  427   3HG2  THR  44           1HG      THR  44  -7.265   4.217  11.157
  428    QG2  THR  44           QG2      THR  44  -6.592   3.660  10.639
  429    H    GLN  45           HN       GLN  45  -8.105  -0.823   8.648
  430    HA   GLN  45           HA       GLN  45  -8.930  -2.665  10.849
  431   1HB   GLN  45           2HB      GLN  45 -11.186  -2.847  10.086
  432   2HB   GLN  45           3HB      GLN  45 -10.848  -1.128  10.191
  433   1HG   GLN  45           2HG      GLN  45 -10.842  -2.805   7.654
  434   2HG   GLN  45           3HG      GLN  45 -12.042  -1.601   8.107
  435   1HE2  GLN  45           2HE      GLN  45 -10.050   1.126   7.039
  436   2HE2  GLN  45           1HE      GLN  45 -11.474   0.645   7.836
  437    QB   GLN  45           QB       GLN  45 -11.016  -1.988  10.138
  438    QG   GLN  45           QG       GLN  45 -11.442  -2.203   7.880
  439    QE2  GLN  45           QE2      GLN  45 -10.763   0.885   7.437
  440    H    ILE  46           HN       ILE  46  -6.931  -2.584   8.578
  441    HA   ILE  46           HA       ILE  46  -7.841  -4.940   7.020
  442    HB   ILE  46           HB       ILE  46  -5.536  -3.034   6.719
  443   1HG1  ILE  46           2HG      ILE  46  -7.582  -2.180   5.877
  444   2HG1  ILE  46           3HG      ILE  46  -6.460  -2.500   4.566
  445   1HG2  ILE  46           3HG      ILE  46  -5.964  -5.535   5.097
  446   2HG2  ILE  46           1HG      ILE  46  -4.786  -4.281   4.730
  447   3HG2  ILE  46           2HG      ILE  46  -4.621  -5.243   6.193
  448   1HD1  ILE  46           1HD      ILE  46  -7.539  -4.681   4.211
  449   2HD1  ILE  46           2HD      ILE  46  -8.698  -4.297   5.480
  450   3HD1  ILE  46           3HD      ILE  46  -8.660  -3.338   4.008
  451    QG1  ILE  46           QG1      ILE  46  -7.021  -2.340   5.221
  452    QG2  ILE  46           QG2      ILE  46  -5.124  -5.020   5.340
  453    QD1  ILE  46           QD1      ILE  46  -8.299  -4.105   4.566
  454    H    LYS  47           HN       LYS  47  -7.011  -6.904   7.288
  455    HA   LYS  47           HA       LYS  47  -4.892  -7.276   9.364
  456   1HB   LYS  47           2HB      LYS  47  -6.098  -9.497   9.807
  457   2HB   LYS  47           3HB      LYS  47  -6.994  -8.061  10.274
  458   1HG   LYS  47           2HG      LYS  47  -8.506  -8.258   8.527
  459   2HG   LYS  47           3HG      LYS  47  -7.372  -9.104   7.493
  460   1HD   LYS  47           2HD      LYS  47  -7.578 -11.026   9.303
  461   2HD   LYS  47           3HD      LYS  47  -9.063 -10.190   9.744
  462   1HE   LYS  47           2HE      LYS  47  -9.495 -11.950   8.041
  463   2HE   LYS  47           3HE      LYS  47  -9.860 -10.347   7.404
  464   1HZ   LYS  47           1HZ      LYS  47  -7.137 -10.971   7.005
  465   2HZ   LYS  47           2HZ      LYS  47  -8.070 -12.198   6.328
  466   3HZ   LYS  47           3HZ      LYS  47  -8.282 -10.577   5.842
  467    QB   LYS  47           QB       LYS  47  -6.547  -8.779  10.041
  468    QG   LYS  47           QG       LYS  47  -7.939  -8.681   8.010
  469    QD   LYS  47           QD       LYS  47  -8.321 -10.608   9.523
  470    QE   LYS  47           QE       LYS  47  -9.678 -11.149   7.723
  471    QZ   LYS  47           QZ       LYS  47  -7.830 -11.249   6.392
  472    HA   PRO  48           HA       PRO  48  -2.643  -9.876   6.471
  473   1HB   PRO  48           2HB      PRO  48  -3.049 -12.243   8.255
  474   2HB   PRO  48           3HB      PRO  48  -1.559 -11.574   7.590
  475   1HG   PRO  48           2HG      PRO  48  -2.216 -11.173  10.183
  476   2HG   PRO  48           3HG      PRO  48  -1.395  -9.925   9.242
  477   1HD   PRO  48           2HD      PRO  48  -4.273 -10.079  10.066
  478   2HD   PRO  48           3HD      PRO  48  -3.236  -8.648   9.865
  479    QB   PRO  48           QB       PRO  48  -2.303 -11.908   7.923
  480    QG   PRO  48           QG       PRO  48  -1.806 -10.550   9.712
  481    QD   PRO  48           QD       PRO  48  -3.754  -9.364   9.966
  482    H    HIS  49           HN       HIS  49  -2.871 -11.887   5.115
  483    HA   HIS  49           HA       HIS  49  -4.150 -12.961   3.486
  484   1HB   HIS  49           2HB      HIS  49  -5.333 -14.750   4.308
  485   2HB   HIS  49           3HB      HIS  49  -4.306 -14.358   5.645
  486    HD1  HIS  49           HD1      HIS  49  -7.817 -13.890   4.552
  487    HD2  HIS  49           HD2      HIS  49  -5.717 -14.042   8.088
  488    HE1  HIS  49           HE1      HIS  49  -9.531 -14.178   6.397
  489    QB   HIS  49           QB       HIS  49  -4.819 -14.554   4.976
  490    H    SER  50           HN       SER  50  -4.685 -10.338   3.583
  491    HA   SER  50           HA       SER  50  -7.570 -10.232   2.820
  492   1HB   SER  50           2HB      SER  50  -6.165  -7.942   4.247
  493   2HB   SER  50           3HB      SER  50  -7.903  -8.127   3.936
  494    HG   SER  50           HG       SER  50  -6.221  -9.466   5.744
  495    QB   SER  50           QB       SER  50  -7.033  -8.035   4.091
  496    H    THR  51           HN       THR  51  -7.982  -8.381   1.372
  497    HA   THR  51           HA       THR  51  -5.533  -7.554  -0.141
  498    HB   THR  51           HB       THR  51  -8.238  -8.101  -1.433
  499    HG1  THR  51          1HG       THR  51  -5.990  -9.836  -1.103
  500   1HG2  THR  51           3HG      THR  51  -5.362  -8.282  -2.460
  501   2HG2  THR  51           1HG      THR  51  -6.819  -8.506  -3.418
  502   3HG2  THR  51           2HG      THR  51  -6.422  -6.916  -2.770
  503    QG2  THR  51           QG2      THR  51  -6.202  -7.902  -2.882
  504    H    VAL  52           HN       VAL  52  -5.634  -5.421  -0.992
  505    HA   VAL  52           HA       VAL  52  -8.051  -3.850  -0.249
  506    HB   VAL  52           HB       VAL  52  -6.572  -1.980   0.493
  507   1HG1  VAL  52           1HG      VAL  52  -6.129  -4.587   1.980
  508   2HG1  VAL  52           2HG      VAL  52  -5.849  -2.989   2.649
  509   3HG1  VAL  52           3HG      VAL  52  -7.481  -3.487   2.206
  510   1HG2  VAL  52           3HG      VAL  52  -4.353  -4.028   0.191
  511   2HG2  VAL  52           1HG      VAL  52  -4.561  -2.571  -0.773
  512   3HG2  VAL  52           2HG      VAL  52  -4.177  -2.444   0.939
  513    QG1  VAL  52           QG1      VAL  52  -6.487  -3.688   2.278
  514    QG2  VAL  52           QG2      VAL  52  -4.364  -3.014   0.119
  515    QQG  VAL  52           QQG      VAL  52  -5.425  -3.351   1.199
  516    H    ASP  53           HN       ASP  53  -8.215  -1.886  -1.360
  517    HA   ASP  53           HA       ASP  53  -6.900  -1.937  -4.059
  518   1HB   ASP  53           2HB      ASP  53  -9.423  -2.066  -3.995
  519   2HB   ASP  53           3HB      ASP  53  -9.460  -0.552  -3.097
  520    QB   ASP  53           QB       ASP  53  -9.441  -1.309  -3.547
  521    H    PHE  54           HN       PHE  54  -5.258  -0.708  -3.954
  522    HA   PHE  54           HA       PHE  54  -5.006   1.586  -2.099
  523   1HB   PHE  54           2HB      PHE  54  -3.377  -0.325  -2.177
  524   2HB   PHE  54           3HB      PHE  54  -3.011   0.082  -3.839
  525    HD1  PHE  54          1HD       PHE  54  -2.076   2.440  -4.294
  526    HD2  PHE  54          2HD       PHE  54  -2.214   0.723  -0.405
  527    HE1  PHE  54          1HE       PHE  54  -0.131   3.775  -3.637
  528    HE2  PHE  54          2HE       PHE  54  -0.283   2.080   0.257
  529    HZ   PHE  54           HZ       PHE  54   0.788   3.560  -1.373
  530    QB   PHE  54           QB       PHE  54  -3.194  -0.121  -3.008
  531    QR   PHE  54           QR       PHE  54  -1.176   2.254  -2.020
  532    NH1  ARG  55           NH1      ARG  55  -4.874  10.035  -4.251
  533    NH2  ARG  55           NH2      ARG  55  -4.307  10.864  -6.290
  534    H    ARG  55           HN       ARG  55  -4.228   3.657  -2.957
  535    HA   ARG  55           HA       ARG  55  -5.040   4.001  -5.827
  536   1HB   ARG  55           2HB      ARG  55  -6.510   5.047  -4.110
  537   2HB   ARG  55           3HB      ARG  55  -5.159   5.998  -3.539
  538   1HG   ARG  55           2HG      ARG  55  -6.150   6.103  -6.408
  539   2HG   ARG  55           3HG      ARG  55  -6.771   7.162  -5.154
  540   1HD   ARG  55           2HD      ARG  55  -4.146   7.635  -4.775
  541   2HD   ARG  55           3HD      ARG  55  -4.090   7.147  -6.466
  542    HE   ARG  55           HE       ARG  55  -5.878   8.939  -6.872
  543   1HH1  ARG  55           2HH      ARG  55  -5.294   9.299  -3.721
  544   2HH1  ARG  55           1HH      ARG  55  -4.499  10.833  -3.767
  545   1HH2  ARG  55           2HH      ARG  55  -4.301  10.731  -7.291
  546   2HH2  ARG  55           1HH      ARG  55  -3.945  11.705  -5.897
  547    QB   ARG  55           QB       ARG  55  -5.834   5.523  -3.825
  548    QG   ARG  55           QG       ARG  55  -6.460   6.633  -5.781
  549    QD   ARG  55           QD       ARG  55  -4.118   7.391  -5.621
  550    QH1  ARG  55           QH1      ARG  55  -4.897  10.066  -3.744
  551    QH2  ARG  55           QH2      ARG  55  -4.123  11.218  -6.595
  552    H    VAL  56           HN       VAL  56  -3.619   4.842  -7.223
  553    HA   VAL  56           HA       VAL  56  -1.226   6.224  -6.187
  554    HB   VAL  56           HB       VAL  56  -0.107   5.009  -8.144
  555   1HG1  VAL  56           3HG      VAL  56  -1.069   3.414  -5.758
  556   2HG1  VAL  56           1HG      VAL  56   0.310   2.972  -6.759
  557   3HG1  VAL  56           2HG      VAL  56   0.357   4.443  -5.792
  558   1HG2  VAL  56           3HG      VAL  56  -2.118   4.218  -9.266
  559   2HG2  VAL  56           1HG      VAL  56  -1.095   2.869  -8.811
  560   3HG2  VAL  56           2HG      VAL  56  -2.530   3.235  -7.866
  561    QG1  VAL  56           QG1      VAL  56  -0.134   3.609  -6.103
  562    QG2  VAL  56           QG2      VAL  56  -1.915   3.441  -8.648
  563    QQG  VAL  56           QQG      VAL  56  -1.024   3.525  -7.376
  564    H    LYS  57           HN       LYS  57  -0.059   7.120  -8.193
  565    HA   LYS  57           HA       LYS  57  -1.974   8.425 -10.072
  566   1HB   LYS  57           2HB      LYS  57  -0.550  10.461  -9.862
  567   2HB   LYS  57           3HB      LYS  57  -1.256  10.025  -8.324
  568   1HG   LYS  57           2HG      LYS  57   0.827   8.952  -7.609
  569   2HG   LYS  57           3HG      LYS  57   1.562   9.230  -9.179
  570   1HD   LYS  57           2HD      LYS  57   0.499  11.635  -7.742
  571   2HD   LYS  57           3HD      LYS  57   1.943  10.880  -7.078
  572   1HE   LYS  57           2HE      LYS  57   2.653  12.582  -8.635
  573   2HE   LYS  57           3HE      LYS  57   3.016  11.023  -9.332
  574   1HZ   LYS  57           2HZ      LYS  57   0.425  11.868 -10.135
  575   2HZ   LYS  57           3HZ      LYS  57   1.582  13.061 -10.500
  576   3HZ   LYS  57           1HZ      LYS  57   1.780  11.491 -11.083
  577    QB   LYS  57           QB       LYS  57  -0.903  10.242  -9.094
  578    QG   LYS  57           QG       LYS  57   1.195   9.091  -8.395
  579    QD   LYS  57           QD       LYS  57   1.221  11.257  -7.410
  580    QE   LYS  57           QE       LYS  57   2.835  11.802  -8.984
  581    QZ   LYS  57           QZ       LYS  57   1.262  12.139 -10.572
  582    H    ALA  58           HN       ALA  58   0.263   9.771 -11.355
  583    HA   ALA  58           HA       ALA  58   1.885   7.501 -12.427
  584   1HB   ALA  58           3HB      ALA  58   0.021   8.125 -13.990
  585   2HB   ALA  58           1HB      ALA  58   0.669   9.763 -14.019
  586   3HB   ALA  58           2HB      ALA  58   1.610   8.439 -14.671
  587    QB   ALA  58           QB       ALA  58   0.767   8.776 -14.227
  588    H    GLU  59           HN       GLU  59   3.485   8.920 -14.129
  589    HA   GLU  59           HA       GLU  59   5.257  10.447 -14.277
  590   1HB   GLU  59           2HB      GLU  59   4.104  11.932 -11.908
  591   2HB   GLU  59           3HB      GLU  59   5.176  12.550 -13.145
  592   1HG   GLU  59           2HG      GLU  59   3.417  13.156 -14.414
  593   2HG   GLU  59           3HG      GLU  59   2.823  11.498 -14.441
  594    QB   GLU  59           QB       GLU  59   4.640  12.241 -12.527
  595    QG   GLU  59           QG       GLU  59   3.120  12.327 -14.428
  596    H    ASP  60           HN       ASP  60   4.505   9.599 -10.886
  597    HA   ASP  60           HA       ASP  60   7.455   9.534 -10.417
  598   1HB   ASP  60           2HB      ASP  60   7.030   9.933  -8.088
  599   2HB   ASP  60           3HB      ASP  60   6.041  11.083  -8.977
  600    QB   ASP  60           QB       ASP  60   6.535  10.509  -8.532
  601    H    ILE  61           HN       ILE  61   4.508   7.684 -10.011
  602    HA   ILE  61           HA       ILE  61   4.408   5.604  -8.682
  603    HB   ILE  61           HB       ILE  61   5.108   5.219 -11.604
  604   1HG1  ILE  61           2HG      ILE  61   2.487   4.849 -10.103
  605   2HG1  ILE  61           3HG      ILE  61   2.965   6.399 -10.773
  606   1HG2  ILE  61           3HG      ILE  61   4.170   3.160  -9.558
  607   2HG2  ILE  61           1HG      ILE  61   4.164   2.891 -11.290
  608   3HG2  ILE  61           2HG      ILE  61   5.685   3.114 -10.448
  609   1HD1  ILE  61           3HD      ILE  61   2.683   3.828 -12.374
  610   2HD1  ILE  61           1HD      ILE  61   1.495   5.122 -12.322
  611   3HD1  ILE  61           2HD      ILE  61   3.078   5.417 -13.026
  612    QG1  ILE  61           QG1      ILE  61   2.727   5.625 -10.439
  613    QG2  ILE  61           QG2      ILE  61   4.673   3.055 -10.432
  614    QD1  ILE  61           QD1      ILE  61   2.418   4.789 -12.574
  615    H    LEU  62           HN       LEU  62   7.228   5.247 -10.806
  616    HA   LEU  62           HA       LEU  62   8.693   3.268  -9.738
  617   1HB   LEU  62           2HB      LEU  62   9.766   6.077 -10.167
  618   2HB   LEU  62           3HB      LEU  62  10.765   4.637 -10.083
  619    HG   LEU  62           HG       LEU  62   8.567   5.081 -12.151
  620   1HD1  LEU  62           3HD      LEU  62  10.456   6.658 -12.443
  621   2HD1  LEU  62           1HD      LEU  62  11.590   5.312 -12.403
  622   3HD1  LEU  62           2HD      LEU  62  10.437   5.455 -13.726
  623   1HD2  LEU  62           2HD      LEU  62  10.767   2.985 -11.937
  624   2HD2  LEU  62           3HD      LEU  62   9.046   2.691 -11.699
  625   3HD2  LEU  62           1HD      LEU  62   9.646   3.151 -13.284
  626    QB   LEU  62           QB       LEU  62  10.266   5.357 -10.126
  627    QD1  LEU  62           QD1      LEU  62  10.828   5.808 -12.858
  628    QD2  LEU  62           QD2      LEU  62   9.820   2.942 -12.307
  629    QQD  LEU  62           QQD      LEU  62  10.324   4.375 -12.582
  630    H    ALA  63           HN       ALA  63   8.509   6.460  -8.195
  631    HA   ALA  63           HA       ALA  63  10.105   5.889  -5.914
  632   1HB   ALA  63           1HB      ALA  63   7.689   7.740  -6.135
  633   2HB   ALA  63           2HB      ALA  63   8.893   7.797  -4.847
  634   3HB   ALA  63           3HB      ALA  63   9.353   8.187  -6.502
  635    QB   ALA  63           QB       ALA  63   8.645   7.908  -5.828
  636    H    VAL  64           HN       VAL  64   6.549   5.691  -6.225
  637    HA   VAL  64           HA       VAL  64   6.102   4.622  -3.568
  638    HB   VAL  64           HB       VAL  64   4.497   4.130  -6.133
  639   1HG1  VAL  64           2HG      VAL  64   3.751   3.996  -3.191
  640   2HG1  VAL  64           3HG      VAL  64   2.624   3.801  -4.527
  641   3HG1  VAL  64           1HG      VAL  64   3.907   2.624  -4.279
  642   1HG2  VAL  64           3HG      VAL  64   4.247   6.352  -4.068
  643   2HG2  VAL  64           1HG      VAL  64   4.817   6.556  -5.721
  644   3HG2  VAL  64           2HG      VAL  64   3.149   6.087  -5.419
  645    QG1  VAL  64           QG1      VAL  64   3.428   3.474  -3.999
  646    QG2  VAL  64           QG2      VAL  64   4.071   6.331  -5.070
  647    QQG  VAL  64           QQG      VAL  64   3.749   4.903  -4.534
  648    H    GLU  65           HN       GLU  65   6.439   3.064  -6.763
  649    HA   GLU  65           HA       GLU  65   6.235   0.386  -6.066
  650   1HB   GLU  65           2HB      GLU  65   8.401   1.507  -7.894
  651   2HB   GLU  65           3HB      GLU  65   7.778  -0.138  -7.903
  652   1HG   GLU  65           2HG      GLU  65   6.240   2.380  -8.602
  653   2HG   GLU  65           3HG      GLU  65   6.678   1.069  -9.692
  654    QB   GLU  65           QB       GLU  65   8.089   0.684  -7.899
  655    QG   GLU  65           QG       GLU  65   6.458   1.724  -9.147
  656    H    ASP  66           HN       ASP  66   9.213   2.341  -5.822
  657    HA   ASP  66           HA       ASP  66  10.991   0.508  -4.746
  658   1HB   ASP  66           2HB      ASP  66  11.476   2.945  -5.091
  659   2HB   ASP  66           3HB      ASP  66  10.508   3.320  -3.675
  660    QB   ASP  66           QB       ASP  66  10.992   3.132  -4.384
  661    H    PHE  67           HN       PHE  67   8.625   2.362  -2.910
  662    HA   PHE  67           HA       PHE  67   9.132   1.195  -0.353
  663   1HB   PHE  67           2HB      PHE  67   7.842   3.342  -0.834
  664   2HB   PHE  67           3HB      PHE  67   6.490   2.347  -1.353
  665    HD1  PHE  67          2HD       PHE  67   8.833   2.647   1.576
  666    HD2  PHE  67          1HD       PHE  67   4.889   1.749   0.242
  667    HE1  PHE  67          2HE       PHE  67   8.150   2.176   3.894
  668    HE2  PHE  67          1HE       PHE  67   4.202   1.346   2.565
  669    HZ   PHE  67           HZ       PHE  67   5.838   1.530   4.385
  670    QB   PHE  67           QB       PHE  67   7.165   2.844  -1.093
  671    QR   PHE  67           QR       PHE  67   6.518   1.980   2.069
  672    H    LEU  68           HN       LEU  68   6.659   0.468  -2.778
  673    HA   LEU  68           HA       LEU  68   5.548  -1.757  -1.268
  674   1HB   LEU  68           2HB      LEU  68   5.363  -1.280  -4.256
  675   2HB   LEU  68           3HB      LEU  68   4.280  -2.265  -3.283
  676    HG   LEU  68           HG       LEU  68   4.641   0.747  -3.060
  677   1HD1  LEU  68           2HD      LEU  68   3.350  -0.035  -5.037
  678   2HD1  LEU  68           3HD      LEU  68   2.292  -0.952  -3.973
  679   3HD1  LEU  68           1HD      LEU  68   2.323   0.807  -3.883
  680   1HD2  LEU  68           3HD      LEU  68   2.817  -1.150  -1.530
  681   2HD2  LEU  68           1HD      LEU  68   4.186  -0.272  -0.853
  682   3HD2  LEU  68           2HD      LEU  68   2.773   0.608  -1.421
  683    QB   LEU  68           QB       LEU  68   4.822  -1.772  -3.769
  684    QD1  LEU  68           QD1      LEU  68   2.655  -0.060  -4.298
  685    QD2  LEU  68           QD2      LEU  68   3.258  -0.271  -1.268
  686    QQD  LEU  68           QQD      LEU  68   2.956  -0.166  -2.782
  687    H    GLU  69           HN       GLU  69   8.355  -1.419  -3.057
  688    HA   GLU  69           HA       GLU  69   8.571  -4.318  -3.696
  689   1HB   GLU  69           2HB      GLU  69   9.062  -2.754  -5.540
  690   2HB   GLU  69           3HB      GLU  69  10.234  -1.922  -4.542
  691   1HG   GLU  69           2HG      GLU  69  11.165  -4.506  -4.351
  692   2HG   GLU  69           3HG      GLU  69  10.500  -4.497  -5.975
  693    QB   GLU  69           QB       GLU  69   9.649  -2.339  -5.042
  694    QG   GLU  69           QG       GLU  69  10.833  -4.502  -5.163
  695    H    GLN  70           HN       GLN  70  11.029  -1.899  -2.833
  696    HA   GLN  70           HA       GLN  70  12.949  -3.442  -1.682
  697   1HB   GLN  70           2HB      GLN  70  11.868  -0.799  -0.678
  698   2HB   GLN  70           3HB      GLN  70  13.265  -1.568   0.062
  699   1HG   GLN  70           2HG      GLN  70  14.048  -1.738  -2.512
  700   2HG   GLN  70           3HG      GLN  70  13.001  -0.327  -2.646
  701   1HE2  GLN  70           2HE      GLN  70  15.302   1.771  -1.015
  702   2HE2  GLN  70           1HE      GLN  70  13.863   1.626  -1.909
  703    QB   GLN  70           QB       GLN  70  12.567  -1.184  -0.309
  704    QG   GLN  70           QG       GLN  70  13.525  -1.032  -2.579
  705    QE2  GLN  70           QE2      GLN  70  14.582   1.699  -1.461
  706    H    ASN  71           HN       ASN  71  10.002  -2.437  -0.091
  707    HA   ASN  71           HA       ASN  71  10.614  -4.037   2.318
  708   1HB   ASN  71           2HB      ASN  71   7.966  -2.701   1.716
  709   2HB   ASN  71           3HB      ASN  71   8.722  -2.985   3.279
  710   1HD2  ASN  71           2HD      ASN  71   9.225   0.577   1.931
  711   2HD2  ASN  71           1HD      ASN  71   7.835  -0.399   2.006
  712    QB   ASN  71           QB       ASN  71   8.345  -2.843   2.497
  713    QD2  ASN  71           QD2      ASN  71   8.530   0.089   1.968
  714    H    GLU  72           HN       GLU  72   8.576  -4.069  -0.474
  715    HA   GLU  72           HA       GLU  72   7.566  -5.778  -1.647
  716   1HB   GLU  72           2HB      GLU  72   9.578  -7.075  -0.238
  717   2HB   GLU  72           3HB      GLU  72   8.143  -7.996   0.186
  718   1HG   GLU  72           2HG      GLU  72   8.698  -7.245  -2.692
  719   2HG   GLU  72           3HG      GLU  72   9.445  -8.665  -1.971
  720    QB   GLU  72           QB       GLU  72   8.861  -7.535  -0.026
  721    QG   GLU  72           QG       GLU  72   9.072  -7.955  -2.332
  722    H    LEU  73           HN       LEU  73   5.532  -4.847  -1.125
  723    HA   LEU  73           HA       LEU  73   4.022  -6.263   0.983
  724   1HB   LEU  73           2HB      LEU  73   3.063  -3.868  -0.576
  725   2HB   LEU  73           3HB      LEU  73   2.631  -4.393   1.019
  726    HG   LEU  73           HG       LEU  73   5.225  -3.092   0.211
  727   1HD1  LEU  73           2HD      LEU  73   3.254  -1.616   0.598
  728   2HD1  LEU  73           3HD      LEU  73   3.064  -2.317   2.200
  729   3HD1  LEU  73           1HD      LEU  73   4.502  -1.369   1.814
  730   1HD2  LEU  73           2HD      LEU  73   5.664  -4.908   1.873
  731   2HD2  LEU  73           3HD      LEU  73   5.939  -3.310   2.534
  732   3HD2  LEU  73           1HD      LEU  73   4.472  -4.186   2.936
  733    QB   LEU  73           QB       LEU  73   2.846  -4.130   0.222
  734    QD1  LEU  73           QD1      LEU  73   3.606  -1.767   1.538
  735    QD2  LEU  73           QD2      LEU  73   5.359  -4.135   2.448
  736    QQD  LEU  73           QQD      LEU  73   4.482  -2.951   1.993
  737    H    GLN  74           HN       GLN  74   4.461  -7.883  -0.972
  738    HA   GLN  74           HA       GLN  74   3.647  -8.821  -3.052
  739   1HB   GLN  74           2HB      GLN  74   1.617  -9.288  -0.847
  740   2HB   GLN  74           3HB      GLN  74   1.693 -10.238  -2.325
  741   1HG   GLN  74           2HG      GLN  74   2.942 -11.449  -0.643
  742   2HG   GLN  74           3HG      GLN  74   4.137 -10.740  -1.730
  743   1HE2  GLN  74           2HE      GLN  74   5.594  -8.846   0.861
  744   2HE2  GLN  74           1HE      GLN  74   5.750  -9.530  -0.694
  745    QB   GLN  74           QB       GLN  74   1.655  -9.763  -1.586
  746    QG   GLN  74           QG       GLN  74   3.539 -11.094  -1.187
  747    QE2  GLN  74           QE2      GLN  74   5.672  -9.188   0.083
  748    OH   TYR  75           OH       TYR  75   5.978  -2.792  -7.457
  749    H    TYR  75           HN       TYR  75   3.219  -6.764  -4.181
  750    HA   TYR  75           HA       TYR  75   0.287  -6.457  -4.664
  751   1HB   TYR  75           2HB      TYR  75   0.531  -4.112  -4.980
  752   2HB   TYR  75           3HB      TYR  75   1.525  -4.440  -3.560
  753    HD1  TYR  75           HD1      TYR  75   4.036  -4.834  -3.931
  754    HD2  TYR  75           HD2      TYR  75   1.517  -3.208  -6.961
  755    HE1  TYR  75           HE1      TYR  75   6.011  -4.104  -5.186
  756    HE2  TYR  75           HE2      TYR  75   3.497  -2.483  -8.201
  757    HH   TYR  75           HH       TYR  75   5.689  -2.051  -8.019
  758    QB   TYR  75           QB       TYR  75   1.028  -4.276  -4.270
  759    QR   TYR  75           QR       TYR  75   3.765  -3.657  -6.070
  760    H    GLU  76           HN       GLU  76  -0.168  -5.695  -6.878
  761    HA   GLU  76           HA       GLU  76   1.920  -6.288  -8.883
  762   1HB   GLU  76           2HB      GLU  76  -0.747  -7.766  -8.917
  763   2HB   GLU  76           3HB      GLU  76   0.568  -7.955 -10.063
  764   1HG   GLU  76           2HG      GLU  76   2.031  -8.875  -8.317
  765   2HG   GLU  76           3HG      GLU  76   0.800  -8.590  -7.094
  766    QB   GLU  76           QB       GLU  76  -0.090  -7.860  -9.491
  767    QG   GLU  76           QG       GLU  76   1.416  -8.732  -7.706
  768    H    VAL  77           HN       VAL  77   1.135  -5.684 -11.070
  769    HA   VAL  77           HA       VAL  77  -0.905  -3.495 -10.901
  770    HB   VAL  77           HB       VAL  77   1.388  -3.720 -12.891
  771   1HG1  VAL  77           1HG      VAL  77  -0.393  -1.398 -12.061
  772   2HG1  VAL  77           2HG      VAL  77   0.941  -1.296 -13.207
  773   3HG1  VAL  77           3HG      VAL  77  -0.471  -2.265 -13.588
  774   1HG2  VAL  77           2HG      VAL  77   1.244  -2.150 -10.285
  775   2HG2  VAL  77           3HG      VAL  77   2.299  -3.523 -10.599
  776   3HG2  VAL  77           1HG      VAL  77   2.535  -2.018 -11.474
  777    QG1  VAL  77           QG1      VAL  77   0.026  -1.653 -12.952
  778    QG2  VAL  77           QG2      VAL  77   2.026  -2.564 -10.786
  779    QQG  VAL  77           QQG      VAL  77   1.026  -2.108 -11.870
  780    H    LEU  78           HN       LEU  78  -2.252  -5.500 -11.178
  781    HA   LEU  78           HA       LEU  78  -2.802  -7.269 -13.040
  782   1HB   LEU  78           2HB      LEU  78  -4.687  -4.999 -12.343
  783   2HB   LEU  78           3HB      LEU  78  -5.199  -6.400 -13.271
  784    HG   LEU  78           HG       LEU  78  -3.853  -6.679 -10.576
  785   1HD1  LEU  78           3HD      LEU  78  -6.823  -6.482 -11.236
  786   2HD1  LEU  78           1HD      LEU  78  -6.181  -6.937  -9.665
  787   3HD1  LEU  78           2HD      LEU  78  -5.903  -5.317 -10.289
  788   1HD2  LEU  78           2HD      LEU  78  -5.670  -8.480 -12.235
  789   2HD2  LEU  78           3HD      LEU  78  -3.937  -8.694 -12.027
  790   3HD2  LEU  78           1HD      LEU  78  -5.018  -8.890 -10.656
  791    QB   LEU  78           QB       LEU  78  -4.942  -5.699 -12.807
  792    QD1  LEU  78           QD1      LEU  78  -6.303  -6.245 -10.397
  793    QD2  LEU  78           QD2      LEU  78  -4.875  -8.688 -11.640
  794    QQD  LEU  78           QQD      LEU  78  -5.588  -7.466 -11.018
  795    H    ILE  79           HN       ILE  79  -3.563  -3.922 -13.925
  796    HA   ILE  79           HA       ILE  79  -2.955  -4.447 -16.734
  797    HB   ILE  79           HB       ILE  79  -5.342  -2.859 -15.666
  798   1HG1  ILE  79           2HG      ILE  79  -5.663  -5.300 -15.270
  799   2HG1  ILE  79           3HG      ILE  79  -6.814  -4.645 -16.418
  800   1HG2  ILE  79           3HG      ILE  79  -4.542  -3.650 -18.489
  801   2HG2  ILE  79           1HG      ILE  79  -6.104  -2.960 -18.062
  802   3HG2  ILE  79           2HG      ILE  79  -4.645  -2.020 -17.829
  803   1HD1  ILE  79           1HD      ILE  79  -4.281  -6.165 -17.156
  804   2HD1  ILE  79           2HD      ILE  79  -5.915  -6.816 -17.197
  805   3HD1  ILE  79           3HD      ILE  79  -5.459  -5.525 -18.297
  806    QG1  ILE  79           QG1      ILE  79  -6.239  -4.972 -15.844
  807    QG2  ILE  79           QG2      ILE  79  -5.097  -2.877 -18.126
  808    QD1  ILE  79           QD1      ILE  79  -5.219  -6.168 -17.551
  809    H    ASN  80           HN       ASN  80  -2.947  -2.066 -17.592
  810    HA   ASN  80           HA       ASN  80  -1.112  -0.547 -15.822
  811   1HB   ASN  80           2HB      ASN  80  -0.980  -1.244 -18.552
  812   2HB   ASN  80           3HB      ASN  80  -1.306   0.483 -18.554
  813   1HD2  ASN  80           2HD      ASN  80   2.107   1.077 -17.975
  814   2HD2  ASN  80           1HD      ASN  80   0.665   1.549 -18.754
  815    QB   ASN  80           QB       ASN  80  -1.143  -0.381 -18.553
  816    QD2  ASN  80           QD2      ASN  80   1.386   1.313 -18.364
  817    H    ASN  81           HN       ASN  81  -3.580  -0.240 -14.979
  818    HA   ASN  81           HA       ASN  81  -4.447   2.457 -15.950
  819   1HB   ASN  81           2HB      ASN  81  -6.144   0.626 -16.377
  820   2HB   ASN  81           3HB      ASN  81  -6.196   0.336 -14.644
  821   1HD2  ASN  81                 ASN  81  -7.388   4.120 -14.882
  822   2HD2  ASN  81           1HD      ASN  81  -5.764   3.625 -14.801
  823    QB   ASN  81           QB       ASN  81  -6.170   0.481 -15.510
  824    QD2  ASN  81           QD2      ASN  81  -6.576   3.873 -14.841
   
  Start of MODEL           6
 Raw file had 824 H/Q atoms
  Start of MODEL    6
    1   1H    HIS   1           HN3      HIS   1   8.747   4.227 -25.173
    2   2H    HIS   1           HN1      HIS   1   8.531   4.937 -26.654
    3   3H    HIS   1           HN2      HIS   1   7.259   4.817 -25.600
    4    HA   HIS   1           HA       HIS   1   6.681   2.866 -26.391
    5   1HB   HIS   1           2HB      HIS   1   7.659   3.882 -28.489
    6   2HB   HIS   1           3HB      HIS   1   9.160   3.073 -28.126
    7    HD1  HIS   1           HD1      HIS   1   8.802   0.379 -27.852
    8    HD2  HIS   1           HD2      HIS   1   6.013   2.342 -30.164
    9    HE1  HIS   1           HE1      HIS   1   7.713  -1.369 -29.313
   10    QB   HIS   1           QB       HIS   1   8.409   3.478 -28.307
   11    H    HIS   2           HN       HIS   2   7.735   2.539 -24.039
   12    HA   HIS   2           HA       HIS   2   9.418   0.087 -24.282
   13   1HB   HIS   2           2HB      HIS   2  10.823   2.079 -23.651
   14   2HB   HIS   2           3HB      HIS   2   9.844   2.271 -22.223
   15    HD1  HIS   2           HD1      HIS   2   9.866   0.074 -20.618
   16    HD2  HIS   2           HD2      HIS   2  13.006   0.347 -23.284
   17    HE1  HIS   2           HE1      HIS   2  11.654  -1.484 -19.795
   18    QB   HIS   2           QB       HIS   2  10.333   2.175 -22.937
   19    H    SER   3           HN       SER   3   7.638   2.134 -22.020
   20    HA   SER   3           HA       SER   3   6.079  -0.208 -21.157
   21   1HB   SER   3           2HB      SER   3   7.664   1.486 -19.174
   22   2HB   SER   3           3HB      SER   3   6.621   0.107 -18.781
   23    HG   SER   3           HG       SER   3   8.024  -0.964 -20.545
   24    QB   SER   3           QB       SER   3   7.142   0.796 -18.978
   25    H    GLY   4           HN       GLY   4   6.683   3.257 -20.406
   26   1HA   GLY   4           1HA      GLY   4   3.757   3.691 -20.731
   27   2HA   GLY   4           2HA      GLY   4   4.430   4.076 -19.160
   28    QA   GLY   4           QA       GLY   4   4.093   3.884 -19.946
   29    H    GLU   5           HN       GLU   5   5.146   4.803 -22.616
   30    HA   GLU   5           HA       GLU   5   5.958   7.543 -21.734
   31   1HB   GLU   5           2HB      GLU   5   6.100   6.365 -24.537
   32   2HB   GLU   5           3HB      GLU   5   6.900   7.817 -23.959
   33   1HG   GLU   5           2HG      GLU   5   8.584   6.093 -23.964
   34   2HG   GLU   5           3HG      GLU   5   8.143   6.350 -22.285
   35    QB   GLU   5           QB       GLU   5   6.501   7.092 -24.248
   36    QG   GLU   5           QG       GLU   5   8.364   6.222 -23.124
   37    H    HIS   6           HN       HIS   6   3.475   7.265 -21.242
   38    HA   HIS   6           HA       HIS   6   2.019   8.711 -23.405
   39   1HB   HIS   6           2HB      HIS   6   0.590   6.622 -21.795
   40   2HB   HIS   6           3HB      HIS   6   0.194   7.253 -23.374
   41    HD1  HIS   6           HD1      HIS   6   2.707   6.764 -24.865
   42    HD2  HIS   6           HD2      HIS   6   1.230   3.918 -22.276
   43    HE1  HIS   6           HE1      HIS   6   3.641   4.553 -25.619
   44    QB   HIS   6           QB       HIS   6   0.392   6.937 -22.584
   45    H    PHE   7           HN       PHE   7  -0.375   9.151 -22.224
   46    HA   PHE   7           HA       PHE   7   0.272  10.225 -19.510
   47   1HB   PHE   7           2HB      PHE   7   0.353  11.947 -21.442
   48   2HB   PHE   7           3HB      PHE   7  -1.396  11.773 -21.507
   49    HD1  PHE   7          1HD       PHE   7  -2.668  12.053 -19.203
   50    HD2  PHE   7          2HD       PHE   7   1.286  13.487 -19.921
   51    HE1  PHE   7          1HE       PHE   7  -2.846  13.528 -17.258
   52    HE2  PHE   7          2HE       PHE   7   1.086  14.977 -17.984
   53    HZ   PHE   7           HZ       PHE   7  -0.974  14.997 -16.648
   54    QB   PHE   7           QB       PHE   7  -0.522  11.860 -21.475
   55    QR   PHE   7           QR       PHE   7  -0.785  13.511 -18.592
   56    H    GLU   8           HN       GLU   8  -0.930   8.491 -18.593
   57    HA   GLU   8           HA       GLU   8  -3.799   8.273 -19.210
   58   1HB   GLU   8           2HB      GLU   8  -3.760   6.630 -17.248
   59   2HB   GLU   8           3HB      GLU   8  -2.756   6.184 -18.615
   60   1HG   GLU   8           2HG      GLU   8  -0.745   6.908 -17.484
   61   2HG   GLU   8           3HG      GLU   8  -1.669   7.679 -16.204
   62    QB   GLU   8           QB       GLU   8  -3.257   6.407 -17.931
   63    QG   GLU   8           QG       GLU   8  -1.207   7.293 -16.845
   64    H    GLY   9           HN       GLY   9  -1.680   9.665 -16.867
   65   1HA   GLY   9           1HA      GLY   9  -2.178  11.642 -15.606
   66   2HA   GLY   9           2HA      GLY   9  -3.875  11.307 -15.783
   67    QA   GLY   9           QA       GLY   9  -3.027  11.474 -15.694
   68    H    GLU  10           HN       GLU  10  -4.510   9.103 -14.751
   69    HA   GLU  10           HA       GLU  10  -3.036   8.649 -12.204
   70   1HB   GLU  10           2HB      GLU  10  -6.040   9.130 -12.276
   71   2HB   GLU  10           3HB      GLU  10  -5.058   8.818 -10.852
   72   1HG   GLU  10           2HG      GLU  10  -3.717  10.957 -11.722
   73   2HG   GLU  10           3HG      GLU  10  -5.227  11.306 -12.538
   74    QB   GLU  10           QB       GLU  10  -5.549   8.974 -11.563
   75    QG   GLU  10           QG       GLU  10  -4.473  11.132 -12.131
   76    H    LYS  11           HN       LYS  11  -3.533   6.573 -11.262
   77    HA   LYS  11           HA       LYS  11  -5.121   4.700 -12.955
   78   1HB   LYS  11           2HB      LYS  11  -2.527   4.830 -13.513
   79   2HB   LYS  11           3HB      LYS  11  -2.358   3.869 -12.061
   80   1HG   LYS  11           2HG      LYS  11  -4.346   2.492 -13.377
   81   2HG   LYS  11           3HG      LYS  11  -3.417   3.119 -14.720
   82   1HD   LYS  11           2HD      LYS  11  -2.279   1.524 -12.384
   83   2HD   LYS  11           3HD      LYS  11  -2.558   0.896 -14.000
   84   1HE   LYS  11           2HE      LYS  11  -0.630   3.126 -13.260
   85   2HE   LYS  11           3HE      LYS  11  -0.200   1.495 -13.750
   86   1HZ   LYS  11           3HZ      LYS  11  -1.862   2.543 -15.734
   87   2HZ   LYS  11           1HZ      LYS  11  -0.715   3.737 -15.365
   88   3HZ   LYS  11           2HZ      LYS  11  -0.227   2.156 -15.841
   89    QB   LYS  11           QB       LYS  11  -2.443   4.350 -12.787
   90    QG   LYS  11           QG       LYS  11  -3.882   2.805 -14.048
   91    QD   LYS  11           QD       LYS  11  -2.418   1.210 -13.192
   92    QE   LYS  11           QE       LYS  11  -0.415   2.310 -13.505
   93    QZ   LYS  11           QZ       LYS  11  -0.934   2.812 -15.647
   94    H    VAL  12           HN       VAL  12  -4.829   2.386 -11.773
   95    HA   VAL  12           HA       VAL  12  -5.188   2.832  -8.835
   96    HB   VAL  12           HB       VAL  12  -6.608   0.840 -10.663
   97   1HG1  VAL  12           3HG      VAL  12  -6.856   1.329  -7.669
   98   2HG1  VAL  12           1HG      VAL  12  -7.888   0.250  -8.603
   99   3HG1  VAL  12           2HG      VAL  12  -6.175  -0.108  -8.428
  100   1HG2  VAL  12           2HG      VAL  12  -7.652   3.258  -9.136
  101   2HG2  VAL  12           3HG      VAL  12  -7.469   3.149 -10.884
  102   3HG2  VAL  12           1HG      VAL  12  -8.644   2.133 -10.060
  103    QG1  VAL  12           QG1      VAL  12  -6.973   0.491  -8.233
  104    QG2  VAL  12           QG2      VAL  12  -7.921   2.846 -10.027
  105    QQG  VAL  12           QQG      VAL  12  -7.447   1.669  -9.130
  106    H    PHE  13           HN       PHE  13  -4.202   1.238  -7.517
  107    HA   PHE  13           HA       PHE  13  -2.555  -0.826  -8.929
  108   1HB   PHE  13           2HB      PHE  13  -1.581   1.529  -7.611
  109   2HB   PHE  13           3HB      PHE  13  -1.177   0.164  -6.589
  110    HD1  PHE  13          2HD       PHE  13   0.135  -1.778  -7.599
  111    HD2  PHE  13          1HD       PHE  13  -0.427   1.891  -9.695
  112    HE1  PHE  13          2HE       PHE  13   2.185  -2.187  -8.876
  113    HE2  PHE  13          1HE       PHE  13   1.644   1.485 -10.950
  114    HZ   PHE  13           HZ       PHE  13   3.006  -0.509 -10.474
  115    QB   PHE  13           QB       PHE  13  -1.379   0.846  -7.100
  116    QR   PHE  13           QR       PHE  13   0.884  -0.148  -9.280
  117    NH1  ARG  14           NH2      ARG  14  -4.724  -7.590  -6.356
  118    NH2  ARG  14           NH1      ARG  14  -5.531  -8.281  -8.366
  119    H    ARG  14           HN       ARG  14  -2.118  -2.708  -7.547
  120    HA   ARG  14           HA       ARG  14  -3.817  -2.736  -5.088
  121   1HB   ARG  14           2HB      ARG  14  -3.642  -4.742  -7.317
  122   2HB   ARG  14           3HB      ARG  14  -3.905  -5.310  -5.679
  123   1HG   ARG  14           2HG      ARG  14  -5.774  -3.472  -5.591
  124   2HG   ARG  14           3HG      ARG  14  -5.670  -3.506  -7.344
  125   1HD   ARG  14           2HD      ARG  14  -6.292  -5.874  -5.522
  126   2HD   ARG  14           3HD      ARG  14  -7.422  -5.037  -6.579
  127    HE   ARG  14           HE       ARG  14  -6.110  -5.872  -8.527
  128   1HH1  ARG  14           2HH      ARG  14  -4.660  -6.890  -5.654
  129   2HH1  ARG  14           1HH      ARG  14  -4.212  -8.452  -6.246
  130   1HH2  ARG  14           2HH      ARG  14  -6.120  -8.122  -9.152
  131   2HH2  ARG  14           1HH      ARG  14  -4.978  -9.126  -8.320
  132    QB   ARG  14           QB       ARG  14  -3.773  -5.026  -6.498
  133    QG   ARG  14           QG       ARG  14  -5.721  -3.489  -6.467
  134    QD   ARG  14           QD       ARG  14  -6.857  -5.456  -6.050
  135    QH1  ARG  14           QH2      ARG  14  -4.435  -7.672  -5.950
  136    QH2  ARG  14           QH1      ARG  14  -5.549  -8.625  -8.736
  137    H    VAL  15           HN       VAL  15  -3.053  -3.691  -3.336
  138    HA   VAL  15           HA       VAL  15  -0.318  -4.895  -3.429
  139    HB   VAL  15           HB       VAL  15  -1.308  -3.218  -1.112
  140   1HG1  VAL  15           3HG      VAL  15   0.677  -4.639  -0.754
  141   2HG1  VAL  15           1HG      VAL  15   1.471  -3.879  -2.128
  142   3HG1  VAL  15           2HG      VAL  15   1.103  -2.933  -0.689
  143   1HG2  VAL  15           3HG      VAL  15   0.174  -2.196  -3.555
  144   2HG2  VAL  15           1HG      VAL  15  -1.458  -1.744  -3.076
  145   3HG2  VAL  15           2HG      VAL  15  -0.090  -1.274  -2.077
  146    QG1  VAL  15           QG1      VAL  15   1.083  -3.817  -1.190
  147    QG2  VAL  15           QG2      VAL  15  -0.458  -1.738  -2.903
  148    QQG  VAL  15           QQG      VAL  15   0.312  -2.778  -2.047
  149    H    ASN  16           HN       ASN  16   0.018  -6.379  -1.549
  150    HA   ASN  16           HA       ASN  16  -2.595  -7.562  -0.652
  151   1HB   ASN  16           2HB      ASN  16  -0.874  -8.837  -2.263
  152   2HB   ASN  16           3HB      ASN  16  -0.056  -9.175  -0.740
  153   1HD2  ASN  16           2HD      ASN  16  -3.028 -11.560  -1.661
  154   2HD2  ASN  16           1HD      ASN  16  -2.105 -10.673  -2.786
  155    QB   ASN  16           QB       ASN  16  -0.465  -9.006  -1.501
  156    QD2  ASN  16           QD2      ASN  16  -2.567 -11.117  -2.223
  157    H    VAL  17           HN       VAL  17  -2.424  -8.683   1.449
  158    HA   VAL  17           HA       VAL  17  -0.381  -7.493   3.299
  159    HB   VAL  17           HB       VAL  17  -3.396  -7.651   3.763
  160   1HG1  VAL  17           2HG      VAL  17  -2.082  -8.085   5.830
  161   2HG1  VAL  17           3HG      VAL  17  -1.212  -6.573   5.583
  162   3HG1  VAL  17           1HG      VAL  17  -2.942  -6.556   5.915
  163   1HG2  VAL  17           1HG      VAL  17  -1.552  -5.264   3.486
  164   2HG2  VAL  17           2HG      VAL  17  -2.738  -5.794   2.300
  165   3HG2  VAL  17           3HG      VAL  17  -3.272  -5.190   3.867
  166    QG1  VAL  17           QG1      VAL  17  -2.078  -7.072   5.776
  167    QG2  VAL  17           QG2      VAL  17  -2.521  -5.416   3.217
  168    QQG  VAL  17           QQG      VAL  17  -2.300  -6.243   4.497
  169    H    GLU  18           HN       GLU  18   0.647  -9.324   4.178
  170    HA   GLU  18           HA       GLU  18  -1.052 -11.753   4.361
  171   1HB   GLU  18           2HB      GLU  18   1.485 -11.570   3.523
  172   2HB   GLU  18           3HB      GLU  18   1.813 -11.812   5.234
  173   1HG   GLU  18           2HG      GLU  18   0.728 -13.919   5.278
  174   2HG   GLU  18           3HG      GLU  18  -0.191 -13.589   3.819
  175    QB   GLU  18           QB       GLU  18   1.649 -11.691   4.379
  176    QG   GLU  18           QG       GLU  18   0.268 -13.755   4.548
  177    H    ASP  19           HN       ASP  19   0.758  -9.524   6.470
  178    HA   ASP  19           HA       ASP  19  -1.070 -10.065   8.674
  179   1HB   ASP  19           2HB      ASP  19   1.018 -11.894   8.602
  180   2HB   ASP  19           3HB      ASP  19   1.614 -10.728   9.712
  181    QB   ASP  19           QB       ASP  19   1.316 -11.311   9.156
  182    H    GLU  20           HN       GLU  20   0.736  -9.583  10.704
  183    HA   GLU  20           HA       GLU  20   0.649  -6.814  11.059
  184   1HB   GLU  20           2HB      GLU  20   1.310  -8.395  12.850
  185   2HB   GLU  20           3HB      GLU  20   2.832  -8.707  12.030
  186   1HG   GLU  20           2HG      GLU  20   2.448  -5.836  12.412
  187   2HG   GLU  20           3HG      GLU  20   2.330  -6.696  13.941
  188    QB   GLU  20           QB       GLU  20   2.071  -8.551  12.439
  189    QG   GLU  20           QG       GLU  20   2.388  -6.267  13.177
  190    H    ASN  21           HN       ASN  21   3.468  -8.605   9.875
  191    HA   ASN  21           HA       ASN  21   5.278  -6.602   9.401
  192   1HB   ASN  21           2HB      ASN  21   5.664  -8.977   8.877
  193   2HB   ASN  21           3HB      ASN  21   4.549  -8.883   7.523
  194   1HD2  ASN  21           2HD      ASN  21   7.391  -6.371   6.395
  195   2HD2  ASN  21           1HD      ASN  21   6.184  -5.944   7.505
  196    QB   ASN  21           QB       ASN  21   5.106  -8.930   8.200
  197    QD2  ASN  21           QD2      ASN  21   6.787  -6.158   6.950
  198    H    ASP  22           HN       ASP  22   3.015  -7.613   6.884
  199    HA   ASP  22           HA       ASP  22   3.395  -5.480   5.106
  200   1HB   ASP  22           2HB      ASP  22   0.798  -6.940   5.760
  201   2HB   ASP  22           3HB      ASP  22   1.110  -6.070   4.275
  202    QB   ASP  22           QB       ASP  22   0.955  -6.505   5.017
  203    H    ILE  23           HN       ILE  23   1.081  -5.770   7.782
  204    HA   ILE  23           HA       ILE  23  -0.191  -3.255   7.372
  205    HB   ILE  23           HB       ILE  23   0.286  -4.779   9.964
  206   1HG1  ILE  23           2HG      ILE  23  -2.081  -4.696   8.040
  207   2HG1  ILE  23           3HG      ILE  23  -0.928  -6.010   8.146
  208   1HG2  ILE  23           2HG      ILE  23  -0.297  -2.366  10.307
  209   2HG2  ILE  23           3HG      ILE  23  -1.723  -2.594   9.299
  210   3HG2  ILE  23           1HG      ILE  23  -1.590  -3.433  10.838
  211   1HD1  ILE  23           3HD      ILE  23  -2.737  -5.087  10.397
  212   2HD1  ILE  23           1HD      ILE  23  -2.967  -6.527   9.414
  213   3HD1  ILE  23           2HD      ILE  23  -1.579  -6.413  10.491
  214    QG1  ILE  23           QG1      ILE  23  -1.504  -5.353   8.093
  215    QG2  ILE  23           QG2      ILE  23  -1.204  -2.798  10.148
  216    QD1  ILE  23           QD1      ILE  23  -2.427  -6.009  10.101
  217    H    SER  24           HN       SER  24   2.383  -4.036   9.729
  218    HA   SER  24           HA       SER  24   3.049  -1.576  10.726
  219   1HB   SER  24           2HB      SER  24   5.064  -3.639   9.697
  220   2HB   SER  24           3HB      SER  24   5.348  -2.448  10.979
  221    HG   SER  24           HG       SER  24   4.350  -4.842  11.350
  222    QB   SER  24           QB       SER  24   5.206  -3.043  10.338
  223    H    GLU  25           HN       GLU  25   4.229  -2.953   7.729
  224    HA   GLU  25           HA       GLU  25   5.679  -0.687   6.763
  225   1HB   GLU  25           2HB      GLU  25   4.439  -3.106   5.433
  226   2HB   GLU  25           3HB      GLU  25   5.480  -1.997   4.575
  227   1HG   GLU  25           2HG      GLU  25   7.189  -2.420   6.482
  228   2HG   GLU  25           3HG      GLU  25   6.170  -3.793   6.911
  229    QB   GLU  25           QB       GLU  25   4.959  -2.552   5.004
  230    QG   GLU  25           QG       GLU  25   6.679  -3.106   6.696
  231    H    LEU  26           HN       LEU  26   2.681  -1.989   5.285
  232    HA   LEU  26           HA       LEU  26   1.933   0.048   3.719
  233   1HB   LEU  26           2HB      LEU  26   0.897  -2.310   4.598
  234   2HB   LEU  26           3HB      LEU  26  -0.167  -1.203   5.450
  235    HG   LEU  26           HG       LEU  26  -0.574  -0.075   3.323
  236   1HD1  LEU  26           3HD      LEU  26   1.046  -2.349   2.186
  237   2HD1  LEU  26           1HD      LEU  26  -0.007  -1.349   1.204
  238   3HD1  LEU  26           2HD      LEU  26   1.368  -0.624   2.017
  239   1HD2  LEU  26           3HD      LEU  26  -2.136  -1.829   4.157
  240   2HD2  LEU  26           1HD      LEU  26  -2.087  -1.840   2.397
  241   3HD2  LEU  26           2HD      LEU  26  -1.192  -3.052   3.312
  242    QB   LEU  26           QB       LEU  26   0.365  -1.756   5.025
  243    QD1  LEU  26           QD1      LEU  26   0.802  -1.440   1.803
  244    QD2  LEU  26           QD2      LEU  26  -1.804  -2.241   3.289
  245    QQD  LEU  26           QQD      LEU  26  -0.502  -1.840   2.545
  246    H    HIS  27           HN       HIS  27   1.665  -0.106   7.180
  247    HA   HIS  27           HA       HIS  27   0.086   2.288   7.588
  248   1HB   HIS  27           2HB      HIS  27   1.441   0.316   9.215
  249   2HB   HIS  27           3HB      HIS  27   1.895   1.894   9.766
  250    HD1  HIS  27           HD1      HIS  27   0.189   3.201  10.980
  251    HD2  HIS  27           HD2      HIS  27  -1.410  -0.303   9.558
  252    HE1  HIS  27           HE1      HIS  27  -2.045   2.945  12.090
  253    QB   HIS  27           QB       HIS  27   1.668   1.105   9.490
  254    H    GLU  28           HN       GLU  28   3.483   1.597   8.164
  255    HA   GLU  28           HA       GLU  28   4.781   3.881   8.668
  256   1HB   GLU  28           2HB      GLU  28   5.602   1.528   7.686
  257   2HB   GLU  28           3HB      GLU  28   5.719   2.430   6.187
  258   1HG   GLU  28           2HG      GLU  28   7.864   2.719   7.047
  259   2HG   GLU  28           3HG      GLU  28   7.066   4.157   7.673
  260    QB   GLU  28           QB       GLU  28   5.660   1.978   6.937
  261    QG   GLU  28           QG       GLU  28   7.465   3.438   7.360
  262    H    LEU  29           HN       LEU  29   3.942   3.005   5.399
  263    HA   LEU  29           HA       LEU  29   4.617   5.207   3.903
  264   1HB   LEU  29           2HB      LEU  29   3.760   3.266   2.857
  265   2HB   LEU  29           3HB      LEU  29   2.272   3.318   3.774
  266    HG   LEU  29           HG       LEU  29   1.465   5.223   2.523
  267   1HD1  LEU  29           1HD      LEU  29   4.152   5.179   1.087
  268   2HD1  LEU  29           2HD      LEU  29   2.790   6.214   0.677
  269   3HD1  LEU  29           3HD      LEU  29   3.626   6.431   2.207
  270   1HD2  LEU  29           3HD      LEU  29   2.741   3.117   0.741
  271   2HD2  LEU  29           1HD      LEU  29   1.166   2.998   1.524
  272   3HD2  LEU  29           2HD      LEU  29   1.434   4.189   0.259
  273    QB   LEU  29           QB       LEU  29   3.017   3.291   3.315
  274    QD1  LEU  29           QD1      LEU  29   3.523   5.942   1.323
  275    QD2  LEU  29           QD2      LEU  29   1.780   3.434   0.841
  276    QQD  LEU  29           QQD      LEU  29   2.652   4.687   1.083
  277    H    ALA  30           HN       ALA  30   1.363   4.830   5.310
  278    HA   ALA  30           HA       ALA  30   0.034   7.062   4.515
  279   1HB   ALA  30           3HB      ALA  30   0.233   6.100   7.396
  280   2HB   ALA  30           1HB      ALA  30  -1.035   7.158   6.784
  281   3HB   ALA  30           2HB      ALA  30  -0.890   5.510   6.180
  282    QB   ALA  30           QB       ALA  30  -0.565   6.256   6.786
  283    H    SER  31           HN       SER  31   2.464   7.103   7.087
  284    HA   SER  31           HA       SER  31   2.477   9.704   7.974
  285   1HB   SER  31           2HB      SER  31   5.007   8.241   7.116
  286   2HB   SER  31           3HB      SER  31   4.835   9.418   8.437
  287    HG   SER  31           HG       SER  31   4.200   6.759   8.378
  288    QB   SER  31           QB       SER  31   4.921   8.829   7.776
  289    H    THR  32           HN       THR  32   4.129   8.629   5.006
  290    HA   THR  32           HA       THR  32   4.417  11.502   4.203
  291    HB   THR  32           HB       THR  32   6.044  10.589   2.479
  292    HG1  THR  32          1HG       THR  32   4.778   8.334   3.296
  293   1HG2  THR  32           3HG      THR  32   6.910  11.150   4.807
  294   2HG2  THR  32           1HG      THR  32   6.584   9.484   5.278
  295   3HG2  THR  32           2HG      THR  32   7.789   9.830   4.042
  296    QG2  THR  32           QG2      THR  32   7.095  10.155   4.709
  297    NH1  ARG  33           NH2      ARG  33  -3.285  10.776  -0.403
  298    NH2  ARG  33           NH1      ARG  33  -5.447  10.728   0.235
  299    H    ARG  33           HN       ARG  33   2.051   9.667   4.038
  300    HA   ARG  33           HA       ARG  33   0.807   8.627   2.126
  301   1HB   ARG  33           2HB      ARG  33  -0.177  10.342   3.785
  302   2HB   ARG  33           3HB      ARG  33  -0.059  11.495   2.459
  303   1HG   ARG  33           2HG      ARG  33  -1.283   9.698   1.054
  304   2HG   ARG  33           3HG      ARG  33  -1.681   8.948   2.588
  305   1HD   ARG  33           2HD      ARG  33  -2.731  11.066   3.348
  306   2HD   ARG  33           3HD      ARG  33  -2.343  11.818   1.797
  307    HE   ARG  33           HE       ARG  33  -4.337   9.637   2.230
  308   1HH1  ARG  33           2HH      ARG  33  -2.322  10.597  -0.189
  309   2HH1  ARG  33           1HH      ARG  33  -3.540  11.039  -1.338
  310   1HH2  ARG  33           2HH      ARG  33  -6.122  10.597   0.953
  311   2HH2  ARG  33           1HH      ARG  33  -5.751  10.947  -0.701
  312    QB   ARG  33           QB       ARG  33  -0.118  10.919   3.122
  313    QG   ARG  33           QG       ARG  33  -1.482   9.323   1.821
  314    QD   ARG  33           QD       ARG  33  -2.537  11.441   2.573
  315    QH1  ARG  33           QH2      ARG  33  -2.931  10.818  -0.763
  316    QH2  ARG  33           QH1      ARG  33  -5.937  10.773   0.126
  317    H    GLN  34           HN       GLN  34   2.712   8.742   0.390
  318    HA   GLN  34           HA       GLN  34   2.466  10.957  -1.506
  319   1HB   GLN  34           2HB      GLN  34   3.748   8.225  -1.959
  320   2HB   GLN  34           3HB      GLN  34   3.944   9.635  -2.984
  321   1HG   GLN  34           2HG      GLN  34   4.929  10.835  -0.947
  322   2HG   GLN  34           3HG      GLN  34   4.971   9.266  -0.151
  323   1HE2  GLN  34           2HE      GLN  34   7.847   8.200  -1.949
  324   2HE2  GLN  34           1HE      GLN  34   6.743   7.881  -0.696
  325    QB   GLN  34           QB       GLN  34   3.845   8.930  -2.471
  326    QG   GLN  34           QG       GLN  34   4.950  10.050  -0.549
  327    QE2  GLN  34           QE2      GLN  34   7.295   8.041  -1.323
  328    H    ILE  35           HN       ILE  35   0.607   8.304  -0.844
  329    HA   ILE  35           HA       ILE  35  -0.644   8.281  -3.547
  330    HB   ILE  35           HB       ILE  35  -1.271   5.876  -2.984
  331   1HG1  ILE  35           2HG      ILE  35   0.408   4.828  -1.279
  332   2HG1  ILE  35           3HG      ILE  35   0.595   6.449  -0.645
  333   1HG2  ILE  35           2HG      ILE  35   0.555   6.423  -4.525
  334   2HG2  ILE  35           3HG      ILE  35   1.677   6.524  -3.169
  335   3HG2  ILE  35           1HG      ILE  35   0.929   4.983  -3.583
  336   1HD1  ILE  35           3HD      ILE  35  -2.060   4.991  -0.918
  337   2HD1  ILE  35           1HD      ILE  35  -1.129   5.130   0.568
  338   3HD1  ILE  35           2HD      ILE  35  -1.817   6.562  -0.164
  339    QG1  ILE  35           QG1      ILE  35   0.502   5.639  -0.962
  340    QG2  ILE  35           QG2      ILE  35   1.054   5.977  -3.759
  341    QD1  ILE  35           QD1      ILE  35  -1.668   5.561  -0.172
  342    H    ASP  36           HN       ASP  36  -2.818   7.045  -3.292
  343    HA   ASP  36           HA       ASP  36  -4.355   8.030  -0.922
  344   1HB   ASP  36           2HB      ASP  36  -5.141   8.104  -3.865
  345   2HB   ASP  36           3HB      ASP  36  -6.302   8.288  -2.566
  346    QB   ASP  36           QB       ASP  36  -5.722   8.196  -3.216
  347    H    PHE  37           HN       PHE  37  -6.328   6.627  -0.596
  348    HA   PHE  37           HA       PHE  37  -5.798   3.848  -1.582
  349   1HB   PHE  37           2HB      PHE  37  -7.257   4.713   0.952
  350   2HB   PHE  37           3HB      PHE  37  -6.957   3.055   0.459
  351    HD1  PHE  37          2HD       PHE  37  -4.271   2.724  -0.193
  352    HD2  PHE  37          1HD       PHE  37  -5.859   5.459   2.652
  353    HE1  PHE  37          2HE       PHE  37  -2.132   2.712   1.009
  354    HE2  PHE  37          1HE       PHE  37  -3.697   5.482   3.831
  355    HZ   PHE  37           HZ       PHE  37  -1.844   4.080   3.031
  356    QB   PHE  37           QB       PHE  37  -7.106   3.884   0.705
  357    QR   PHE  37           QR       PHE  37  -3.989   4.094   1.825
  358    CH2  TRP  38           CH2      TRP  38 -11.982   1.324  -8.605
  359    H    TRP  38           HN       TRP  38  -7.773   2.549  -1.863
  360    HA   TRP  38           HA       TRP  38 -10.170   4.195  -2.593
  361   1HB   TRP  38           2HB      TRP  38  -8.700   3.548  -4.560
  362   2HB   TRP  38           3HB      TRP  38  -9.084   1.891  -4.215
  363    HD1  TRP  38           HD1      TRP  38 -11.875   4.581  -4.130
  364    HE1  TRP  38           HE1      TRP  38 -13.425   4.244  -6.066
  365    HE3  TRP  38           HE3      TRP  38  -9.344   0.964  -6.490
  366    HZ2  TRP  38           HZ2      TRP  38 -13.608   2.687  -8.348
  367    HZ3  TRP  38           HZ3      TRP  38 -10.255   0.064  -8.617
  368    HH2  TRP  38           HH2      TRP  38 -12.362   0.926  -9.535
  369    QB   TRP  38           QB       TRP  38  -8.892   2.719  -4.387
  370    H    LYS  39           HN       LYS  39  -8.957   0.892  -2.102
  371    HA   LYS  39           HA       LYS  39 -11.350   0.294  -0.435
  372   1HB   LYS  39           2HB      LYS  39 -11.908  -0.598  -2.665
  373   2HB   LYS  39           3HB      LYS  39 -10.376  -1.456  -2.725
  374   1HG   LYS  39           2HG      LYS  39 -11.247  -2.503  -0.416
  375   2HG   LYS  39           3HG      LYS  39 -12.806  -1.992  -1.021
  376   1HD   LYS  39           2HD      LYS  39 -12.270  -4.362  -1.587
  377   2HD   LYS  39           3HD      LYS  39 -12.594  -3.367  -2.994
  378   1HE   LYS  39           2HE      LYS  39 -10.555  -5.000  -3.043
  379   2HE   LYS  39           3HE      LYS  39 -10.360  -3.384  -3.696
  380   1HZ   LYS  39           3HZ      LYS  39  -9.690  -3.214  -1.002
  381   2HZ   LYS  39           1HZ      LYS  39  -8.922  -4.619  -1.596
  382   3HZ   LYS  39           2HZ      LYS  39  -8.670  -3.115  -2.347
  383    QB   LYS  39           QB       LYS  39 -11.142  -1.027  -2.695
  384    QG   LYS  39           QG       LYS  39 -12.026  -2.247  -0.719
  385    QD   LYS  39           QD       LYS  39 -12.432  -3.864  -2.290
  386    QE   LYS  39           QE       LYS  39 -10.457  -4.192  -3.370
  387    QZ   LYS  39           QZ       LYS  39  -9.094  -3.649  -1.648
  388    HA   PRO  40           HA       PRO  40 -11.696  -0.276   1.509
  389   1HB   PRO  40           2HB      PRO  40 -10.016   0.063   3.947
  390   2HB   PRO  40           3HB      PRO  40 -11.567  -0.769   3.769
  391   1HG   PRO  40           2HG      PRO  40  -9.249  -2.147   4.110
  392   2HG   PRO  40           3HG      PRO  40 -10.542  -2.780   3.077
  393   1HD   PRO  40           2HD      PRO  40  -7.987  -1.380   2.271
  394   2HD   PRO  40           3HD      PRO  40  -8.791  -2.767   1.501
  395    QB   PRO  40           QB       PRO  40 -10.792  -0.353   3.859
  396    QG   PRO  40           QG       PRO  40  -9.895  -2.464   3.594
  397    QD   PRO  40           QD       PRO  40  -8.388  -2.073   1.886
  398    H    ASP  41           HN       ASP  41 -11.083   1.740   3.644
  399    HA   ASP  41           HA       ASP  41 -10.217   3.937   1.813
  400   1HB   ASP  41           2HB      ASP  41 -11.534   5.400   3.242
  401   2HB   ASP  41           3HB      ASP  41 -12.528   4.005   2.837
  402    QB   ASP  41           QB       ASP  41 -12.031   4.702   3.040
  403    H    SER  42           HN       SER  42  -9.924   2.885   5.194
  404    HA   SER  42           HA       SER  42  -7.603   4.707   5.509
  405   1HB   SER  42           2HB      SER  42  -9.387   3.214   7.459
  406   2HB   SER  42           3HB      SER  42  -7.925   4.079   7.979
  407    HG   SER  42           HG       SER  42 -10.195   5.108   6.564
  408    QB   SER  42           QB       SER  42  -8.656   3.647   7.719
  409    H    VAL  43           HN       VAL  43  -5.818   3.816   6.890
  410    HA   VAL  43           HA       VAL  43  -4.944   1.222   5.726
  411    HB   VAL  43           HB       VAL  43  -3.536   3.159   5.296
  412   1HG1  VAL  43           2HG      VAL  43  -3.413   3.459   8.322
  413   2HG1  VAL  43           3HG      VAL  43  -2.489   4.415   7.168
  414   3HG1  VAL  43           1HG      VAL  43  -4.238   4.551   7.213
  415   1HG2  VAL  43           2HG      VAL  43  -2.360   1.009   5.711
  416   2HG2  VAL  43           3HG      VAL  43  -1.390   2.395   6.189
  417   3HG2  VAL  43           1HG      VAL  43  -2.209   1.427   7.414
  418    QG1  VAL  43           QG1      VAL  43  -3.380   4.142   7.568
  419    QG2  VAL  43           QG2      VAL  43  -1.986   1.611   6.437
  420    QQG  VAL  43           QQG      VAL  43  -2.683   2.876   7.002
  421    H    THR  44           HN       THR  44  -5.949   2.622   8.648
  422    HA   THR  44           HA       THR  44  -4.712   0.640  10.433
  423    HB   THR  44           HB       THR  44  -6.538   1.965  11.984
  424    HG1  THR  44          1HG       THR  44  -7.422   3.454  10.766
  425   1HG2  THR  44           1HG      THR  44  -4.052   3.318  10.833
  426   2HG2  THR  44           2HG      THR  44  -4.862   3.762  12.332
  427   3HG2  THR  44           3HG      THR  44  -4.031   2.215  12.209
  428    QG2  THR  44           QG2      THR  44  -4.315   3.098  11.791
  429    H    GLN  45           HN       GLN  45  -7.520   0.990   8.551
  430    HA   GLN  45           HA       GLN  45  -8.989  -1.054  10.144
  431   1HB   GLN  45           2HB      GLN  45 -10.074   0.544   7.809
  432   2HB   GLN  45           3HB      GLN  45 -10.986  -0.276   9.069
  433   1HG   GLN  45           2HG      GLN  45  -9.235   2.198   9.403
  434   2HG   GLN  45           3HG      GLN  45 -10.980   2.125   9.563
  435   1HE2  GLN  45           2HE      GLN  45 -10.260  -0.071  12.633
  436   2HE2  GLN  45           1HE      GLN  45 -10.772  -0.516  11.078
  437    QB   GLN  45           QB       GLN  45 -10.530   0.134   8.438
  438    QG   GLN  45           QG       GLN  45 -10.108   2.161   9.483
  439    QE2  GLN  45           QE2      GLN  45 -10.516  -0.293  11.855
  440    H    ILE  46           HN       ILE  46  -6.949  -2.083   9.094
  441    HA   ILE  46           HA       ILE  46  -7.886  -3.683   6.752
  442    HB   ILE  46           HB       ILE  46  -5.321  -2.177   7.185
  443   1HG1  ILE  46           2HG      ILE  46  -6.838  -2.998   4.681
  444   2HG1  ILE  46           3HG      ILE  46  -7.036  -1.467   5.525
  445   1HG2  ILE  46           2HG      ILE  46  -4.528  -4.517   7.210
  446   2HG2  ILE  46           3HG      ILE  46  -5.382  -4.836   5.704
  447   3HG2  ILE  46           1HG      ILE  46  -4.032  -3.713   5.739
  448   1HD1  ILE  46           1HD      ILE  46  -4.632  -0.949   5.132
  449   2HD1  ILE  46           2HD      ILE  46  -4.453  -2.465   4.261
  450   3HD1  ILE  46           3HD      ILE  46  -5.492  -1.204   3.617
  451    QG1  ILE  46           QG1      ILE  46  -6.936  -2.232   5.103
  452    QG2  ILE  46           QG2      ILE  46  -4.647  -4.356   6.217
  453    QD1  ILE  46           QD1      ILE  46  -4.859  -1.539   4.337
  454    H    LYS  47           HN       LYS  47  -7.003  -5.868   6.801
  455    HA   LYS  47           HA       LYS  47  -5.867  -6.680   9.433
  456   1HB   LYS  47           2HB      LYS  47  -7.403  -8.658   9.455
  457   2HB   LYS  47           3HB      LYS  47  -8.287  -7.143   9.542
  458   1HG   LYS  47           2HG      LYS  47  -9.013  -7.289   7.312
  459   2HG   LYS  47           3HG      LYS  47  -7.743  -8.409   6.875
  460   1HD   LYS  47           2HD      LYS  47  -8.915 -10.027   8.594
  461   2HD   LYS  47           3HD      LYS  47 -10.294  -8.952   8.378
  462   1HE   LYS  47           2HE      LYS  47 -10.357 -10.852   6.768
  463   2HE   LYS  47           3HE      LYS  47 -10.218  -9.302   5.939
  464   1HZ   LYS  47           2HZ      LYS  47  -7.637 -10.296   6.571
  465   2HZ   LYS  47           3HZ      LYS  47  -8.486 -11.473   5.710
  466   3HZ   LYS  47           1HZ      LYS  47  -8.287  -9.916   5.062
  467    QB   LYS  47           QB       LYS  47  -7.845  -7.901   9.498
  468    QG   LYS  47           QG       LYS  47  -8.378  -7.848   7.093
  469    QD   LYS  47           QD       LYS  47  -9.604  -9.489   8.487
  470    QE   LYS  47           QE       LYS  47 -10.288 -10.077   6.353
  471    QZ   LYS  47           QZ       LYS  47  -8.136 -10.562   5.781
  472    HA   PRO  48           HA       PRO  48  -3.023  -9.341   7.264
  473   1HB   PRO  48           2HB      PRO  48  -4.387 -11.612   8.694
  474   2HB   PRO  48           3HB      PRO  48  -2.660 -11.284   8.525
  475   1HG   PRO  48           2HG      PRO  48  -3.930 -10.691  10.822
  476   2HG   PRO  48           3HG      PRO  48  -2.692  -9.599  10.190
  477   1HD   PRO  48           2HD      PRO  48  -5.669  -9.278  10.179
  478   2HD   PRO  48           3HD      PRO  48  -4.409  -8.030  10.267
  479    QB   PRO  48           QB       PRO  48  -3.524 -11.449   8.610
  480    QG   PRO  48           QG       PRO  48  -3.311 -10.144  10.506
  481    QD   PRO  48           QD       PRO  48  -5.039  -8.654  10.223
  482    H    HIS  49           HN       HIS  49  -2.893 -11.069   5.744
  483    HA   HIS  49           HA       HIS  49  -3.547 -11.832   3.631
  484   1HB   HIS  49           2HB      HIS  49  -4.977 -13.762   3.813
  485   2HB   HIS  49           3HB      HIS  49  -3.861 -13.708   5.148
  486    HD1  HIS  49           HD1      HIS  49  -7.399 -13.022   4.373
  487    HD2  HIS  49           HD2      HIS  49  -5.110 -13.784   7.701
  488    HE1  HIS  49           HE1      HIS  49  -9.021 -13.446   6.284
  489    QB   HIS  49           QB       HIS  49  -4.418 -13.734   4.481
  490    H    SER  50           HN       SER  50  -4.335  -9.460   3.514
  491    HA   SER  50           HA       SER  50  -7.131  -9.559   2.439
  492   1HB   SER  50           2HB      SER  50  -5.906  -7.240   3.992
  493   2HB   SER  50           3HB      SER  50  -7.531  -7.262   3.275
  494    HG   SER  50           HG       SER  50  -6.468  -8.667   5.435
  495    QB   SER  50           QB       SER  50  -6.719  -7.251   3.634
  496    H    THR  51           HN       THR  51  -7.554  -7.858   0.859
  497    HA   THR  51           HA       THR  51  -5.099  -7.141  -0.686
  498    HB   THR  51           HB       THR  51  -7.156  -6.943  -2.518
  499    HG1  THR  51          1HG       THR  51  -8.792  -8.042  -1.773
  500   1HG2  THR  51           3HG      THR  51  -5.861  -9.576  -1.672
  501   2HG2  THR  51           1HG      THR  51  -6.572  -9.243  -3.247
  502   3HG2  THR  51           2HG      THR  51  -5.097  -8.414  -2.749
  503    QG2  THR  51           QG2      THR  51  -5.843  -9.077  -2.556
  504    H    VAL  52           HN       VAL  52  -4.693  -5.053  -0.949
  505    HA   VAL  52           HA       VAL  52  -6.846  -3.088  -0.260
  506    HB   VAL  52           HB       VAL  52  -5.096  -1.631   0.573
  507   1HG1  VAL  52           3HG      VAL  52  -4.579  -4.497   1.470
  508   2HG1  VAL  52           1HG      VAL  52  -4.140  -3.053   2.367
  509   3HG1  VAL  52           2HG      VAL  52  -5.833  -3.439   2.104
  510   1HG2  VAL  52           1HG      VAL  52  -3.153  -3.745  -0.423
  511   2HG2  VAL  52           2HG      VAL  52  -3.382  -2.159  -1.154
  512   3HG2  VAL  52           3HG      VAL  52  -2.704  -2.294   0.460
  513    QG1  VAL  52           QG1      VAL  52  -4.851  -3.663   1.980
  514    QG2  VAL  52           QG2      VAL  52  -3.079  -2.732  -0.372
  515    QQG  VAL  52           QQG      VAL  52  -3.966  -3.198   0.804
  516    H    ASP  53           HN       ASP  53  -7.057  -1.291  -1.615
  517    HA   ASP  53           HA       ASP  53  -5.620  -1.532  -4.233
  518   1HB   ASP  53           2HB      ASP  53  -8.510  -0.836  -3.655
  519   2HB   ASP  53           3HB      ASP  53  -7.750  -0.526  -5.206
  520    QB   ASP  53           QB       ASP  53  -8.130  -0.681  -4.431
  521    H    PHE  54           HN       PHE  54  -4.452   0.172  -4.689
  522    HA   PHE  54           HA       PHE  54  -4.981   2.725  -3.240
  523   1HB   PHE  54           2HB      PHE  54  -2.449   1.720  -4.605
  524   2HB   PHE  54           3HB      PHE  54  -2.609   3.273  -3.809
  525    HD1  PHE  54          2HD       PHE  54  -4.457   0.993  -1.826
  526    HD2  PHE  54          1HD       PHE  54  -0.456   2.109  -2.771
  527    HE1  PHE  54          2HE       PHE  54  -3.684  -0.002   0.263
  528    HE2  PHE  54          1HE       PHE  54   0.314   1.082  -0.680
  529    HZ   PHE  54           HZ       PHE  54  -1.302   0.046   0.836
  530    QB   PHE  54           QB       PHE  54  -2.529   2.496  -4.207
  531    QR   PHE  54           QR       PHE  54  -2.071   1.046  -1.254
  532    NH1  ARG  55           NH2      ARG  55  -4.129   9.424  -5.586
  533    NH2  ARG  55           NH1      ARG  55  -5.636  11.125  -5.718
  534    H    ARG  55           HN       ARG  55  -4.409   4.659  -4.407
  535    HA   ARG  55           HA       ARG  55  -5.046   4.537  -7.341
  536   1HB   ARG  55           2HB      ARG  55  -6.852   5.628  -5.991
  537   2HB   ARG  55           3HB      ARG  55  -5.667   6.758  -5.349
  538   1HG   ARG  55           2HG      ARG  55  -5.177   7.202  -7.941
  539   2HG   ARG  55           3HG      ARG  55  -6.802   6.566  -8.128
  540   1HD   ARG  55           2HD      ARG  55  -7.559   8.645  -7.650
  541   2HD   ARG  55           3HD      ARG  55  -7.026   8.387  -5.988
  542    HE   ARG  55           HE       ARG  55  -5.412   9.782  -8.122
  543   1HH1  ARG  55           2HH      ARG  55  -3.778   8.556  -5.955
  544   2HH1  ARG  55           1HH      ARG  55  -3.706   9.821  -4.768
  545   1HH2  ARG  55           2HH      ARG  55  -6.382  11.572  -6.225
  546   2HH2  ARG  55           1HH      ARG  55  -5.293  11.526  -4.865
  547    QB   ARG  55           QB       ARG  55  -6.260   6.194  -5.670
  548    QG   ARG  55           QG       ARG  55  -5.989   6.885  -8.035
  549    QD   ARG  55           QD       ARG  55  -7.292   8.516  -6.819
  550    QH1  ARG  55           QH2      ARG  55  -3.742   9.189  -5.361
  551    QH2  ARG  55           QH1      ARG  55  -5.838  11.549  -5.545
  552    H    VAL  56           HN       VAL  56  -3.337   5.227  -8.552
  553    HA   VAL  56           HA       VAL  56  -1.216   6.757  -7.171
  554    HB   VAL  56           HB       VAL  56   0.195   5.943  -8.977
  555   1HG1  VAL  56           3HG      VAL  56  -1.478   3.731  -7.763
  556   2HG1  VAL  56           1HG      VAL  56   0.127   3.516  -8.460
  557   3HG1  VAL  56           2HG      VAL  56  -0.080   4.494  -7.014
  558   1HG2  VAL  56           1HG      VAL  56  -1.445   5.907 -10.812
  559   2HG2  VAL  56           2HG      VAL  56  -0.630   4.355 -10.670
  560   3HG2  VAL  56           3HG      VAL  56  -2.260   4.552 -10.041
  561    QG1  VAL  56           QG1      VAL  56  -0.478   3.914  -7.746
  562    QG2  VAL  56           QG2      VAL  56  -1.445   4.938 -10.507
  563    QQG  VAL  56           QQG      VAL  56  -0.961   4.426  -9.127
  564    H    LYS  57           HN       LYS  57  -0.270   8.493  -8.237
  565    HA   LYS  57           HA       LYS  57  -2.118   9.947 -10.069
  566   1HB   LYS  57           2HB      LYS  57  -1.680  11.166  -8.022
  567   2HB   LYS  57           3HB      LYS  57   0.044  10.900  -8.150
  568   1HG   LYS  57           2HG      LYS  57  -0.345  13.152  -8.829
  569   2HG   LYS  57           3HG      LYS  57   0.043  12.244 -10.273
  570   1HD   LYS  57           2HD      LYS  57  -2.592  11.962 -10.443
  571   2HD   LYS  57           3HD      LYS  57  -2.609  13.370  -9.392
  572   1HE   LYS  57           2HE      LYS  57  -2.625  14.170 -11.682
  573   2HE   LYS  57           3HE      LYS  57  -1.033  14.508 -11.003
  574   1HZ   LYS  57           2HZ      LYS  57  -1.215  11.890 -12.208
  575   2HZ   LYS  57           3HZ      LYS  57  -1.505  13.145 -13.310
  576   3HZ   LYS  57           1HZ      LYS  57  -0.044  13.115 -12.417
  577    QB   LYS  57           QB       LYS  57  -0.818  11.033  -8.086
  578    QG   LYS  57           QG       LYS  57  -0.151  12.698  -9.551
  579    QD   LYS  57           QD       LYS  57  -2.600  12.666  -9.918
  580    QE   LYS  57           QE       LYS  57  -1.828  14.339 -11.343
  581    QZ   LYS  57           QZ       LYS  57  -0.921  12.716 -12.645
  582    H    ALA  58           HN       ALA  58   0.962   8.468  -9.822
  583    HA   ALA  58           HA       ALA  58   1.959   7.674 -11.995
  584   1HB   ALA  58           1HB      ALA  58   0.730   9.297 -13.436
  585   2HB   ALA  58           2HB      ALA  58   1.712  10.611 -12.787
  586   3HB   ALA  58           3HB      ALA  58   2.459   9.349 -13.758
  587    QB   ALA  58           QB       ALA  58   1.634   9.753 -13.327
  588    H    GLU  59           HN       GLU  59   2.767  10.956 -10.975
  589    HA   GLU  59           HA       GLU  59   5.564  10.656 -10.935
  590   1HB   GLU  59           2HB      GLU  59   5.367  12.578  -9.156
  591   2HB   GLU  59           3HB      GLU  59   4.817  12.876 -10.796
  592   1HG   GLU  59           2HG      GLU  59   2.741  11.721  -9.012
  593   2HG   GLU  59           3HG      GLU  59   3.300  13.311  -8.530
  594    QB   GLU  59           QB       GLU  59   5.092  12.727  -9.976
  595    QG   GLU  59           QG       GLU  59   3.021  12.516  -8.771
  596    H    ASP  60           HN       ASP  60   3.180   9.781  -8.534
  597    HA   ASP  60           HA       ASP  60   5.113   9.184  -6.428
  598   1HB   ASP  60           2HB      ASP  60   3.095   8.143  -5.296
  599   2HB   ASP  60           3HB      ASP  60   2.824   9.814  -5.790
  600    QB   ASP  60           QB       ASP  60   2.959   8.978  -5.543
  601    H    ILE  61           HN       ILE  61   3.279   7.307  -8.801
  602    HA   ILE  61           HA       ILE  61   3.456   4.709  -8.118
  603    HB   ILE  61           HB       ILE  61   4.456   5.775 -10.791
  604   1HG1  ILE  61           2HG      ILE  61   1.743   4.779  -9.836
  605   2HG1  ILE  61           3HG      ILE  61   2.142   6.441 -10.226
  606   1HG2  ILE  61           3HG      ILE  61   5.176   3.413 -10.358
  607   2HG2  ILE  61           1HG      ILE  61   3.506   2.977 -10.021
  608   3HG2  ILE  61           2HG      ILE  61   3.978   3.494 -11.635
  609   1HD1  ILE  61           3HD      ILE  61   2.646   5.719 -12.587
  610   2HD1  ILE  61           1HD      ILE  61   2.114   4.094 -12.164
  611   3HD1  ILE  61           2HD      ILE  61   0.970   5.426 -12.129
  612    QG1  ILE  61           QG1      ILE  61   1.943   5.610 -10.031
  613    QG2  ILE  61           QG2      ILE  61   4.220   3.295 -10.672
  614    QD1  ILE  61           QD1      ILE  61   1.910   5.079 -12.293
  615    H    LEU  62           HN       LEU  62   6.290   6.249  -9.600
  616    HA   LEU  62           HA       LEU  62   8.186   4.256  -9.354
  617   1HB   LEU  62           2HB      LEU  62   8.507   7.208  -8.724
  618   2HB   LEU  62           3HB      LEU  62   9.866   6.114  -8.837
  619    HG   LEU  62           HG       LEU  62   9.655   7.287 -10.946
  620   1HD1  LEU  62           1HD      LEU  62  10.277   4.894 -11.066
  621   2HD1  LEU  62           2HD      LEU  62   8.585   4.462 -11.277
  622   3HD1  LEU  62           3HD      LEU  62   9.409   5.412 -12.505
  623   1HD2  LEU  62           2HD      LEU  62   7.214   7.859 -10.733
  624   2HD2  LEU  62           3HD      LEU  62   7.665   7.256 -12.323
  625   3HD2  LEU  62           1HD      LEU  62   6.830   6.201 -11.200
  626    QB   LEU  62           QB       LEU  62   9.186   6.661  -8.780
  627    QD1  LEU  62           QD1      LEU  62   9.424   4.922 -11.616
  628    QD2  LEU  62           QD2      LEU  62   7.236   7.105 -11.419
  629    QQD  LEU  62           QQD      LEU  62   8.330   6.014 -11.517
  630    H    ALA  63           HN       ALA  63   7.278   6.521  -6.806
  631    HA   ALA  63           HA       ALA  63   8.990   5.343  -4.803
  632   1HB   ALA  63           1HB      ALA  63   6.477   7.034  -4.493
  633   2HB   ALA  63           2HB      ALA  63   7.614   6.663  -3.201
  634   3HB   ALA  63           3HB      ALA  63   8.127   7.644  -4.571
  635    QB   ALA  63           QB       ALA  63   7.406   7.114  -4.088
  636    H    VAL  64           HN       VAL  64   5.630   4.849  -5.760
  637    HA   VAL  64           HA       VAL  64   4.971   3.131  -3.547
  638    HB   VAL  64           HB       VAL  64   3.851   3.108  -6.396
  639   1HG1  VAL  64           3HG      VAL  64   2.663   2.146  -3.764
  640   2HG1  VAL  64           1HG      VAL  64   1.833   2.155  -5.317
  641   3HG1  VAL  64           2HG      VAL  64   3.230   1.118  -5.076
  642   1HG2  VAL  64           3HG      VAL  64   2.958   4.663  -3.935
  643   2HG2  VAL  64           1HG      VAL  64   3.707   5.356  -5.365
  644   3HG2  VAL  64           2HG      VAL  64   2.110   4.633  -5.482
  645    QG1  VAL  64           QG1      VAL  64   2.575   1.807  -4.719
  646    QG2  VAL  64           QG2      VAL  64   2.924   4.884  -4.927
  647    QQG  VAL  64           QQG      VAL  64   2.750   3.346  -4.823
  648    H    GLU  65           HN       GLU  65   5.929   2.368  -6.899
  649    HA   GLU  65           HA       GLU  65   6.177  -0.420  -6.597
  650   1HB   GLU  65           2HB      GLU  65   8.160   1.228  -8.209
  651   2HB   GLU  65           3HB      GLU  65   7.586  -0.403  -8.539
  652   1HG   GLU  65           2HG      GLU  65   6.023   2.179  -8.809
  653   2HG   GLU  65           3HG      GLU  65   6.426   1.024 -10.071
  654    QB   GLU  65           QB       GLU  65   7.874   0.412  -8.374
  655    QG   GLU  65           QG       GLU  65   6.224   1.601  -9.441
  656    H    ASP  66           HN       ASP  66   8.717   2.035  -6.206
  657    HA   ASP  66           HA       ASP  66  10.763   0.348  -5.222
  658   1HB   ASP  66           2HB      ASP  66  10.884   2.827  -5.884
  659   2HB   ASP  66           3HB      ASP  66  10.179   3.222  -4.335
  660    QB   ASP  66           QB       ASP  66  10.532   3.024  -5.110
  661    H    PHE  67           HN       PHE  67   8.748   2.451  -3.255
  662    HA   PHE  67           HA       PHE  67   9.271   1.659  -0.689
  663   1HB   PHE  67           2HB      PHE  67   7.574   3.400  -1.251
  664   2HB   PHE  67           3HB      PHE  67   6.498   2.147  -1.849
  665    HD1  PHE  67          2HD       PHE  67   8.569   2.707   1.242
  666    HD2  PHE  67          1HD       PHE  67   4.817   1.473  -0.362
  667    HE1  PHE  67          2HE       PHE  67   7.737   2.272   3.516
  668    HE2  PHE  67          1HE       PHE  67   4.003   1.018   1.905
  669    HZ   PHE  67           HZ       PHE  67   5.477   1.362   3.844
  670    QB   PHE  67           QB       PHE  67   7.036   2.774  -1.549
  671    QR   PHE  67           QR       PHE  67   6.282   1.868   1.576
  672    H    LEU  68           HN       LEU  68   6.813   0.143  -2.733
  673    HA   LEU  68           HA       LEU  68   6.298  -1.956  -0.794
  674   1HB   LEU  68           2HB      LEU  68   5.650  -1.897  -3.772
  675   2HB   LEU  68           3HB      LEU  68   4.909  -2.951  -2.577
  676    HG   LEU  68           HG       LEU  68   4.736   0.097  -2.550
  677   1HD1  LEU  68           3HD      LEU  68   3.446  -1.001  -4.403
  678   2HD1  LEU  68           1HD      LEU  68   2.611  -1.980  -3.201
  679   3HD1  LEU  68           2HD      LEU  68   2.403  -0.232  -3.211
  680   1HD2  LEU  68           3HD      LEU  68   3.367  -2.025  -0.877
  681   2HD2  LEU  68           1HD      LEU  68   4.610  -0.916  -0.300
  682   3HD2  LEU  68           2HD      LEU  68   3.038  -0.302  -0.795
  683    QB   LEU  68           QB       LEU  68   5.280  -2.423  -3.174
  684    QD1  LEU  68           QD1      LEU  68   2.820  -1.071  -3.605
  685    QD2  LEU  68           QD2      LEU  68   3.672  -1.081  -0.657
  686    QQD  LEU  68           QQD      LEU  68   3.246  -1.076  -2.131
  687    H    GLU  69           HN       GLU  69   7.662  -2.161  -4.042
  688    HA   GLU  69           HA       GLU  69   8.546  -4.770  -4.092
  689   1HB   GLU  69           2HB      GLU  69   8.734  -2.901  -5.882
  690   2HB   GLU  69           3HB      GLU  69  10.242  -2.472  -5.103
  691   1HG   GLU  69           2HG      GLU  69  11.121  -4.742  -5.473
  692   2HG   GLU  69           3HG      GLU  69   9.600  -5.220  -6.224
  693    QB   GLU  69           QB       GLU  69   9.488  -2.687  -5.492
  694    QG   GLU  69           QG       GLU  69  10.361  -4.980  -5.849
  695    H    GLN  70           HN       GLN  70  10.427  -2.051  -2.859
  696    HA   GLN  70           HA       GLN  70  12.825  -3.256  -2.174
  697   1HB   GLN  70           2HB      GLN  70  11.201  -1.135  -0.779
  698   2HB   GLN  70           3HB      GLN  70  12.653  -1.748  -0.002
  699   1HG   GLN  70           2HG      GLN  70  13.889  -1.252  -2.182
  700   2HG   GLN  70           3HG      GLN  70  12.442  -0.396  -2.704
  701   1HE2  GLN  70           2HE      GLN  70  13.327   2.477  -0.876
  702   2HE2  GLN  70           1HE      GLN  70  12.462   1.791  -2.166
  703    QB   GLN  70           QB       GLN  70  11.927  -1.441  -0.391
  704    QG   GLN  70           QG       GLN  70  13.166  -0.825  -2.443
  705    QE2  GLN  70           QE2      GLN  70  12.894   2.134  -1.521
  706    H    ASN  71           HN       ASN  71   9.812  -3.386  -0.358
  707    HA   ASN  71           HA       ASN  71  11.008  -5.454   1.443
  708   1HB   ASN  71           2HB      ASN  71   8.355  -4.097   1.885
  709   2HB   ASN  71           3HB      ASN  71   9.463  -4.760   3.060
  710   1HD2  ASN  71           2HD      ASN  71   9.698  -0.884   2.178
  711   2HD2  ASN  71           1HD      ASN  71   8.417  -1.866   1.669
  712    QB   ASN  71           QB       ASN  71   8.909  -4.428   2.472
  713    QD2  ASN  71           QD2      ASN  71   9.058  -1.375   1.923
  714    H    GLU  72           HN       GLU  72   9.535  -5.254  -1.307
  715    HA   GLU  72           HA       GLU  72   8.470  -6.785  -2.635
  716   1HB   GLU  72           2HB      GLU  72   9.313  -8.680  -1.384
  717   2HB   GLU  72           3HB      GLU  72   8.158  -8.401  -0.098
  718   1HG   GLU  72           2HG      GLU  72   7.394 -10.261  -1.487
  719   2HG   GLU  72           3HG      GLU  72   6.294  -8.910  -1.685
  720    QB   GLU  72           QB       GLU  72   8.735  -8.541  -0.741
  721    QG   GLU  72           QG       GLU  72   6.845  -9.585  -1.587
  722    H    LEU  73           HN       LEU  73   7.033  -6.221   0.330
  723    HA   LEU  73           HA       LEU  73   4.668  -6.318   0.905
  724   1HB   LEU  73           2HB      LEU  73   5.973  -3.926   0.605
  725   2HB   LEU  73           3HB      LEU  73   4.591  -3.682  -0.432
  726    HG   LEU  73           HG       LEU  73   3.140  -4.537   1.528
  727   1HD1  LEU  73           3HD      LEU  73   5.797  -4.151   2.926
  728   2HD1  LEU  73           1HD      LEU  73   4.268  -4.307   3.770
  729   3HD1  LEU  73           2HD      LEU  73   4.883  -5.646   2.817
  730   1HD2  LEU  73           3HD      LEU  73   4.740  -1.984   1.967
  731   2HD2  LEU  73           1HD      LEU  73   3.218  -2.124   1.095
  732   3HD2  LEU  73           2HD      LEU  73   3.261  -2.406   2.824
  733    QB   LEU  73           QB       LEU  73   5.282  -3.804   0.086
  734    QD1  LEU  73           QD1      LEU  73   4.983  -4.701   3.171
  735    QD2  LEU  73           QD2      LEU  73   3.740  -2.171   1.962
  736    QQD  LEU  73           QQD      LEU  73   4.361  -3.437   2.567
  737    H    GLN  74           HN       GLN  74   4.697  -7.895  -0.956
  738    HA   GLN  74           HA       GLN  74   3.911  -8.433  -3.232
  739   1HB   GLN  74           2HB      GLN  74   1.817  -8.639  -1.057
  740   2HB   GLN  74           3HB      GLN  74   1.694  -9.480  -2.597
  741   1HG   GLN  74           2HG      GLN  74   3.781 -10.692  -2.147
  742   2HG   GLN  74           3HG      GLN  74   4.031  -9.775  -0.667
  743   1HE2  GLN  74           2HE      GLN  74   2.229 -12.129   1.211
  744   2HE2  GLN  74           1HE      GLN  74   3.447 -10.940   1.145
  745    QB   GLN  74           QB       GLN  74   1.756  -9.060  -1.827
  746    QG   GLN  74           QG       GLN  74   3.906 -10.233  -1.408
  747    QE2  GLN  74           QE2      GLN  74   2.838 -11.534   1.178
  748    OH   TYR  75           OH       TYR  75   7.747  -5.459  -7.832
  749    H    TYR  75           HN       TYR  75   3.665  -6.828  -4.745
  750    HA   TYR  75           HA       TYR  75   1.037  -5.395  -4.740
  751   1HB   TYR  75           2HB      TYR  75   2.211  -3.547  -5.928
  752   2HB   TYR  75           3HB      TYR  75   2.916  -3.850  -4.344
  753    HD1  TYR  75           HD1      TYR  75   5.037  -5.270  -4.204
  754    HD2  TYR  75           HD2      TYR  75   3.546  -3.807  -7.908
  755    HE1  TYR  75           HE1      TYR  75   7.152  -5.856  -5.289
  756    HE2  TYR  75           HE2      TYR  75   5.693  -4.305  -8.969
  757    HH   TYR  75           HH       TYR  75   8.390  -4.737  -7.706
  758    QB   TYR  75           QB       TYR  75   2.563  -3.698  -5.135
  759    QR   TYR  75           QR       TYR  75   5.357  -4.810  -6.593
  760    H    GLU  76           HN       GLU  76   0.159  -4.888  -6.878
  761    HA   GLU  76           HA       GLU  76   1.300  -6.208  -9.225
  762   1HB   GLU  76           2HB      GLU  76  -0.448  -7.835  -9.594
  763   2HB   GLU  76           3HB      GLU  76   0.134  -8.081  -7.956
  764   1HG   GLU  76           2HG      GLU  76  -1.774  -6.723  -7.098
  765   2HG   GLU  76           3HG      GLU  76  -2.371  -6.542  -8.742
  766    QB   GLU  76           QB       GLU  76  -0.156  -7.958  -8.775
  767    QG   GLU  76           QG       GLU  76  -2.072  -6.632  -7.920
  768    H    VAL  77           HN       VAL  77   0.293  -5.559 -11.175
  769    HA   VAL  77           HA       VAL  77  -1.846  -3.483 -10.911
  770    HB   VAL  77           HB       VAL  77   0.445  -2.608 -11.492
  771   1HG1  VAL  77           1HG      VAL  77   1.258  -4.540 -12.787
  772   2HG1  VAL  77           2HG      VAL  77   0.055  -4.226 -14.034
  773   3HG1  VAL  77           3HG      VAL  77   1.349  -3.070 -13.749
  774   1HG2  VAL  77           3HG      VAL  77  -1.575  -1.372 -12.198
  775   2HG2  VAL  77           1HG      VAL  77  -0.310  -1.220 -13.415
  776   3HG2  VAL  77           2HG      VAL  77  -1.653  -2.324 -13.680
  777    QG1  VAL  77           QG1      VAL  77   0.888  -3.945 -13.523
  778    QG2  VAL  77           QG2      VAL  77  -1.179  -1.638 -13.097
  779    QQG  VAL  77           QQG      VAL  77  -0.146  -2.792 -13.310
  780    H    LEU  78           HN       LEU  78  -3.520  -3.595 -12.556
  781    HA   LEU  78           HA       LEU  78  -3.341  -6.060 -14.260
  782   1HB   LEU  78           2HB      LEU  78  -5.725  -6.516 -13.791
  783   2HB   LEU  78           3HB      LEU  78  -4.734  -6.588 -12.347
  784    HG   LEU  78           HG       LEU  78  -5.648  -3.869 -12.655
  785   1HD1  LEU  78           2HD      LEU  78  -7.451  -4.848 -14.059
  786   2HD1  LEU  78           3HD      LEU  78  -7.860  -5.959 -12.759
  787   3HD1  LEU  78           1HD      LEU  78  -8.091  -4.226 -12.544
  788   1HD2  LEU  78           2HD      LEU  78  -5.058  -5.011 -10.521
  789   2HD2  LEU  78           3HD      LEU  78  -6.676  -4.318 -10.452
  790   3HD2  LEU  78           1HD      LEU  78  -6.470  -6.051 -10.699
  791    QB   LEU  78           QB       LEU  78  -5.229  -6.552 -13.070
  792    QD1  LEU  78           QD1      LEU  78  -7.801  -5.011 -13.121
  793    QD2  LEU  78           QD2      LEU  78  -6.067  -5.127 -10.557
  794    QQD  LEU  78           QQD      LEU  78  -6.934  -5.069 -11.840
  795    H    ILE  79           HN       ILE  79  -2.797  -3.554 -15.366
  796    HA   ILE  79           HA       ILE  79  -4.981  -3.430 -17.321
  797    HB   ILE  79           HB       ILE  79  -5.628  -1.655 -15.813
  798   1HG1  ILE  79           2HG      ILE  79  -4.100  -0.314 -18.067
  799   2HG1  ILE  79           3HG      ILE  79  -5.600  -1.194 -18.321
  800   1HG2  ILE  79           3HG      ILE  79  -2.762  -0.668 -16.019
  801   2HG2  ILE  79           1HG      ILE  79  -4.067   0.153 -15.170
  802   3HG2  ILE  79           2HG      ILE  79  -3.501  -1.410 -14.603
  803   1HD1  ILE  79           3HD      ILE  79  -6.742   0.324 -16.705
  804   2HD1  ILE  79           1HD      ILE  79  -5.234   1.217 -16.510
  805   3HD1  ILE  79           2HD      ILE  79  -6.054   1.213 -18.062
  806    QG1  ILE  79           QG1      ILE  79  -4.849  -0.754 -18.195
  807    QG2  ILE  79           QG2      ILE  79  -3.443  -0.641 -15.264
  808    QD1  ILE  79           QD1      ILE  79  -6.010   0.918 -17.092
  809    H    ASN  80           HN       ASN  80  -4.148  -3.424 -19.238
  810    HA   ASN  80           HA       ASN  80  -1.736  -3.932 -20.207
  811   1HB   ASN  80           2HB      ASN  80  -3.706  -3.303 -21.622
  812   2HB   ASN  80           3HB      ASN  80  -3.335  -1.609 -21.342
  813   1HD2  ASN  80           2HD      ASN  80  -0.099  -3.060 -23.213
  814   2HD2  ASN  80           1HD      ASN  80  -0.363  -3.257 -21.548
  815    QB   ASN  80           QB       ASN  80  -3.521  -2.456 -21.482
  816    QD2  ASN  80           QD2      ASN  80  -0.231  -3.158 -22.380
  817    H    ASN  81           HN       ASN  81  -2.587  -0.654 -19.239
  818    HA   ASN  81           HA       ASN  81   0.311   0.044 -19.072
  819   1HB   ASN  81           2HB      ASN  81  -0.637   1.296 -20.911
  820   2HB   ASN  81           3HB      ASN  81  -2.059   1.721 -19.967
  821   1HD2  ASN  81                 ASN  81  -0.358   4.246 -18.092
  822   2HD2  ASN  81           1HD      ASN  81  -1.570   3.073 -17.947
  823    QB   ASN  81           QB       ASN  81  -1.348   1.508 -20.439
  824    QD2  ASN  81           QD2      ASN  81  -0.963   3.659 -18.019
   
  Start of MODEL           7
 Raw file had 824 H/Q atoms
  Start of MODEL    7
    1   1H    HIS   1           HN1      HIS   1   2.967   9.054 -19.249
    2   2H    HIS   1           HN2      HIS   1   1.812   9.111 -18.064
    3   3H    HIS   1           HN3      HIS   1   2.666  10.476 -18.454
    4    HA   HIS   1           HA       HIS   1   4.131  10.032 -16.918
    5   1HB   HIS   1           2HB      HIS   1   3.452   8.683 -15.269
    6   2HB   HIS   1           3HB      HIS   1   2.053   8.379 -16.236
    7    HD1  HIS   1           HD1      HIS   1   1.802   6.051 -17.190
    8    HD2  HIS   1           HD2      HIS   1   5.382   6.488 -15.180
    9    HE1  HIS   1           HE1      HIS   1   2.755   3.748 -16.909
   10    QB   HIS   1           QB       HIS   1   2.752   8.531 -15.753
   11    H    HIS   2           HN       HIS   2   3.689   6.946 -18.749
   12    HA   HIS   2           HA       HIS   2   6.677   6.903 -19.037
   13   1HB   HIS   2           2HB      HIS   2   5.655   4.946 -17.940
   14   2HB   HIS   2           3HB      HIS   2   4.655   4.671 -19.340
   15    HD1  HIS   2           HD1      HIS   2   6.061   4.107 -21.571
   16    HD2  HIS   2           HD2      HIS   2   8.154   3.641 -18.041
   17    HE1  HIS   2           HE1      HIS   2   8.094   2.716 -22.107
   18    QB   HIS   2           QB       HIS   2   5.154   4.809 -18.640
   19    H    SER   3           HN       SER   3   7.569   6.145 -21.068
   20    HA   SER   3           HA       SER   3   6.692   7.559 -23.323
   21   1HB   SER   3           2HB      SER   3   8.171   4.907 -23.456
   22   2HB   SER   3           3HB      SER   3   8.351   6.316 -24.525
   23    HG   SER   3           HG       SER   3   9.738   7.033 -23.102
   24    QB   SER   3           QB       SER   3   8.261   5.611 -23.990
   25    H    GLY   4           HN       GLY   4   5.132   7.241 -24.791
   26   1HA   GLY   4           1HA      GLY   4   3.814   5.809 -26.278
   27   2HA   GLY   4           2HA      GLY   4   3.935   4.516 -25.083
   28    QA   GLY   4           QA       GLY   4   3.875   5.163 -25.680
   29    H    GLU   5           HN       GLU   5   3.465   6.359 -22.885
   30    HA   GLU   5           HA       GLU   5   0.502   6.419 -23.037
   31   1HB   GLU   5           2HB      GLU   5   1.753   5.246 -21.183
   32   2HB   GLU   5           3HB      GLU   5   2.370   6.810 -20.675
   33   1HG   GLU   5           2HG      GLU   5  -0.146   7.514 -20.558
   34   2HG   GLU   5           3HG      GLU   5  -0.470   5.778 -20.580
   35    QB   GLU   5           QB       GLU   5   2.061   6.027 -20.929
   36    QG   GLU   5           QG       GLU   5  -0.307   6.646 -20.569
   37    H    HIS   6           HN       HIS   6  -0.290   8.294 -23.742
   38    HA   HIS   6           HA       HIS   6   1.021  10.852 -22.919
   39   1HB   HIS   6           2HB      HIS   6  -0.223  11.823 -24.880
   40   2HB   HIS   6           3HB      HIS   6   1.043  10.699 -25.283
   41    HD1  HIS   6           HD1      HIS   6  -2.369  11.390 -25.960
   42    HD2  HIS   6           HD2      HIS   6  -0.115   7.930 -25.908
   43    HE1  HIS   6           HE1      HIS   6  -3.679   9.647 -27.227
   44    QB   HIS   6           QB       HIS   6   0.411  11.261 -25.082
   45    H    PHE   7           HN       PHE   7  -2.302   9.827 -23.847
   46    HA   PHE   7           HA       PHE   7  -3.315  11.774 -21.832
   47   1HB   PHE   7           2HB      PHE   7  -4.937  10.128 -23.800
   48   2HB   PHE   7           3HB      PHE   7  -5.470  11.549 -22.912
   49    HD1  PHE   7          1HD       PHE   7  -2.832  13.163 -23.303
   50    HD2  PHE   7          2HD       PHE   7  -5.332  11.031 -26.020
   51    HE1  PHE   7          1HE       PHE   7  -2.049  14.580 -25.137
   52    HE2  PHE   7          2HE       PHE   7  -4.536  12.454 -27.856
   53    HZ   PHE   7           HZ       PHE   7  -2.895  14.231 -27.418
   54    QB   PHE   7           QB       PHE   7  -5.203  10.839 -23.356
   55    QR   PHE   7           QR       PHE   7  -3.687  12.807 -25.579
   56    H    GLU   8           HN       GLU   8  -2.150   9.868 -20.524
   57    HA   GLU   8           HA       GLU   8  -4.365   8.427 -19.181
   58   1HB   GLU   8           2HB      GLU   8  -2.234   7.141 -20.760
   59   2HB   GLU   8           3HB      GLU   8  -2.307   6.540 -19.113
   60   1HG   GLU   8           2HG      GLU   8  -4.822   6.806 -20.777
   61   2HG   GLU   8           3HG      GLU   8  -3.795   5.391 -20.928
   62    QB   GLU   8           QB       GLU   8  -2.270   6.840 -19.936
   63    QG   GLU   8           QG       GLU   8  -4.309   6.098 -20.852
   64    H    GLY   9           HN       GLY   9  -3.265   7.296 -17.111
   65   1HA   GLY   9           1HA      GLY   9  -0.980   7.841 -15.817
   66   2HA   GLY   9           2HA      GLY   9  -1.618   9.477 -15.895
   67    QA   GLY   9           QA       GLY   9  -1.299   8.658 -15.857
   68    H    GLU  10           HN       GLU  10  -4.366   8.727 -15.546
   69    HA   GLU  10           HA       GLU  10  -4.369   8.483 -12.632
   70   1HB   GLU  10           2HB      GLU  10  -6.759   8.510 -14.514
   71   2HB   GLU  10           3HB      GLU  10  -6.767   8.889 -12.797
   72   1HG   GLU  10           2HG      GLU  10  -5.415  10.496 -15.001
   73   2HG   GLU  10           3HG      GLU  10  -6.824  10.977 -14.072
   74    QB   GLU  10           QB       GLU  10  -6.763   8.700 -13.655
   75    QG   GLU  10           QG       GLU  10  -6.119  10.736 -14.537
   76    H    LYS  11           HN       LYS  11  -3.272   6.426 -12.826
   77    HA   LYS  11           HA       LYS  11  -4.973   4.120 -13.600
   78   1HB   LYS  11           2HB      LYS  11  -2.373   4.539 -14.107
   79   2HB   LYS  11           3HB      LYS  11  -2.167   3.886 -12.502
   80   1HG   LYS  11           2HG      LYS  11  -1.939   2.122 -14.210
   81   2HG   LYS  11           3HG      LYS  11  -3.302   1.801 -13.163
   82   1HD   LYS  11           2HD      LYS  11  -3.784   1.383 -15.585
   83   2HD   LYS  11           3HD      LYS  11  -4.868   2.564 -14.869
   84   1HE   LYS  11           2HE      LYS  11  -3.663   4.405 -15.897
   85   2HE   LYS  11           3HE      LYS  11  -2.379   3.327 -16.439
   86   1HZ   LYS  11           1HZ      LYS  11  -4.782   2.294 -17.421
   87   2HZ   LYS  11           2HZ      LYS  11  -4.812   3.979 -17.706
   88   3HZ   LYS  11           3HZ      LYS  11  -3.526   3.040 -18.296
   89    QB   LYS  11           QB       LYS  11  -2.271   4.212 -13.305
   90    QG   LYS  11           QG       LYS  11  -2.620   1.962 -13.686
   91    QD   LYS  11           QD       LYS  11  -4.327   1.974 -15.227
   92    QE   LYS  11           QE       LYS  11  -3.021   3.867 -16.168
   93    QZ   LYS  11           QZ       LYS  11  -4.373   3.105 -17.808
   94    H    VAL  12           HN       VAL  12  -4.718   2.230 -12.063
   95    HA   VAL  12           HA       VAL  12  -5.207   3.165  -9.255
   96    HB   VAL  12           HB       VAL  12  -6.258   0.636 -10.589
   97   1HG1  VAL  12           3HG      VAL  12  -7.066   2.075  -8.037
   98   2HG1  VAL  12           1HG      VAL  12  -7.839   0.627  -8.679
   99   3HG1  VAL  12           2HG      VAL  12  -6.174   0.560  -8.119
  100   1HG2  VAL  12           1HG      VAL  12  -7.645   3.310 -10.189
  101   2HG2  VAL  12           2HG      VAL  12  -7.186   2.608 -11.737
  102   3HG2  VAL  12           3HG      VAL  12  -8.429   1.840 -10.756
  103    QG1  VAL  12           QG1      VAL  12  -7.026   1.087  -8.278
  104    QG2  VAL  12           QG2      VAL  12  -7.753   2.586 -10.894
  105    QQG  VAL  12           QQG      VAL  12  -7.390   1.836  -9.586
  106    H    PHE  13           HN       PHE  13  -4.349   1.730  -7.576
  107    HA   PHE  13           HA       PHE  13  -2.356  -0.257  -8.582
  108   1HB   PHE  13           2HB      PHE  13  -1.609   2.255  -7.639
  109   2HB   PHE  13           3HB      PHE  13  -1.426   1.237  -6.227
  110    HD1  PHE  13          1HD       PHE  13  -0.867   0.719  -9.893
  111    HD2  PHE  13          2HD       PHE  13   0.806   0.552  -5.976
  112    HE1  PHE  13          1HE       PHE  13   1.286   0.048 -10.833
  113    HE2  PHE  13          2HE       PHE  13   2.958  -0.126  -6.933
  114    HZ   PHE  13           HZ       PHE  13   3.211  -0.324  -9.363
  115    QB   PHE  13           QB       PHE  13  -1.517   1.746  -6.934
  116    QR   PHE  13           QR       PHE  13   1.046   0.298  -8.409
  117    NH1  ARG  14           NH1      ARG  14  -5.857  -6.234  -7.806
  118    NH2  ARG  14           NH2      ARG  14  -6.955  -4.228  -7.695
  119    H    ARG  14           HN       ARG  14  -1.597  -1.695  -6.884
  120    HA   ARG  14           HA       ARG  14  -3.325  -1.803  -4.484
  121   1HB   ARG  14           2HB      ARG  14  -4.580  -3.077  -6.153
  122   2HB   ARG  14           3HB      ARG  14  -3.142  -3.978  -6.589
  123   1HG   ARG  14           2HG      ARG  14  -3.064  -4.928  -4.266
  124   2HG   ARG  14           3HG      ARG  14  -4.556  -4.065  -3.895
  125   1HD   ARG  14           2HD      ARG  14  -4.199  -6.101  -6.099
  126   2HD   ARG  14           3HD      ARG  14  -5.006  -6.416  -4.568
  127    HE   ARG  14           HE       ARG  14  -6.679  -4.612  -5.264
  128   1HH1  ARG  14           2HH      ARG  14  -5.319  -6.951  -7.341
  129   2HH1  ARG  14           1HH      ARG  14  -6.043  -6.330  -8.781
  130   1HH2  ARG  14           2HH      ARG  14  -7.254  -3.440  -7.135
  131   2HH2  ARG  14           1HH      ARG  14  -7.157  -4.248  -8.673
  132    QB   ARG  14           QB       ARG  14  -3.861  -3.527  -6.371
  133    QG   ARG  14           QG       ARG  14  -3.809  -4.497  -4.080
  134    QD   ARG  14           QD       ARG  14  -4.602  -6.259  -5.333
  135    QH1  ARG  14           QH1      ARG  14  -5.681  -6.641  -8.062
  136    QH2  ARG  14           QH2      ARG  14  -7.205  -3.843  -7.904
  137    H    VAL  15           HN       VAL  15  -2.620  -3.116  -2.921
  138    HA   VAL  15           HA       VAL  15   0.108  -4.211  -3.168
  139    HB   VAL  15           HB       VAL  15   0.146  -1.856  -2.315
  140   1HG1  VAL  15           1HG      VAL  15  -1.378  -3.030   0.026
  141   2HG1  VAL  15           2HG      VAL  15  -0.647  -1.429  -0.004
  142   3HG1  VAL  15           3HG      VAL  15  -1.970  -1.808  -1.099
  143   1HG2  VAL  15           2HG      VAL  15   1.906  -3.416  -1.793
  144   2HG2  VAL  15           3HG      VAL  15   1.624  -2.313  -0.448
  145   3HG2  VAL  15           1HG      VAL  15   1.022  -3.972  -0.371
  146    QG1  VAL  15           QG1      VAL  15  -1.332  -2.089  -0.359
  147    QG2  VAL  15           QG2      VAL  15   1.518  -3.233  -0.870
  148    QQG  VAL  15           QQG      VAL  15   0.093  -2.662  -0.614
  149    H    ASN  16           HN       ASN  16   0.398  -5.954  -1.622
  150    HA   ASN  16           HA       ASN  16  -2.241  -6.988  -0.705
  151   1HB   ASN  16           2HB      ASN  16   0.394  -8.365  -1.278
  152   2HB   ASN  16           3HB      ASN  16  -0.982  -9.183  -0.570
  153   1HD2  ASN  16           2HD      ASN  16  -2.357  -7.867  -4.098
  154   2HD2  ASN  16           1HD      ASN  16  -2.197  -6.862  -2.733
  155    QB   ASN  16           QB       ASN  16  -0.295  -8.774  -0.924
  156    QD2  ASN  16           QD2      ASN  16  -2.277  -7.364  -3.415
  157    H    VAL  17           HN       VAL  17  -1.963  -8.423   1.245
  158    HA   VAL  17           HA       VAL  17  -0.105  -7.198   3.183
  159    HB   VAL  17           HB       VAL  17  -3.055  -7.632   3.751
  160   1HG1  VAL  17           3HG      VAL  17  -1.465  -7.639   5.702
  161   2HG1  VAL  17           1HG      VAL  17  -0.969  -6.010   5.242
  162   3HG1  VAL  17           2HG      VAL  17  -2.624  -6.318   5.746
  163   1HG2  VAL  17           1HG      VAL  17  -1.579  -5.065   3.031
  164   2HG2  VAL  17           2HG      VAL  17  -2.779  -5.878   2.032
  165   3HG2  VAL  17           3HG      VAL  17  -3.259  -5.155   3.556
  166    QG1  VAL  17           QG1      VAL  17  -1.686  -6.656   5.563
  167    QG2  VAL  17           QG2      VAL  17  -2.539  -5.366   2.873
  168    QQG  VAL  17           QQG      VAL  17  -2.112  -6.011   4.218
  169    H    GLU  18           HN       GLU  18   1.020  -9.290   2.919
  170    HA   GLU  18           HA       GLU  18  -0.163 -11.808   3.260
  171   1HB   GLU  18           2HB      GLU  18   2.505 -10.937   4.440
  172   2HB   GLU  18           3HB      GLU  18   2.024 -12.563   4.012
  173   1HG   GLU  18           2HG      GLU  18   2.118 -10.350   1.941
  174   2HG   GLU  18           3HG      GLU  18   3.521 -11.325   2.312
  175    QB   GLU  18           QB       GLU  18   2.265 -11.750   4.226
  176    QG   GLU  18           QG       GLU  18   2.819 -10.837   2.126
  177    H    ASP  19           HN       ASP  19   0.890  -9.453   5.674
  178    HA   ASP  19           HA       ASP  19  -1.118 -10.102   7.560
  179   1HB   ASP  19           2HB      ASP  19   0.329 -11.207   9.322
  180   2HB   ASP  19           3HB      ASP  19  -0.069 -12.232   7.971
  181    QB   ASP  19           QB       ASP  19   0.130 -11.719   8.646
  182    H    GLU  20           HN       GLU  20   0.189  -9.523   9.938
  183    HA   GLU  20           HA       GLU  20   0.287  -6.807  10.048
  184   1HB   GLU  20           2HB      GLU  20   1.640  -8.991  11.580
  185   2HB   GLU  20           3HB      GLU  20   2.056  -7.333  11.947
  186   1HG   GLU  20           2HG      GLU  20   0.151  -8.160  13.350
  187   2HG   GLU  20           3HG      GLU  20  -0.318  -6.788  12.357
  188    QB   GLU  20           QB       GLU  20   1.848  -8.161  11.764
  189    QG   GLU  20           QG       GLU  20  -0.083  -7.473  12.854
  190    H    ASN  21           HN       ASN  21   2.867  -8.873   8.838
  191    HA   ASN  21           HA       ASN  21   5.083  -7.124   8.840
  192   1HB   ASN  21           2HB      ASN  21   5.358  -9.362   7.935
  193   2HB   ASN  21           3HB      ASN  21   4.094  -9.106   6.747
  194   1HD2  ASN  21           2HD      ASN  21   6.255  -7.593   4.380
  195   2HD2  ASN  21           1HD      ASN  21   4.667  -8.113   4.734
  196    QB   ASN  21           QB       ASN  21   4.726  -9.235   7.342
  197    QD2  ASN  21           QD2      ASN  21   5.461  -7.853   4.557
  198    H    ASP  22           HN       ASP  22   2.633  -7.506   6.428
  199    HA   ASP  22           HA       ASP  22   3.414  -5.305   4.742
  200   1HB   ASP  22           2HB      ASP  22   0.799  -6.803   5.075
  201   2HB   ASP  22           3HB      ASP  22   1.250  -5.873   3.664
  202    QB   ASP  22           QB       ASP  22   1.024  -6.339   4.370
  203    H    ILE  23           HN       ILE  23   0.927  -5.758   7.207
  204    HA   ILE  23           HA       ILE  23  -0.327  -3.203   6.909
  205    HB   ILE  23           HB       ILE  23  -0.011  -4.772   9.494
  206   1HG1  ILE  23           2HG      ILE  23  -1.941  -4.994   7.167
  207   2HG1  ILE  23           3HG      ILE  23  -0.862  -6.239   7.763
  208   1HG2  ILE  23           1HG      ILE  23  -0.863  -2.447   9.749
  209   2HG2  ILE  23           2HG      ILE  23  -2.112  -2.774   8.551
  210   3HG2  ILE  23           3HG      ILE  23  -2.125  -3.620  10.095
  211   1HD1  ILE  23           3HD      ILE  23  -2.130  -6.272   9.903
  212   2HD1  ILE  23           1HD      ILE  23  -3.269  -5.115   9.222
  213   3HD1  ILE  23           2HD      ILE  23  -3.108  -6.715   8.516
  214    QG1  ILE  23           QG1      ILE  23  -1.402  -5.616   7.465
  215    QG2  ILE  23           QG2      ILE  23  -1.700  -2.948   9.465
  216    QD1  ILE  23           QD1      ILE  23  -2.836  -6.034   9.213
  217    H    SER  24           HN       SER  24   2.464  -4.269   8.728
  218    HA   SER  24           HA       SER  24   2.925  -1.806  10.166
  219   1HB   SER  24           2HB      SER  24   4.868  -4.026   9.347
  220   2HB   SER  24           3HB      SER  24   5.232  -2.736  10.510
  221    HG   SER  24           HG       SER  24   3.380  -4.850  10.681
  222    QB   SER  24           QB       SER  24   5.050  -3.381   9.929
  223    H    GLU  25           HN       GLU  25   4.113  -3.184   7.138
  224    HA   GLU  25           HA       GLU  25   5.820  -1.005   6.409
  225   1HB   GLU  25           2HB      GLU  25   4.271  -2.963   4.669
  226   2HB   GLU  25           3HB      GLU  25   5.566  -1.930   4.095
  227   1HG   GLU  25           2HG      GLU  25   6.273  -3.498   6.501
  228   2HG   GLU  25           3HG      GLU  25   5.911  -4.486   5.104
  229    QB   GLU  25           QB       GLU  25   4.918  -2.447   4.381
  230    QG   GLU  25           QG       GLU  25   6.092  -3.991   5.802
  231    H    LEU  26           HN       LEU  26   2.537  -1.722   5.060
  232    HA   LEU  26           HA       LEU  26   2.184   0.646   3.722
  233   1HB   LEU  26           2HB      LEU  26   0.781  -1.494   3.932
  234   2HB   LEU  26           3HB      LEU  26   0.079  -0.780   5.366
  235    HG   LEU  26           HG       LEU  26  -1.012  -0.568   3.027
  236   1HD1  LEU  26           1HD      LEU  26  -0.822   1.751   4.978
  237   2HD1  LEU  26           2HD      LEU  26  -2.107   1.564   3.790
  238   3HD1  LEU  26           3HD      LEU  26  -1.938   0.394   5.094
  239   1HD2  LEU  26           2HD      LEU  26   0.900   0.538   1.897
  240   2HD2  LEU  26           3HD      LEU  26  -0.536   1.549   1.870
  241   3HD2  LEU  26           1HD      LEU  26   0.753   1.901   3.010
  242    QB   LEU  26           QB       LEU  26   0.431  -1.137   4.649
  243    QD1  LEU  26           QD1      LEU  26  -1.623   1.236   4.621
  244    QD2  LEU  26           QD2      LEU  26   0.373   1.329   2.259
  245    QQD  LEU  26           QQD      LEU  26  -0.625   1.283   3.440
  246    H    HIS  27           HN       HIS  27   1.530   0.004   7.156
  247    HA   HIS  27           HA       HIS  27   0.308   2.312   8.044
  248   1HB   HIS  27           2HB      HIS  27   2.329   0.493   9.188
  249   2HB   HIS  27           3HB      HIS  27   2.271   2.058   9.944
  250    HD1  HIS  27           HD1      HIS  27   0.998   1.745  11.965
  251    HD2  HIS  27           HD2      HIS  27  -0.832  -0.264   8.882
  252    HE1  HIS  27           HE1      HIS  27  -1.111   0.747  12.916
  253    QB   HIS  27           QB       HIS  27   2.300   1.276   9.566
  254    H    GLU  28           HN       GLU  28   3.818   1.982   7.861
  255    HA   GLU  28           HA       GLU  28   4.565   4.599   8.408
  256   1HB   GLU  28           2HB      GLU  28   6.056   2.584   8.004
  257   2HB   GLU  28           3HB      GLU  28   5.834   2.836   6.278
  258   1HG   GLU  28           2HG      GLU  28   7.919   3.894   7.054
  259   2HG   GLU  28           3HG      GLU  28   6.787   5.116   6.491
  260    QB   GLU  28           QB       GLU  28   5.945   2.710   7.141
  261    QG   GLU  28           QG       GLU  28   7.353   4.506   6.773
  262    H    LEU  29           HN       LEU  29   3.358   3.310   5.368
  263    HA   LEU  29           HA       LEU  29   3.636   5.990   4.097
  264   1HB   LEU  29           2HB      LEU  29   4.480   3.793   3.027
  265   2HB   LEU  29           3HB      LEU  29   2.788   3.402   2.779
  266    HG   LEU  29           HG       LEU  29   2.502   5.493   1.451
  267   1HD1  LEU  29           1HD      LEU  29   5.508   5.773   1.851
  268   2HD1  LEU  29           2HD      LEU  29   4.544   6.733   0.735
  269   3HD1  LEU  29           3HD      LEU  29   4.280   6.878   2.463
  270   1HD2  LEU  29           3HD      LEU  29   4.783   3.706   0.533
  271   2HD2  LEU  29           1HD      LEU  29   3.066   3.382   0.313
  272   3HD2  LEU  29           2HD      LEU  29   3.815   4.744  -0.513
  273    QB   LEU  29           QB       LEU  29   3.634   3.598   2.903
  274    QD1  LEU  29           QD1      LEU  29   4.777   6.461   1.683
  275    QD2  LEU  29           QD2      LEU  29   3.888   3.945   0.111
  276    QQD  LEU  29           QQD      LEU  29   4.332   5.202   0.897
  277    H    ALA  30           HN       ALA  30   1.608   5.278   6.126
  278    HA   ALA  30           HA       ALA  30  -0.858   5.626   4.461
  279   1HB   ALA  30           2HB      ALA  30  -0.879   3.710   6.027
  280   2HB   ALA  30           3HB      ALA  30  -0.575   4.799   7.376
  281   3HB   ALA  30           1HB      ALA  30  -2.086   4.909   6.481
  282    QB   ALA  30           QB       ALA  30  -1.180   4.472   6.628
  283    H    SER  31           HN       SER  31   1.218   7.141   6.767
  284    HA   SER  31           HA       SER  31  -0.729   9.349   7.284
  285   1HB   SER  31           2HB      SER  31   2.076   8.950   8.438
  286   2HB   SER  31           3HB      SER  31   0.847  10.097   9.005
  287    HG   SER  31           HG       SER  31   1.053   7.396   9.438
  288    QB   SER  31           QB       SER  31   1.461   9.524   8.721
  289    H    THR  32           HN       THR  32   2.619   8.885   6.246
  290    HA   THR  32           HA       THR  32   2.673  11.565   4.985
  291    HB   THR  32           HB       THR  32   4.880   9.438   5.251
  292    HG1  THR  32          1HG       THR  32   4.920  10.254   7.207
  293   1HG2  THR  32           1HG      THR  32   5.014  12.436   4.659
  294   2HG2  THR  32           2HG      THR  32   6.386  11.340   4.764
  295   3HG2  THR  32           3HG      THR  32   5.247  11.197   3.431
  296    QG2  THR  32           QG2      THR  32   5.549  11.658   4.284
  297    NH1  ARG  33           NH2      ARG  33  -3.683  10.037   1.078
  298    NH2  ARG  33           NH1      ARG  33  -5.309   8.606   1.804
  299    H    ARG  33           HN       ARG  33   0.835  10.085   4.005
  300    HA   ARG  33           HA       ARG  33   1.451   8.275   1.887
  301   1HB   ARG  33           2HB      ARG  33  -0.944  10.004   2.527
  302   2HB   ARG  33           3HB      ARG  33  -0.912   9.042   1.056
  303   1HG   ARG  33           2HG      ARG  33  -0.640   6.997   2.320
  304   2HG   ARG  33           3HG      ARG  33  -0.430   7.901   3.807
  305   1HD   ARG  33           2HD      ARG  33  -2.745   6.938   3.551
  306   2HD   ARG  33           3HD      ARG  33  -2.752   8.688   3.725
  307    HE   ARG  33           HE       ARG  33  -2.884   7.424   0.993
  308   1HH1  ARG  33           2HH      ARG  33  -2.713  10.212   0.919
  309   2HH1  ARG  33           1HH      ARG  33  -4.368  10.731   0.824
  310   1HH2  ARG  33           2HH      ARG  33  -5.544   7.740   2.244
  311   2HH2  ARG  33           1HH      ARG  33  -6.046   9.245   1.522
  312    QB   ARG  33           QB       ARG  33  -0.928   9.523   1.792
  313    QG   ARG  33           QG       ARG  33  -0.536   7.449   3.063
  314    QD   ARG  33           QD       ARG  33  -2.748   7.813   3.639
  315    QH1  ARG  33           QH2      ARG  33  -3.540  10.471   0.872
  316    QH2  ARG  33           QH1      ARG  33  -5.795   8.492   1.883
  317    H    GLN  34           HN       GLN  34   1.572   8.454  -0.221
  318    HA   GLN  34           HA       GLN  34   1.729  11.149  -1.538
  319   1HB   GLN  34           2HB      GLN  34   3.294   8.596  -2.164
  320   2HB   GLN  34           3HB      GLN  34   3.352  10.065  -3.121
  321   1HG   GLN  34           2HG      GLN  34   4.001  10.194  -0.172
  322   2HG   GLN  34           3HG      GLN  34   5.216   9.638  -1.320
  323   1HE2  GLN  34           2HE      GLN  34   5.979  12.904  -2.336
  324   2HE2  GLN  34           1HE      GLN  34   6.444  11.276  -2.249
  325    QB   GLN  34           QB       GLN  34   3.323   9.330  -2.642
  326    QG   GLN  34           QG       GLN  34   4.608   9.916  -0.746
  327    QE2  GLN  34           QE2      GLN  34   6.211  12.090  -2.293
  328    H    ILE  35           HN       ILE  35  -0.030   8.567  -1.003
  329    HA   ILE  35           HA       ILE  35  -1.373   8.450  -3.660
  330    HB   ILE  35           HB       ILE  35  -1.501   5.966  -3.402
  331   1HG1  ILE  35           2HG      ILE  35  -0.002   6.620  -0.833
  332   2HG1  ILE  35           3HG      ILE  35  -1.517   5.760  -1.002
  333   1HG2  ILE  35           1HG      ILE  35   0.444   6.950  -4.626
  334   2HG2  ILE  35           2HG      ILE  35   1.351   6.995  -3.119
  335   3HG2  ILE  35           3HG      ILE  35   0.881   5.449  -3.814
  336   1HD1  ILE  35           1HD      ILE  35  -0.287   3.886  -2.112
  337   2HD1  ILE  35           2HD      ILE  35   1.225   4.740  -1.793
  338   3HD1  ILE  35           3HD      ILE  35   0.232   4.184  -0.455
  339    QG1  ILE  35           QG1      ILE  35  -0.759   6.190  -0.917
  340    QG2  ILE  35           QG2      ILE  35   0.892   6.465  -3.853
  341    QD1  ILE  35           QD1      ILE  35   0.390   4.270  -1.453
  342    H    ASP  36           HN       ASP  36  -3.692   7.780  -3.384
  343    HA   ASP  36           HA       ASP  36  -4.529   8.083  -0.523
  344   1HB   ASP  36           2HB      ASP  36  -5.400   9.730  -2.525
  345   2HB   ASP  36           3HB      ASP  36  -6.663   8.491  -2.517
  346    QB   ASP  36           QB       ASP  36  -6.032   9.110  -2.521
  347    H    PHE  37           HN       PHE  37  -6.664   6.907  -0.071
  348    HA   PHE  37           HA       PHE  37  -6.387   4.221  -1.376
  349   1HB   PHE  37           2HB      PHE  37  -7.083   4.890   1.498
  350   2HB   PHE  37           3HB      PHE  37  -7.183   3.277   0.811
  351    HD1  PHE  37          1HD       PHE  37  -4.662   6.084   0.929
  352    HD2  PHE  37          2HD       PHE  37  -5.357   1.902   1.199
  353    HE1  PHE  37          1HE       PHE  37  -2.277   5.714   1.372
  354    HE2  PHE  37          2HE       PHE  37  -2.969   1.537   1.693
  355    HZ   PHE  37           HZ       PHE  37  -1.445   3.464   1.826
  356    QB   PHE  37           QB       PHE  37  -7.134   4.083   1.155
  357    QR   PHE  37           QR       PHE  37  -3.816   3.809   1.299
  358    CH2  TRP  38           CH2      TRP  38  -9.531   4.831  -8.167
  359    H    TRP  38           HN       TRP  38  -8.222   2.901  -1.517
  360    HA   TRP  38           HA       TRP  38 -10.805   4.414  -1.505
  361   1HB   TRP  38           2HB      TRP  38  -9.766   2.290  -3.379
  362   2HB   TRP  38           3HB      TRP  38 -11.446   2.744  -3.322
  363    HD1  TRP  38           HD1      TRP  38 -10.209   5.979  -2.804
  364    HE1  TRP  38           HE1      TRP  38  -9.772   7.287  -4.870
  365    HE3  TRP  38           HE3      TRP  38 -10.026   2.187  -6.073
  366    HZ2  TRP  38           HZ2      TRP  38  -9.479   6.885  -7.578
  367    HZ3  TRP  38           HZ3      TRP  38  -9.647   2.721  -8.473
  368    HH2  TRP  38           HH2      TRP  38  -9.353   5.045  -9.211
  369    QB   TRP  38           QB       TRP  38 -10.606   2.517  -3.350
  370    H    LYS  39           HN       LYS  39  -9.402   1.146  -1.255
  371    HA   LYS  39           HA       LYS  39 -11.274   0.671   0.987
  372   1HB   LYS  39           2HB      LYS  39 -11.797  -1.635   0.098
  373   2HB   LYS  39           3HB      LYS  39 -12.514  -0.299  -0.777
  374   1HG   LYS  39           2HG      LYS  39 -10.871  -0.475  -2.551
  375   2HG   LYS  39           3HG      LYS  39  -9.975  -1.703  -1.656
  376   1HD   LYS  39           2HD      LYS  39 -11.594  -3.350  -2.013
  377   2HD   LYS  39           3HD      LYS  39 -12.904  -2.185  -2.134
  378   1HE   LYS  39           2HE      LYS  39 -12.423  -3.236  -4.319
  379   2HE   LYS  39           3HE      LYS  39 -12.142  -1.500  -4.360
  380   1HZ   LYS  39           2HZ      LYS  39  -9.752  -2.741  -3.567
  381   2HZ   LYS  39           3HZ      LYS  39 -10.316  -3.555  -4.942
  382   3HZ   LYS  39           1HZ      LYS  39 -10.070  -1.880  -4.992
  383    QB   LYS  39           QB       LYS  39 -12.156  -0.967  -0.340
  384    QG   LYS  39           QG       LYS  39 -10.423  -1.088  -2.104
  385    QD   LYS  39           QD       LYS  39 -12.250  -2.767  -2.073
  386    QE   LYS  39           QE       LYS  39 -12.282  -2.368  -4.339
  387    QZ   LYS  39           QZ       LYS  39 -10.046  -2.725  -4.500
  388    HA   PRO  40           HA       PRO  40 -11.346   0.144   2.917
  389   1HB   PRO  40           2HB      PRO  40  -9.142   0.148   4.945
  390   2HB   PRO  40           3HB      PRO  40 -10.840  -0.321   5.131
  391   1HG   PRO  40           2HG      PRO  40  -8.900  -2.213   4.979
  392   2HG   PRO  40           3HG      PRO  40 -10.476  -2.476   4.226
  393   1HD   PRO  40           2HD      PRO  40  -7.865  -1.732   2.911
  394   2HD   PRO  40           3HD      PRO  40  -9.166  -2.776   2.304
  395    QB   PRO  40           QB       PRO  40  -9.991  -0.087   5.039
  396    QG   PRO  40           QG       PRO  40  -9.688  -2.345   4.602
  397    QD   PRO  40           QD       PRO  40  -8.516  -2.254   2.608
  398    H    ASP  41           HN       ASP  41 -11.259   2.294   4.189
  399    HA   ASP  41           HA       ASP  41  -9.789   4.234   2.536
  400   1HB   ASP  41           2HB      ASP  41 -11.107   5.913   3.774
  401   2HB   ASP  41           3HB      ASP  41 -12.165   4.618   3.224
  402    QB   ASP  41           QB       ASP  41 -11.637   5.266   3.499
  403    H    SER  42           HN       SER  42 -10.017   3.457   5.984
  404    HA   SER  42           HA       SER  42  -7.517   4.993   6.452
  405   1HB   SER  42           2HB      SER  42  -9.687   3.956   8.311
  406   2HB   SER  42           3HB      SER  42  -8.195   4.726   8.892
  407    HG   SER  42           HG       SER  42 -10.294   5.797   7.318
  408    QB   SER  42           QB       SER  42  -8.941   4.341   8.602
  409    H    VAL  43           HN       VAL  43  -5.686   4.022   6.719
  410    HA   VAL  43           HA       VAL  43  -5.015   1.407   6.282
  411    HB   VAL  43           HB       VAL  43  -3.340   3.106   6.381
  412   1HG1  VAL  43           1HG      VAL  43  -4.426   4.516   8.138
  413   2HG1  VAL  43           2HG      VAL  43  -3.949   3.339   9.356
  414   3HG1  VAL  43           3HG      VAL  43  -2.726   4.244   8.482
  415   1HG2  VAL  43           1HG      VAL  43  -2.605   0.808   7.010
  416   2HG2  VAL  43           2HG      VAL  43  -1.637   2.045   7.795
  417   3HG2  VAL  43           3HG      VAL  43  -2.874   1.194   8.704
  418    QG1  VAL  43           QG1      VAL  43  -3.700   4.033   8.658
  419    QG2  VAL  43           QG2      VAL  43  -2.372   1.349   7.837
  420    QQG  VAL  43           QQG      VAL  43  -3.036   2.691   8.247
  421    H    THR  44           HN       THR  44  -5.939   2.712   9.419
  422    HA   THR  44           HA       THR  44  -5.168   0.471  11.008
  423    HB   THR  44           HB       THR  44  -6.982   1.602  12.597
  424    HG1  THR  44          1HG       THR  44  -8.076   2.973  11.397
  425   1HG2  THR  44           3HG      THR  44  -4.675   3.272  11.478
  426   2HG2  THR  44           1HG      THR  44  -5.447   3.494  13.043
  427   3HG2  THR  44           2HG      THR  44  -4.474   2.058  12.737
  428    QG2  THR  44           QG2      THR  44  -4.865   2.941  12.419
  429    H    GLN  45           HN       GLN  45  -7.048  -0.054   8.606
  430    HA   GLN  45           HA       GLN  45  -8.926  -1.774  10.179
  431   1HB   GLN  45           2HB      GLN  45  -9.361  -0.470   7.477
  432   2HB   GLN  45           3HB      GLN  45 -10.492  -1.567   8.264
  433   1HG   GLN  45           2HG      GLN  45 -10.773  -0.019  10.135
  434   2HG   GLN  45           3HG      GLN  45  -9.507   1.035   9.503
  435   1HE2  GLN  45           2HE      GLN  45 -11.590   1.995   6.662
  436   2HE2  GLN  45           1HE      GLN  45 -10.007   1.444   6.942
  437    QB   GLN  45           QB       GLN  45  -9.926  -1.019   7.871
  438    QG   GLN  45           QG       GLN  45 -10.139   0.507   9.819
  439    QE2  GLN  45           QE2      GLN  45 -10.799   1.720   6.802
  440    H    ILE  46           HN       ILE  46  -6.669  -1.505   7.559
  441    HA   ILE  46           HA       ILE  46  -7.154  -3.860   6.111
  442    HB   ILE  46           HB       ILE  46  -4.662  -2.279   6.756
  443   1HG1  ILE  46           2HG      ILE  46  -4.706  -1.997   4.245
  444   2HG1  ILE  46           3HG      ILE  46  -6.214  -2.904   4.219
  445   1HG2  ILE  46           3HG      ILE  46  -4.715  -4.822   5.080
  446   2HG2  ILE  46           1HG      ILE  46  -3.357  -3.706   5.220
  447   3HG2  ILE  46           2HG      ILE  46  -3.887  -4.623   6.621
  448   1HD1  ILE  46           3HD      ILE  46  -5.749  -0.324   5.741
  449   2HD1  ILE  46           1HD      ILE  46  -6.614  -0.451   4.216
  450   3HD1  ILE  46           2HD      ILE  46  -7.267  -1.200   5.667
  451    QG1  ILE  46           QG1      ILE  46  -5.460  -2.451   4.233
  452    QG2  ILE  46           QG2      ILE  46  -3.986  -4.383   5.640
  453    QD1  ILE  46           QD1      ILE  46  -6.543  -0.658   5.209
  454    H    LYS  47           HN       LYS  47  -6.487  -5.954   6.297
  455    HA   LYS  47           HA       LYS  47  -5.433  -6.816   8.965
  456   1HB   LYS  47           2HB      LYS  47  -7.438  -8.337   7.250
  457   2HB   LYS  47           3HB      LYS  47  -6.920  -8.760   8.867
  458   1HG   LYS  47           2HG      LYS  47  -8.503  -6.277   8.121
  459   2HG   LYS  47           3HG      LYS  47  -9.155  -7.711   8.902
  460   1HD   LYS  47           2HD      LYS  47  -7.285  -7.255  10.708
  461   2HD   LYS  47           3HD      LYS  47  -7.275  -5.633  10.031
  462   1HE   LYS  47           2HE      LYS  47  -9.675  -7.074  11.205
  463   2HE   LYS  47           3HE      LYS  47  -8.828  -5.704  11.909
  464   1HZ   LYS  47           3HZ      LYS  47  -9.562  -4.981   9.309
  465   2HZ   LYS  47           1HZ      LYS  47 -10.938  -5.681  10.050
  466   3HZ   LYS  47           2HZ      LYS  47 -10.148  -4.359  10.773
  467    QB   LYS  47           QB       LYS  47  -7.179  -8.549   8.059
  468    QG   LYS  47           QG       LYS  47  -8.830  -6.994   8.511
  469    QD   LYS  47           QD       LYS  47  -7.280  -6.444  10.370
  470    QE   LYS  47           QE       LYS  47  -9.252  -6.389  11.557
  471    QZ   LYS  47           QZ       LYS  47 -10.216  -5.007  10.044
  472    HA   PRO  48           HA       PRO  48  -2.746  -9.627   6.554
  473   1HB   PRO  48           2HB      PRO  48  -4.199 -11.832   7.994
  474   2HB   PRO  48           3HB      PRO  48  -2.462 -11.627   7.743
  475   1HG   PRO  48           2HG      PRO  48  -3.578 -11.051  10.149
  476   2HG   PRO  48           3HG      PRO  48  -2.277 -10.038   9.507
  477   1HD   PRO  48           2HD      PRO  48  -5.222  -9.471   9.622
  478   2HD   PRO  48           3HD      PRO  48  -3.860  -8.340   9.751
  479    QB   PRO  48           QB       PRO  48  -3.331 -11.729   7.868
  480    QG   PRO  48           QG       PRO  48  -2.928 -10.544   9.828
  481    QD   PRO  48           QD       PRO  48  -4.541  -8.906   9.686
  482    H    HIS  49           HN       HIS  49  -2.940 -11.015   4.835
  483    HA   HIS  49           HA       HIS  49  -4.010 -11.278   2.719
  484   1HB   HIS  49           2HB      HIS  49  -5.306 -13.434   2.913
  485   2HB   HIS  49           3HB      HIS  49  -3.684 -13.448   3.553
  486    HD1  HIS  49           HD1      HIS  49  -7.029 -12.588   4.978
  487    HD2  HIS  49           HD2      HIS  49  -3.710 -14.787   6.027
  488    HE1  HIS  49           HE1      HIS  49  -7.473 -13.505   7.282
  489    QB   HIS  49           QB       HIS  49  -4.495 -13.441   3.233
  490    H    SER  50           HN       SER  50  -5.270  -9.102   3.360
  491    HA   SER  50           HA       SER  50  -8.194  -9.678   3.012
  492   1HB   SER  50           2HB      SER  50  -8.430  -7.255   3.871
  493   2HB   SER  50           3HB      SER  50  -7.821  -8.424   5.061
  494    HG   SER  50           HG       SER  50  -5.857  -7.597   4.906
  495    QB   SER  50           QB       SER  50  -8.125  -7.839   4.466
  496    H    THR  51           HN       THR  51  -5.938  -7.065   2.350
  497    HA   THR  51           HA       THR  51  -5.132  -6.636   0.005
  498    HB   THR  51           HB       THR  51  -8.106  -6.910  -0.670
  499    HG1  THR  51          1HG       THR  51  -7.105  -8.847  -0.707
  500   1HG2  THR  51           3HG      THR  51  -5.724  -6.156  -2.440
  501   2HG2  THR  51           1HG      THR  51  -7.361  -6.469  -3.004
  502   3HG2  THR  51           2HG      THR  51  -7.035  -5.052  -2.015
  503    QG2  THR  51           QG2      THR  51  -6.706  -5.892  -2.487
  504    H    VAL  52           HN       VAL  52  -5.193  -4.588  -1.010
  505    HA   VAL  52           HA       VAL  52  -6.853  -2.467   0.223
  506    HB   VAL  52           HB       VAL  52  -3.870  -2.066   0.000
  507   1HG1  VAL  52           3HG      VAL  52  -5.340  -0.097   0.218
  508   2HG1  VAL  52           1HG      VAL  52  -6.022  -0.762   1.699
  509   3HG1  VAL  52           2HG      VAL  52  -4.330  -0.285   1.649
  510   1HG2  VAL  52           3HG      VAL  52  -5.324  -3.169   2.415
  511   2HG2  VAL  52           1HG      VAL  52  -4.069  -3.979   1.490
  512   3HG2  VAL  52           2HG      VAL  52  -3.674  -2.553   2.441
  513    QG1  VAL  52           QG1      VAL  52  -5.231  -0.381   1.189
  514    QG2  VAL  52           QG2      VAL  52  -4.356  -3.234   2.116
  515    QQG  VAL  52           QQG      VAL  52  -4.793  -1.808   1.652
  516    H    ASP  53           HN       ASP  53  -7.396  -0.942  -1.314
  517    HA   ASP  53           HA       ASP  53  -5.706  -0.912  -3.806
  518   1HB   ASP  53           2HB      ASP  53  -8.716  -0.654  -3.569
  519   2HB   ASP  53           3HB      ASP  53  -7.817  -0.282  -5.032
  520    QB   ASP  53           QB       ASP  53  -8.266  -0.468  -4.300
  521    H    PHE  54           HN       PHE  54  -4.755   0.951  -4.064
  522    HA   PHE  54           HA       PHE  54  -6.137   3.408  -3.112
  523   1HB   PHE  54           2HB      PHE  54  -3.606   4.288  -3.101
  524   2HB   PHE  54           3HB      PHE  54  -4.326   3.546  -1.693
  525    HD1  PHE  54          1HD       PHE  54  -3.165   1.667  -4.724
  526    HD2  PHE  54          2HD       PHE  54  -2.353   2.776  -0.697
  527    HE1  PHE  54          1HE       PHE  54  -1.293   0.078  -4.639
  528    HE2  PHE  54          2HE       PHE  54  -0.449   1.237  -0.650
  529    HZ   PHE  54           HZ       PHE  54   0.137  -0.033  -2.661
  530    QB   PHE  54           QB       PHE  54  -3.965   3.917  -2.396
  531    QR   PHE  54           QR       PHE  54  -1.816   1.440  -2.678
  532    NH1  ARG  55           NH1      ARG  55  -6.297   9.736 -10.466
  533    NH2  ARG  55           NH2      ARG  55  -4.019   9.781 -10.627
  534    H    ARG  55           HN       ARG  55  -5.249   5.382  -4.301
  535    HA   ARG  55           HA       ARG  55  -5.213   4.631  -7.203
  536   1HB   ARG  55           2HB      ARG  55  -7.205   5.858  -6.299
  537   2HB   ARG  55           3HB      ARG  55  -6.154   7.203  -5.879
  538   1HG   ARG  55           2HG      ARG  55  -6.175   6.138  -8.701
  539   2HG   ARG  55           3HG      ARG  55  -7.443   7.231  -8.170
  540   1HD   ARG  55           2HD      ARG  55  -6.023   9.024  -7.958
  541   2HD   ARG  55           3HD      ARG  55  -4.632   8.041  -7.537
  542    HE   ARG  55           HE       ARG  55  -4.654   7.324 -10.013
  543   1HH1  ARG  55           2HH      ARG  55  -7.107   9.248 -10.148
  544   2HH1  ARG  55           1HH      ARG  55  -6.396  10.611 -10.960
  545   1HH2  ARG  55           2HH      ARG  55  -3.147   9.327 -10.429
  546   2HH2  ARG  55           1HH      ARG  55  -4.037  10.647 -11.141
  547    QB   ARG  55           QB       ARG  55  -6.680   6.531  -6.089
  548    QG   ARG  55           QG       ARG  55  -6.809   6.685  -8.435
  549    QD   ARG  55           QD       ARG  55  -5.328   8.532  -7.748
  550    QH1  ARG  55           QH1      ARG  55  -6.752   9.929 -10.554
  551    QH2  ARG  55           QH2      ARG  55  -3.592   9.987 -10.784
  552    H    VAL  56           HN       VAL  56  -3.521   5.369  -8.489
  553    HA   VAL  56           HA       VAL  56  -1.587   7.254  -7.271
  554    HB   VAL  56           HB       VAL  56   0.092   5.828  -8.440
  555   1HG1  VAL  56           1HG      VAL  56  -1.676   4.422  -6.422
  556   2HG1  VAL  56           2HG      VAL  56  -0.024   3.957  -6.798
  557   3HG1  VAL  56           3HG      VAL  56  -0.346   5.509  -6.044
  558   1HG2  VAL  56           2HG      VAL  56  -1.393   4.837 -10.137
  559   2HG2  VAL  56           3HG      VAL  56  -0.575   3.585  -9.211
  560   3HG2  VAL  56           1HG      VAL  56  -2.255   3.970  -8.872
  561    QG1  VAL  56           QG1      VAL  56  -0.682   4.629  -6.422
  562    QG2  VAL  56           QG2      VAL  56  -1.407   4.130  -9.407
  563    QQG  VAL  56           QQG      VAL  56  -1.045   4.380  -7.914
  564    H    LYS  57           HN       LYS  57   0.004   7.953  -9.087
  565    HA   LYS  57           HA       LYS  57  -1.581   8.811 -11.498
  566   1HB   LYS  57           2HB      LYS  57  -0.187  10.338  -9.603
  567   2HB   LYS  57           3HB      LYS  57   0.932  10.249 -10.946
  568   1HG   LYS  57           2HG      LYS  57  -1.977  11.047 -11.320
  569   2HG   LYS  57           3HG      LYS  57  -0.743  12.228 -10.938
  570   1HD   LYS  57           2HD      LYS  57   0.101  10.521 -13.157
  571   2HD   LYS  57           3HD      LYS  57  -1.445  11.264 -13.500
  572   1HE   LYS  57           2HE      LYS  57   0.568  12.616 -14.234
  573   2HE   LYS  57           3HE      LYS  57  -0.544  13.478 -13.178
  574   1HZ   LYS  57           3HZ      LYS  57   1.329  12.137 -11.590
  575   2HZ   LYS  57           1HZ      LYS  57   2.187  12.987 -12.799
  576   3HZ   LYS  57           2HZ      LYS  57   1.105  13.809 -11.773
  577    QB   LYS  57           QB       LYS  57   0.372  10.293 -10.274
  578    QG   LYS  57           QG       LYS  57  -1.359  11.637 -11.129
  579    QD   LYS  57           QD       LYS  57  -0.672  10.892 -13.329
  580    QE   LYS  57           QE       LYS  57   0.012  13.047 -13.707
  581    QZ   LYS  57           QZ       LYS  57   1.540  12.978 -12.053
  582    H    ALA  58           HN       ALA  58   0.692   6.658 -10.522
  583    HA   ALA  58           HA       ALA  58   1.993   5.136 -11.745
  584   1HB   ALA  58           1HB      ALA  58   0.437   5.398 -13.652
  585   2HB   ALA  58           2HB      ALA  58   1.329   6.812 -14.196
  586   3HB   ALA  58           3HB      ALA  58   2.105   5.237 -14.193
  587    QB   ALA  58           QB       ALA  58   1.290   5.816 -14.014
  588    H    GLU  59           HN       GLU  59   2.506   8.481 -12.937
  589    HA   GLU  59           HA       GLU  59   5.388   8.093 -13.072
  590   1HB   GLU  59           2HB      GLU  59   5.319  10.760 -13.083
  591   2HB   GLU  59           3HB      GLU  59   4.871   9.846 -14.505
  592   1HG   GLU  59           2HG      GLU  59   2.447   9.998 -13.726
  593   2HG   GLU  59           3HG      GLU  59   3.006  11.085 -12.461
  594    QB   GLU  59           QB       GLU  59   5.095  10.302 -13.794
  595    QG   GLU  59           QG       GLU  59   2.726  10.541 -13.093
  596    H    ASP  60           HN       ASP  60   3.399   8.252 -10.515
  597    HA   ASP  60           HA       ASP  60   5.297   9.666  -8.705
  598   1HB   ASP  60           2HB      ASP  60   3.496   9.441  -7.024
  599   2HB   ASP  60           3HB      ASP  60   2.815  10.121  -8.495
  600    QB   ASP  60           QB       ASP  60   3.155   9.781  -7.760
  601    H    ILE  61           HN       ILE  61   3.570   6.699  -9.188
  602    HA   ILE  61           HA       ILE  61   4.174   4.894  -7.393
  603    HB   ILE  61           HB       ILE  61   3.582   4.787 -10.097
  604   1HG1  ILE  61           2HG      ILE  61   3.210   2.317  -9.592
  605   2HG1  ILE  61           3HG      ILE  61   3.942   2.619  -8.022
  606   1HG2  ILE  61           1HG      ILE  61   6.019   3.032  -9.644
  607   2HG2  ILE  61           2HG      ILE  61   4.953   2.975 -11.041
  608   3HG2  ILE  61           3HG      ILE  61   5.923   4.407 -10.747
  609   1HD1  ILE  61           2HD      ILE  61   1.530   4.088  -9.149
  610   2HD1  ILE  61           3HD      ILE  61   1.475   2.833  -7.918
  611   3HD1  ILE  61           1HD      ILE  61   2.244   4.375  -7.566
  612    QG1  ILE  61           QG1      ILE  61   3.576   2.468  -8.807
  613    QG2  ILE  61           QG2      ILE  61   5.632   3.471 -10.478
  614    QD1  ILE  61           QD1      ILE  61   1.750   3.766  -8.212
  615    H    LEU  62           HN       LEU  62   6.749   5.964  -9.590
  616    HA   LEU  62           HA       LEU  62   8.835   4.328  -8.954
  617   1HB   LEU  62           2HB      LEU  62   8.681   7.268  -9.420
  618   2HB   LEU  62           3HB      LEU  62  10.185   6.673  -8.729
  619    HG   LEU  62           HG       LEU  62  10.184   4.902 -10.592
  620   1HD1  LEU  62           1HD      LEU  62   8.111   6.807 -11.755
  621   2HD1  LEU  62           2HD      LEU  62   8.881   5.481 -12.623
  622   3HD1  LEU  62           3HD      LEU  62   7.817   5.140 -11.264
  623   1HD2  LEU  62           2HD      LEU  62  10.421   7.835 -11.355
  624   2HD2  LEU  62           3HD      LEU  62  11.687   6.851 -10.625
  625   3HD2  LEU  62           1HD      LEU  62  11.120   6.491 -12.252
  626    QB   LEU  62           QB       LEU  62   9.433   6.971  -9.075
  627    QD1  LEU  62           QD1      LEU  62   8.270   5.809 -11.880
  628    QD2  LEU  62           QD2      LEU  62  11.076   7.059 -11.410
  629    QQD  LEU  62           QQD      LEU  62   9.673   6.434 -11.646
  630    H    ALA  63           HN       ALA  63   7.710   6.914  -6.714
  631    HA   ALA  63           HA       ALA  63   9.644   5.822  -4.727
  632   1HB   ALA  63           2HB      ALA  63   9.542   8.291  -5.045
  633   2HB   ALA  63           3HB      ALA  63   7.836   8.274  -4.604
  634   3HB   ALA  63           1HB      ALA  63   9.055   7.843  -3.409
  635    QB   ALA  63           QB       ALA  63   8.811   8.135  -4.352
  636    H    VAL  64           HN       VAL  64   7.460   4.310  -5.527
  637    HA   VAL  64           HA       VAL  64   6.140   3.806  -2.901
  638    HB   VAL  64           HB       VAL  64   4.669   3.537  -5.565
  639   1HG1  VAL  64           3HG      VAL  64   3.883   2.141  -3.681
  640   2HG1  VAL  64           1HG      VAL  64   3.703   3.584  -2.682
  641   3HG1  VAL  64           2HG      VAL  64   2.688   3.364  -4.105
  642   1HG2  VAL  64           3HG      VAL  64   4.453   5.831  -3.576
  643   2HG2  VAL  64           1HG      VAL  64   5.141   5.946  -5.190
  644   3HG2  VAL  64           2HG      VAL  64   3.425   5.603  -4.990
  645    QG1  VAL  64           QG1      VAL  64   3.424   3.030  -3.490
  646    QG2  VAL  64           QG2      VAL  64   4.340   5.793  -4.586
  647    QQG  VAL  64           QQG      VAL  64   3.883   4.412  -4.038
  648    H    GLU  65           HN       GLU  65   6.624   2.715  -6.229
  649    HA   GLU  65           HA       GLU  65   6.504  -0.064  -5.869
  650   1HB   GLU  65           2HB      GLU  65   7.312   1.653  -7.930
  651   2HB   GLU  65           3HB      GLU  65   8.795   0.804  -7.536
  652   1HG   GLU  65           2HG      GLU  65   7.829  -0.591  -9.163
  653   2HG   GLU  65           3HG      GLU  65   7.298  -1.358  -7.674
  654    QB   GLU  65           QB       GLU  65   8.053   1.228  -7.733
  655    QG   GLU  65           QG       GLU  65   7.564  -0.975  -8.419
  656    H    ASP  66           HN       ASP  66   9.151   2.229  -5.434
  657    HA   ASP  66           HA       ASP  66  11.277   0.648  -4.597
  658   1HB   ASP  66           2HB      ASP  66  11.369   3.068  -4.903
  659   2HB   ASP  66           3HB      ASP  66  10.243   3.333  -3.593
  660    QB   ASP  66           QB       ASP  66  10.807   3.201  -4.248
  661    H    PHE  67           HN       PHE  67   9.150   2.250  -2.268
  662    HA   PHE  67           HA       PHE  67   9.765   0.923   0.081
  663   1HB   PHE  67           2HB      PHE  67   8.043   2.761  -0.224
  664   2HB   PHE  67           3HB      PHE  67   6.929   1.545  -0.835
  665    HD1  PHE  67          2HD       PHE  67   9.295   1.876   2.062
  666    HD2  PHE  67          1HD       PHE  67   5.411   0.702   0.749
  667    HE1  PHE  67          2HE       PHE  67   8.680   1.322   4.366
  668    HE2  PHE  67          1HE       PHE  67   4.819   0.121   3.059
  669    HZ   PHE  67           HZ       PHE  67   6.471   0.389   4.854
  670    QB   PHE  67           QB       PHE  67   7.486   2.154  -0.530
  671    QR   PHE  67           QR       PHE  67   7.051   1.006   2.559
  672    H    LEU  68           HN       LEU  68   7.545  -0.221  -2.412
  673    HA   LEU  68           HA       LEU  68   6.996  -2.697  -0.928
  674   1HB   LEU  68           2HB      LEU  68   6.482  -2.249  -3.871
  675   2HB   LEU  68           3HB      LEU  68   5.653  -3.367  -2.799
  676    HG   LEU  68           HG       LEU  68   5.485  -0.333  -2.778
  677   1HD1  LEU  68           3HD      LEU  68   4.126  -1.506  -4.456
  678   2HD1  LEU  68           1HD      LEU  68   3.431  -2.512  -3.189
  679   3HD1  LEU  68           2HD      LEU  68   3.105  -0.786  -3.218
  680   1HD2  LEU  68           2HD      LEU  68   4.245  -2.297  -0.815
  681   2HD2  LEU  68           3HD      LEU  68   5.513  -1.137  -0.438
  682   3HD2  LEU  68           1HD      LEU  68   3.914  -0.574  -0.886
  683    QB   LEU  68           QB       LEU  68   6.067  -2.808  -3.335
  684    QD1  LEU  68           QD1      LEU  68   3.554  -1.602  -3.621
  685    QD2  LEU  68           QD2      LEU  68   4.557  -1.336  -0.713
  686    QQD  LEU  68           QQD      LEU  68   4.055  -1.469  -2.167
  687    H    GLU  69           HN       GLU  69   9.306  -1.749  -3.349
  688    HA   GLU  69           HA       GLU  69  10.002  -4.341  -4.341
  689   1HB   GLU  69           2HB      GLU  69  11.426  -1.681  -4.176
  690   2HB   GLU  69           3HB      GLU  69  12.307  -3.086  -4.722
  691   1HG   GLU  69           2HG      GLU  69  10.522  -3.454  -6.461
  692   2HG   GLU  69           3HG      GLU  69   9.789  -1.940  -5.957
  693    QB   GLU  69           QB       GLU  69  11.867  -2.383  -4.448
  694    QG   GLU  69           QG       GLU  69  10.156  -2.697  -6.209
  695    H    GLN  70           HN       GLN  70  11.855  -2.324  -2.155
  696    HA   GLN  70           HA       GLN  70  13.774  -4.016  -1.212
  697   1HB   GLN  70           2HB      GLN  70  13.511  -2.790   1.050
  698   2HB   GLN  70           3HB      GLN  70  13.830  -1.810  -0.376
  699   1HG   GLN  70           2HG      GLN  70  11.399  -1.329  -0.582
  700   2HG   GLN  70           3HG      GLN  70  11.081  -2.306   0.835
  701   1HE2  GLN  70           2HE      GLN  70  12.461   1.471   1.263
  702   2HE2  GLN  70           1HE      GLN  70  12.237   0.794  -0.280
  703    QB   GLN  70           QB       GLN  70  13.671  -2.300   0.337
  704    QG   GLN  70           QG       GLN  70  11.240  -1.818   0.126
  705    QE2  GLN  70           QE2      GLN  70  12.349   1.132   0.492
  706    H    ASN  71           HN       ASN  71  10.493  -3.930   0.151
  707    HA   ASN  71           HA       ASN  71  11.137  -6.434   1.622
  708   1HB   ASN  71           2HB      ASN  71   8.835  -4.550   2.193
  709   2HB   ASN  71           3HB      ASN  71   9.571  -5.725   3.254
  710   1HD2  ASN  71           2HD      ASN  71  10.973  -2.027   3.387
  711   2HD2  ASN  71           1HD      ASN  71   9.413  -2.453   2.872
  712    QB   ASN  71           QB       ASN  71   9.203  -5.137   2.723
  713    QD2  ASN  71           QD2      ASN  71  10.194  -2.240   3.130
  714    H    GLU  72           HN       GLU  72  10.371  -6.340  -1.166
  715    HA   GLU  72           HA       GLU  72   8.494  -6.865  -2.610
  716   1HB   GLU  72           2HB      GLU  72  10.030  -8.739  -2.459
  717   2HB   GLU  72           3HB      GLU  72   9.271  -9.293  -0.981
  718   1HG   GLU  72           2HG      GLU  72   8.658 -10.579  -3.094
  719   2HG   GLU  72           3HG      GLU  72   7.306 -10.027  -2.133
  720    QB   GLU  72           QB       GLU  72   9.651  -9.016  -1.720
  721    QG   GLU  72           QG       GLU  72   7.982 -10.303  -2.614
  722    H    LEU  73           HN       LEU  73   7.079  -5.444  -1.136
  723    HA   LEU  73           HA       LEU  73   5.079  -6.892   0.430
  724   1HB   LEU  73           2HB      LEU  73   5.138  -4.006  -0.504
  725   2HB   LEU  73           3HB      LEU  73   4.102  -4.659   0.738
  726    HG   LEU  73           HG       LEU  73   7.127  -4.722   0.930
  727   1HD1  LEU  73           2HD      LEU  73   5.184  -2.717   2.135
  728   2HD1  LEU  73           3HD      LEU  73   6.908  -2.801   2.460
  729   3HD1  LEU  73           1HD      LEU  73   6.344  -2.374   0.866
  730   1HD2  LEU  73           1HD      LEU  73   5.883  -6.325   2.383
  731   2HD2  LEU  73           2HD      LEU  73   6.714  -5.084   3.308
  732   3HD2  LEU  73           3HD      LEU  73   4.973  -4.976   3.057
  733    QB   LEU  73           QB       LEU  73   4.620  -4.332   0.117
  734    QD1  LEU  73           QD1      LEU  73   6.145  -2.630   1.821
  735    QD2  LEU  73           QD2      LEU  73   5.857  -5.461   2.916
  736    QQD  LEU  73           QQD      LEU  73   6.001  -4.046   2.369
  737    H    GLN  74           HN       GLN  74   4.923  -8.173  -1.656
  738    HA   GLN  74           HA       GLN  74   3.974  -8.282  -3.964
  739   1HB   GLN  74           2HB      GLN  74   2.188  -9.030  -1.650
  740   2HB   GLN  74           3HB      GLN  74   1.735  -9.415  -3.304
  741   1HG   GLN  74           2HG      GLN  74   4.385 -10.219  -2.052
  742   2HG   GLN  74           3HG      GLN  74   2.973 -11.267  -2.092
  743   1HE2  GLN  74           2HE      GLN  74   5.229 -10.838  -5.408
  744   2HE2  GLN  74           1HE      GLN  74   5.636 -10.061  -3.957
  745    QB   GLN  74           QB       GLN  74   1.962  -9.222  -2.477
  746    QG   GLN  74           QG       GLN  74   3.680 -10.743  -2.073
  747    QE2  GLN  74           QE2      GLN  74   5.433 -10.450  -4.682
  748    OH   TYR  75           OH       TYR  75   6.067  -3.630  -9.650
  749    H    TYR  75           HN       TYR  75   3.313  -6.716  -5.347
  750    HA   TYR  75           HA       TYR  75   0.785  -5.288  -4.638
  751   1HB   TYR  75           2HB      TYR  75   1.650  -3.214  -5.464
  752   2HB   TYR  75           3HB      TYR  75   2.904  -3.883  -4.442
  753    HD1  TYR  75           HD1      TYR  75   4.940  -4.885  -5.449
  754    HD2  TYR  75           HD2      TYR  75   1.972  -2.998  -7.856
  755    HE1  TYR  75           HE1      TYR  75   6.548  -4.697  -7.291
  756    HE2  TYR  75           HE2      TYR  75   3.574  -2.839  -9.696
  757    HH   TYR  75           HH       TYR  75   6.102  -2.677  -9.862
  758    QB   TYR  75           QB       TYR  75   2.277  -3.549  -4.953
  759    QR   TYR  75           QR       TYR  75   4.259  -3.854  -7.572
  760    H    GLU  76           HN       GLU  76  -0.113  -4.162  -6.722
  761    HA   GLU  76           HA       GLU  76   0.230  -5.981  -9.066
  762   1HB   GLU  76           2HB      GLU  76  -2.459  -5.285  -7.815
  763   2HB   GLU  76           3HB      GLU  76  -2.241  -6.191  -9.295
  764   1HG   GLU  76           2HG      GLU  76  -1.101  -7.987  -8.084
  765   2HG   GLU  76           3HG      GLU  76  -1.171  -7.071  -6.586
  766    QB   GLU  76           QB       GLU  76  -2.350  -5.738  -8.556
  767    QG   GLU  76           QG       GLU  76  -1.136  -7.529  -7.334
  768    H    VAL  77           HN       VAL  77  -0.150  -4.938 -11.050
  769    HA   VAL  77           HA       VAL  77  -0.542  -2.002 -10.868
  770    HB   VAL  77           HB       VAL  77   0.379  -3.657 -13.247
  771   1HG1  VAL  77           2HG      VAL  77   0.638  -0.686 -12.652
  772   2HG1  VAL  77           3HG      VAL  77   1.302  -1.504 -14.063
  773   3HG1  VAL  77           1HG      VAL  77  -0.439  -1.401 -13.844
  774   1HG2  VAL  77           3HG      VAL  77   1.939  -3.928 -11.338
  775   2HG2  VAL  77           1HG      VAL  77   2.681  -2.996 -12.635
  776   3HG2  VAL  77           2HG      VAL  77   2.070  -2.179 -11.201
  777    QG1  VAL  77           QG1      VAL  77   0.501  -1.197 -13.520
  778    QG2  VAL  77           QG2      VAL  77   2.230  -3.035 -11.724
  779    QQG  VAL  77           QQG      VAL  77   1.366  -2.116 -12.622
  780    H    LEU  78           HN       LEU  78  -2.221  -4.609 -11.278
  781    HA   LEU  78           HA       LEU  78  -4.326  -5.236 -12.054
  782   1HB   LEU  78           2HB      LEU  78  -4.709  -2.223 -12.257
  783   2HB   LEU  78           3HB      LEU  78  -5.993  -3.414 -12.293
  784    HG   LEU  78           HG       LEU  78  -5.109  -4.171  -9.973
  785   1HD1  LEU  78           3HD      LEU  78  -3.780  -1.446 -10.212
  786   2HD1  LEU  78           1HD      LEU  78  -3.979  -2.335  -8.705
  787   3HD1  LEU  78           2HD      LEU  78  -2.967  -2.985  -9.971
  788   1HD2  LEU  78           1HD      LEU  78  -6.335  -1.418 -10.350
  789   2HD2  LEU  78           2HD      LEU  78  -7.224  -2.932 -10.296
  790   3HD2  LEU  78           3HD      LEU  78  -6.388  -2.341  -8.861
  791    QB   LEU  78           QB       LEU  78  -5.351  -2.818 -12.275
  792    QD1  LEU  78           QD1      LEU  78  -3.575  -2.255  -9.629
  793    QD2  LEU  78           QD2      LEU  78  -6.649  -2.230  -9.836
  794    QQD  LEU  78           QQD      LEU  78  -5.112  -2.243  -9.733
  795    H    ILE  79           HN       ILE  79  -3.718  -2.340 -14.012
  796    HA   ILE  79           HA       ILE  79  -4.209  -4.038 -16.436
  797    HB   ILE  79           HB       ILE  79  -4.837  -1.076 -16.160
  798   1HG1  ILE  79           2HG      ILE  79  -6.739  -3.458 -16.136
  799   2HG1  ILE  79           3HG      ILE  79  -6.259  -2.582 -14.690
  800   1HG2  ILE  79           3HG      ILE  79  -4.378  -1.876 -18.469
  801   2HG2  ILE  79           1HG      ILE  79  -5.571  -3.154 -18.267
  802   3HG2  ILE  79           2HG      ILE  79  -6.074  -1.469 -18.277
  803   1HD1  ILE  79           2HD      ILE  79  -7.204  -0.491 -15.649
  804   2HD1  ILE  79           3HD      ILE  79  -7.710  -1.385 -17.081
  805   3HD1  ILE  79           1HD      ILE  79  -8.422  -1.752 -15.518
  806    QG1  ILE  79           QG1      ILE  79  -6.499  -3.020 -15.413
  807    QG2  ILE  79           QG2      ILE  79  -5.341  -2.166 -18.337
  808    QD1  ILE  79           QD1      ILE  79  -7.779  -1.209 -16.083
  809    H    ASN  80           HN       ASN  80  -2.016  -4.470 -16.575
  810    HA   ASN  80           HA       ASN  80  -0.300  -2.176 -17.457
  811   1HB   ASN  80           2HB      ASN  80   0.398  -3.431 -15.344
  812   2HB   ASN  80           3HB      ASN  80   0.623  -4.857 -16.350
  813   1HD2  ASN  80           2HD      ASN  80   3.458  -3.369 -18.086
  814   2HD2  ASN  80           1HD      ASN  80   2.081  -4.304 -18.424
  815    QB   ASN  80           QB       ASN  80   0.510  -4.144 -15.847
  816    QD2  ASN  80           QD2      ASN  80   2.769  -3.837 -18.254
  817    H    ASN  81           HN       ASN  81  -1.561  -2.648 -19.501
  818    HA   ASN  81           HA       ASN  81  -0.202  -4.831 -21.028
  819   1HB   ASN  81           2HB      ASN  81  -2.328  -4.970 -22.401
  820   2HB   ASN  81           3HB      ASN  81  -2.487  -5.551 -20.749
  821   1HD2  ASN  81                 ASN  81  -4.337  -2.049 -21.802
  822   2HD2  ASN  81           1HD      ASN  81  -2.991  -2.576 -22.699
  823    QB   ASN  81           QB       ASN  81  -2.408  -5.260 -21.574
  824    QD2  ASN  81           QD2      ASN  81  -3.664  -2.313 -22.250
   
  Start of MODEL           8
 Raw file had 824 H/Q atoms
  Start of MODEL    8
    1   1H    HIS   1           HN1      HIS   1   9.166   4.071 -15.346
    2   2H    HIS   1           HN2      HIS   1   7.916   3.094 -15.822
    3   3H    HIS   1           HN3      HIS   1   7.653   4.295 -14.712
    4    HA   HIS   1           HA       HIS   1   8.043   2.902 -13.074
    5   1HB   HIS   1           2HB      HIS   1   7.278   1.120 -14.539
    6   2HB   HIS   1           3HB      HIS   1   8.796   1.068 -15.374
    7    HD1  HIS   1           HD1      HIS   1   7.860   0.769 -11.767
    8    HD2  HIS   1           HD2      HIS   1  10.103  -1.250 -14.570
    9    HE1  HIS   1           HE1      HIS   1   8.973  -1.132 -10.560
   10    QB   HIS   1           QB       HIS   1   8.036   1.094 -14.957
   11    H    HIS   2           HN       HIS   2  10.187   1.163 -12.517
   12    HA   HIS   2           HA       HIS   2  12.327   2.920 -11.961
   13   1HB   HIS   2           2HB      HIS   2  11.718   0.502 -11.097
   14   2HB   HIS   2           3HB      HIS   2  12.761  -0.028 -12.388
   15    HD1  HIS   2           HD1      HIS   2  13.484  -0.572  -9.564
   16    HD2  HIS   2           HD2      HIS   2  14.896   2.762 -11.511
   17    HE1  HIS   2           HE1      HIS   2  15.571   0.146  -8.331
   18    QB   HIS   2           QB       HIS   2  12.239   0.237 -11.743
   19    H    SER   3           HN       SER   3  11.368   1.704 -14.909
   20    HA   SER   3           HA       SER   3  14.045   1.750 -16.150
   21   1HB   SER   3           2HB      SER   3  12.305   1.211 -18.194
   22   2HB   SER   3           3HB      SER   3  12.886  -0.049 -17.091
   23    HG   SER   3           HG       SER   3  10.418   1.333 -17.120
   24    QB   SER   3           QB       SER   3  12.595   0.581 -17.643
   25    H    GLY   4           HN       GLY   4  14.382   3.024 -18.096
   26   1HA   GLY   4           1HA      GLY   4  13.110   5.694 -17.882
   27   2HA   GLY   4           2HA      GLY   4  14.601   5.339 -18.748
   28    QA   GLY   4           QA       GLY   4  13.855   5.516 -18.315
   29    H    GLU   5           HN       GLU   5  11.144   4.684 -18.788
   30    HA   GLU   5           HA       GLU   5  11.236   4.569 -21.778
   31   1HB   GLU   5           2HB      GLU   5   8.781   3.455 -20.856
   32   2HB   GLU   5           3HB      GLU   5  10.133   2.582 -21.550
   33   1HG   GLU   5           2HG      GLU   5   9.741   1.525 -19.465
   34   2HG   GLU   5           3HG      GLU   5  11.129   2.552 -19.177
   35    QB   GLU   5           QB       GLU   5   9.457   3.018 -21.203
   36    QG   GLU   5           QG       GLU   5  10.436   2.038 -19.321
   37    H    HIS   6           HN       HIS   6   8.372   4.819 -21.995
   38    HA   HIS   6           HA       HIS   6   8.182   7.723 -21.528
   39   1HB   HIS   6           2HB      HIS   6   5.898   7.382 -22.611
   40   2HB   HIS   6           3HB      HIS   6   7.280   7.026 -23.613
   41    HD1  HIS   6           HD1      HIS   6   5.183   5.065 -21.232
   42    HD2  HIS   6           HD2      HIS   6   6.860   4.604 -24.957
   43    HE1  HIS   6           HE1      HIS   6   4.517   2.769 -22.036
   44    QB   HIS   6           QB       HIS   6   6.589   7.204 -23.111
   45    H    PHE   7           HN       PHE   7   8.561   6.774 -19.255
   46    HA   PHE   7           HA       PHE   7   7.494   5.704 -17.292
   47   1HB   PHE   7           2HB      PHE   7   7.382   8.707 -17.468
   48   2HB   PHE   7           3HB      PHE   7   7.092   7.829 -15.968
   49    HD1  PHE   7          1HD       PHE   7   9.609   8.611 -18.566
   50    HD2  PHE   7          2HD       PHE   7   8.918   6.601 -14.874
   51    HE1  PHE   7          1HE       PHE   7  12.023   8.299 -18.278
   52    HE2  PHE   7          2HE       PHE   7  11.336   6.259 -14.609
   53    HZ   PHE   7           HZ       PHE   7  12.894   7.156 -16.279
   54    QB   PHE   7           QB       PHE   7   7.237   8.268 -16.718
   55    QR   PHE   7           QR       PHE   7  10.471   7.442 -16.581
   56    H    GLU   8           HN       GLU   8   5.758   4.548 -17.893
   57    HA   GLU   8           HA       GLU   8   3.315   4.629 -18.684
   58   1HB   GLU   8           2HB      GLU   8   3.819   3.900 -15.787
   59   2HB   GLU   8           3HB      GLU   8   2.564   3.240 -16.824
   60   1HG   GLU   8           2HG      GLU   8   3.982   1.698 -17.723
   61   2HG   GLU   8           3HG      GLU   8   5.209   2.900 -18.053
   62    QB   GLU   8           QB       GLU   8   3.192   3.570 -16.306
   63    QG   GLU   8           QG       GLU   8   4.596   2.299 -17.888
   64    H    GLY   9           HN       GLY   9   2.733   6.915 -18.857
   65   1HA   GLY   9           1HA      GLY   9   2.085   8.994 -17.530
   66   2HA   GLY   9           2HA      GLY   9   0.706   8.186 -18.252
   67    QA   GLY   9           QA       GLY   9   1.395   8.590 -17.892
   68    H    GLU  10           HN       GLU  10  -0.379   6.534 -16.831
   69    HA   GLU  10           HA       GLU  10  -0.259   7.304 -13.950
   70   1HB   GLU  10           2HB      GLU  10  -2.695   7.218 -13.837
   71   2HB   GLU  10           3HB      GLU  10  -2.228   8.358 -15.086
   72   1HG   GLU  10           2HG      GLU  10  -3.315   7.170 -16.683
   73   2HG   GLU  10           3HG      GLU  10  -2.513   5.676 -16.221
   74    QB   GLU  10           QB       GLU  10  -2.462   7.788 -14.461
   75    QG   GLU  10           QG       GLU  10  -2.913   6.423 -16.452
   76    H    LYS  11           HN       LYS  11  -1.361   5.603 -12.577
   77    HA   LYS  11           HA       LYS  11  -1.506   2.914 -13.757
   78   1HB   LYS  11           2HB      LYS  11   0.684   3.775 -11.886
   79   2HB   LYS  11           3HB      LYS  11   0.047   2.141 -11.750
   80   1HG   LYS  11           2HG      LYS  11   0.442   1.936 -14.282
   81   2HG   LYS  11           3HG      LYS  11   1.389   3.418 -14.139
   82   1HD   LYS  11           2HD      LYS  11   2.713   2.295 -12.289
   83   2HD   LYS  11           3HD      LYS  11   1.866   0.793 -12.662
   84   1HE   LYS  11           2HE      LYS  11   2.861   0.606 -14.781
   85   2HE   LYS  11           3HE      LYS  11   3.253   2.310 -14.843
   86   1HZ   LYS  11           1HZ      LYS  11   4.531   1.035 -12.624
   87   2HZ   LYS  11           2HZ      LYS  11   4.931   0.299 -14.116
   88   3HZ   LYS  11           3HZ      LYS  11   5.198   1.952 -13.893
   89    QB   LYS  11           QB       LYS  11   0.365   2.958 -11.818
   90    QG   LYS  11           QG       LYS  11   0.915   2.678 -14.210
   91    QD   LYS  11           QD       LYS  11   2.290   1.545 -12.476
   92    QE   LYS  11           QE       LYS  11   3.056   1.459 -14.812
   93    QZ   LYS  11           QZ       LYS  11   4.886   1.095 -13.545
   94    H    VAL  12           HN       VAL  12  -1.978   1.271 -12.138
   95    HA   VAL  12           HA       VAL  12  -3.457   2.237  -9.753
   96    HB   VAL  12           HB       VAL  12  -5.164   1.873 -11.455
   97   1HG1  VAL  12           3HG      VAL  12  -3.841  -0.830 -11.926
   98   2HG1  VAL  12           1HG      VAL  12  -5.348  -0.301 -12.663
   99   3HG1  VAL  12           2HG      VAL  12  -3.848   0.533 -13.040
  100   1HG2  VAL  12           2HG      VAL  12  -4.991  -0.544  -9.626
  101   2HG2  VAL  12           3HG      VAL  12  -5.710   1.004  -9.215
  102   3HG2  VAL  12           1HG      VAL  12  -6.442  -0.008 -10.461
  103    QG1  VAL  12           QG1      VAL  12  -4.346  -0.199 -12.542
  104    QG2  VAL  12           QG2      VAL  12  -5.714   0.150  -9.767
  105    QQG  VAL  12           QQG      VAL  12  -5.030  -0.025 -11.155
  106    H    PHE  13           HN       PHE  13  -3.216   0.742  -7.974
  107    HA   PHE  13           HA       PHE  13  -1.677  -1.725  -8.591
  108   1HB   PHE  13           2HB      PHE  13  -0.792   0.374  -6.575
  109   2HB   PHE  13           3HB      PHE  13  -0.178  -1.269  -6.590
  110    HD1  PHE  13          1HD       PHE  13  -0.453   1.782  -8.702
  111    HD2  PHE  13          2HD       PHE  13   1.625  -1.872  -8.043
  112    HE1  PHE  13          1HE       PHE  13   1.348   2.546 -10.181
  113    HE2  PHE  13          2HE       PHE  13   3.420  -1.119  -9.554
  114    HZ   PHE  13           HZ       PHE  13   3.284   1.102 -10.601
  115    QB   PHE  13           QB       PHE  13  -0.485  -0.448  -6.583
  116    QR   PHE  13           QR       PHE  13   1.485   0.334  -9.120
  117    NH1  ARG  14           NH2      ARG  14  -7.158  -3.604  -4.821
  118    NH2  ARG  14           NH1      ARG  14  -7.081  -3.608  -7.088
  119    H    ARG  14           HN       ARG  14  -1.630  -3.208  -6.856
  120    HA   ARG  14           HA       ARG  14  -3.781  -2.763  -4.825
  121   1HB   ARG  14           2HB      ARG  14  -4.685  -4.172  -6.663
  122   2HB   ARG  14           3HB      ARG  14  -3.336  -5.283  -6.465
  123   1HG   ARG  14           2HG      ARG  14  -4.036  -5.924  -4.264
  124   2HG   ARG  14           3HG      ARG  14  -5.212  -4.624  -4.181
  125   1HD   ARG  14           2HD      ARG  14  -5.352  -6.806  -6.280
  126   2HD   ARG  14           3HD      ARG  14  -6.096  -6.999  -4.707
  127    HE   ARG  14           HE       ARG  14  -7.767  -6.059  -6.294
  128   1HH1  ARG  14           2HH      ARG  14  -7.080  -4.109  -3.960
  129   2HH1  ARG  14           1HH      ARG  14  -7.268  -2.608  -4.815
  130   1HH2  ARG  14           2HH      ARG  14  -6.956  -4.128  -7.934
  131   2HH2  ARG  14           1HH      ARG  14  -7.181  -2.604  -7.120
  132    QB   ARG  14           QB       ARG  14  -4.010  -4.727  -6.565
  133    QG   ARG  14           QG       ARG  14  -4.624  -5.274  -4.222
  134    QD   ARG  14           QD       ARG  14  -5.723  -6.902  -5.494
  135    QH1  ARG  14           QH2      ARG  14  -7.174  -3.359  -4.387
  136    QH2  ARG  14           QH1      ARG  14  -7.068  -3.367  -7.528
  137    H    VAL  15           HN       VAL  15  -3.355  -3.615  -2.836
  138    HA   VAL  15           HA       VAL  15  -0.676  -4.924  -2.463
  139    HB   VAL  15           HB       VAL  15  -2.273  -3.166  -0.546
  140   1HG1  VAL  15           1HG      VAL  15   0.474  -4.457  -0.241
  141   2HG1  VAL  15           2HG      VAL  15  -0.217  -3.286   0.879
  142   3HG1  VAL  15           3HG      VAL  15  -0.969  -4.864   0.685
  143   1HG2  VAL  15           3HG      VAL  15  -1.227  -1.924  -2.425
  144   2HG2  VAL  15           1HG      VAL  15  -0.429  -1.543  -0.902
  145   3HG2  VAL  15           2HG      VAL  15   0.326  -2.653  -2.041
  146    QG1  VAL  15           QG1      VAL  15  -0.237  -4.202   0.441
  147    QG2  VAL  15           QG2      VAL  15  -0.443  -2.040  -1.789
  148    QQG  VAL  15           QQG      VAL  15  -0.340  -3.121  -0.674
  149    H    ASN  16           HN       ASN  16  -0.685  -6.851  -1.407
  150    HA   ASN  16           HA       ASN  16  -3.372  -7.946  -0.681
  151   1HB   ASN  16           2HB      ASN  16  -1.859  -9.020  -2.525
  152   2HB   ASN  16           3HB      ASN  16  -0.851  -9.560  -1.180
  153   1HD2  ASN  16           2HD      ASN  16  -4.029 -11.710  -2.054
  154   2HD2  ASN  16           1HD      ASN  16  -3.307 -10.613  -3.130
  155    QB   ASN  16           QB       ASN  16  -1.354  -9.290  -1.852
  156    QD2  ASN  16           QD2      ASN  16  -3.668 -11.161  -2.592
  157    H    VAL  17           HN       VAL  17  -3.309  -9.353   1.329
  158    HA   VAL  17           HA       VAL  17  -1.118  -8.411   3.145
  159    HB   VAL  17           HB       VAL  17  -3.926  -8.909   4.156
  160   1HG1  VAL  17           1HG      VAL  17  -2.039  -8.837   5.770
  161   2HG1  VAL  17           2HG      VAL  17  -1.564  -7.260   5.147
  162   3HG1  VAL  17           3HG      VAL  17  -3.097  -7.446   5.982
  163   1HG2  VAL  17           3HG      VAL  17  -2.789  -6.248   3.204
  164   2HG2  VAL  17           1HG      VAL  17  -4.098  -7.130   2.428
  165   3HG2  VAL  17           2HG      VAL  17  -4.325  -6.466   4.044
  166    QG1  VAL  17           QG1      VAL  17  -2.234  -7.848   5.633
  167    QG2  VAL  17           QG2      VAL  17  -3.738  -6.615   3.225
  168    QQG  VAL  17           QQG      VAL  17  -2.985  -7.232   4.429
  169    H    GLU  18           HN       GLU  18   0.019 -10.011   3.905
  170    HA   GLU  18           HA       GLU  18  -1.029 -12.759   3.865
  171   1HB   GLU  18           2HB      GLU  18   1.716 -11.927   4.825
  172   2HB   GLU  18           3HB      GLU  18   1.233 -13.404   4.028
  173   1HG   GLU  18           2HG      GLU  18   1.469 -10.679   2.749
  174   2HG   GLU  18           3HG      GLU  18   2.529 -12.055   2.489
  175    QB   GLU  18           QB       GLU  18   1.474 -12.666   4.426
  176    QG   GLU  18           QG       GLU  18   2.000 -11.367   2.619
  177    H    ASP  19           HN       ASP  19   0.742 -10.644   6.133
  178    HA   ASP  19           HA       ASP  19  -0.882 -11.787   8.343
  179   1HB   ASP  19           2HB      ASP  19   0.978 -12.367   9.714
  180   2HB   ASP  19           3HB      ASP  19   1.419 -12.987   8.138
  181    QB   ASP  19           QB       ASP  19   1.198 -12.677   8.926
  182    H    GLU  20           HN       GLU  20   1.073 -10.283  10.118
  183    HA   GLU  20           HA       GLU  20  -0.323  -7.693   9.830
  184   1HB   GLU  20           2HB      GLU  20  -0.008  -8.899  12.034
  185   2HB   GLU  20           3HB      GLU  20   1.715  -8.618  11.891
  186   1HG   GLU  20           2HG      GLU  20   0.781  -6.897  13.313
  187   2HG   GLU  20           3HG      GLU  20   1.245  -6.141  11.806
  188    QB   GLU  20           QB       GLU  20   0.853  -8.759  11.962
  189    QG   GLU  20           QG       GLU  20   1.013  -6.519  12.559
  190    H    ASN  21           HN       ASN  21   2.716  -9.160   9.171
  191    HA   ASN  21           HA       ASN  21   4.525  -7.040   9.177
  192   1HB   ASN  21           2HB      ASN  21   4.861  -9.490   8.401
  193   2HB   ASN  21           3HB      ASN  21   4.365  -8.927   6.814
  194   1HD2  ASN  21           2HD      ASN  21   7.487  -7.456   6.138
  195   2HD2  ASN  21           1HD      ASN  21   5.954  -7.899   5.559
  196    QB   ASN  21           QB       ASN  21   4.612  -9.208   7.607
  197    QD2  ASN  21           QD2      ASN  21   6.721  -7.678   5.849
  198    H    ASP  22           HN       ASP  22   2.689  -7.922   6.205
  199    HA   ASP  22           HA       ASP  22   3.242  -5.648   4.687
  200   1HB   ASP  22           2HB      ASP  22   1.843  -7.498   3.773
  201   2HB   ASP  22           3HB      ASP  22   0.550  -7.090   4.885
  202    QB   ASP  22           QB       ASP  22   1.196  -7.294   4.329
  203    H    ILE  23           HN       ILE  23   0.485  -6.004   6.894
  204    HA   ILE  23           HA       ILE  23  -0.560  -3.410   6.604
  205    HB   ILE  23           HB       ILE  23  -0.442  -5.027   9.189
  206   1HG1  ILE  23           2HG      ILE  23  -2.478  -5.126   6.927
  207   2HG1  ILE  23           3HG      ILE  23  -1.222  -6.331   7.178
  208   1HG2  ILE  23           2HG      ILE  23  -2.404  -2.945   8.139
  209   2HG2  ILE  23           3HG      ILE  23  -2.612  -3.855   9.631
  210   3HG2  ILE  23           1HG      ILE  23  -1.278  -2.728   9.475
  211   1HD1  ILE  23           2HD      ILE  23  -2.115  -6.798   9.433
  212   2HD1  ILE  23           3HD      ILE  23  -3.406  -5.642   9.133
  213   3HD1  ILE  23           1HD      ILE  23  -3.292  -7.104   8.163
  214    QG1  ILE  23           QG1      ILE  23  -1.850  -5.729   7.052
  215    QG2  ILE  23           QG2      ILE  23  -2.099  -3.176   9.081
  216    QD1  ILE  23           QD1      ILE  23  -2.938  -6.515   8.910
  217    H    SER  24           HN       SER  24   1.856  -4.538   8.867
  218    HA   SER  24           HA       SER  24   2.374  -2.077  10.197
  219   1HB   SER  24           2HB      SER  24   4.232  -4.444   9.660
  220   2HB   SER  24           3HB      SER  24   4.519  -3.175  10.868
  221    HG   SER  24           HG       SER  24   2.453  -5.103  10.733
  222    QB   SER  24           QB       SER  24   4.375  -3.809  10.264
  223    H    GLU  25           HN       GLU  25   3.994  -3.618   7.425
  224    HA   GLU  25           HA       GLU  25   5.861  -1.534   6.895
  225   1HB   GLU  25           2HB      GLU  25   4.593  -3.619   5.054
  226   2HB   GLU  25           3HB      GLU  25   6.014  -2.675   4.657
  227   1HG   GLU  25           2HG      GLU  25   7.217  -3.648   6.597
  228   2HG   GLU  25           3HG      GLU  25   5.790  -4.574   7.024
  229    QB   GLU  25           QB       GLU  25   5.304  -3.146   4.856
  230    QG   GLU  25           QG       GLU  25   6.504  -4.111   6.811
  231    H    LEU  26           HN       LEU  26   2.925  -2.350   5.016
  232    HA   LEU  26           HA       LEU  26   2.715  -0.196   3.379
  233   1HB   LEU  26           2HB      LEU  26   1.193  -2.066   3.218
  234   2HB   LEU  26           3HB      LEU  26   0.611  -1.816   4.859
  235    HG   LEU  26           HG       LEU  26  -0.142   0.452   4.137
  236   1HD1  LEU  26           2HD      LEU  26   0.397  -0.690   1.377
  237   2HD1  LEU  26           3HD      LEU  26  -0.493   0.798   1.682
  238   3HD1  LEU  26           1HD      LEU  26   1.210   0.691   2.105
  239   1HD2  LEU  26           1HD      LEU  26  -1.415  -1.951   2.783
  240   2HD2  LEU  26           2HD      LEU  26  -1.765  -1.366   4.404
  241   3HD2  LEU  26           3HD      LEU  26  -2.217  -0.397   3.007
  242    QB   LEU  26           QB       LEU  26   0.902  -1.942   4.038
  243    QD1  LEU  26           QD1      LEU  26   0.372   0.266   1.721
  244    QD2  LEU  26           QD2      LEU  26  -1.799  -1.238   3.397
  245    QQD  LEU  26           QQD      LEU  26  -0.714  -0.486   2.559
  246    H    HIS  27           HN       HIS  27   1.488  -0.484   6.677
  247    HA   HIS  27           HA       HIS  27   0.204   1.910   7.156
  248   1HB   HIS  27           2HB      HIS  27   1.745   0.051   8.750
  249   2HB   HIS  27           3HB      HIS  27   2.064   1.667   9.294
  250    HD1  HIS  27           HD1      HIS  27   0.251   2.833  10.500
  251    HD2  HIS  27           HD2      HIS  27  -1.063  -0.774   9.052
  252    HE1  HIS  27           HE1      HIS  27  -2.020   2.442  11.523
  253    QB   HIS  27           QB       HIS  27   1.904   0.859   9.021
  254    H    GLU  28           HN       GLU  28   3.682   1.420   7.293
  255    HA   GLU  28           HA       GLU  28   4.664   3.923   7.902
  256   1HB   GLU  28           2HB      GLU  28   6.006   1.900   7.389
  257   2HB   GLU  28           3HB      GLU  28   5.641   2.103   5.689
  258   1HG   GLU  28           2HG      GLU  28   6.660   4.457   5.917
  259   2HG   GLU  28           3HG      GLU  28   7.289   3.903   7.463
  260    QB   GLU  28           QB       GLU  28   5.824   2.002   6.539
  261    QG   GLU  28           QG       GLU  28   6.975   4.180   6.690
  262    H    LEU  29           HN       LEU  29   3.882   2.824   4.627
  263    HA   LEU  29           HA       LEU  29   4.394   4.962   2.984
  264   1HB   LEU  29           2HB      LEU  29   3.151   2.728   2.509
  265   2HB   LEU  29           3HB      LEU  29   1.686   3.575   2.937
  266    HG   LEU  29           HG       LEU  29   1.795   3.685   0.568
  267   1HD1  LEU  29           2HD      LEU  29   1.310   5.908   1.588
  268   2HD1  LEU  29           3HD      LEU  29   3.024   6.307   1.437
  269   3HD1  LEU  29           1HD      LEU  29   2.059   6.019   0.001
  270   1HD2  LEU  29           3HD      LEU  29   4.682   4.564   0.848
  271   2HD2  LEU  29           1HD      LEU  29   4.118   2.995   0.282
  272   3HD2  LEU  29           2HD      LEU  29   3.797   4.441  -0.669
  273    QB   LEU  29           QB       LEU  29   2.419   3.151   2.723
  274    QD1  LEU  29           QD1      LEU  29   2.131   6.077   1.009
  275    QD2  LEU  29           QD2      LEU  29   4.199   4.000   0.154
  276    QQD  LEU  29           QQD      LEU  29   3.165   5.039   0.581
  277    H    ALA  30           HN       ALA  30   1.556   4.608   5.049
  278    HA   ALA  30           HA       ALA  30   0.064   6.848   4.396
  279   1HB   ALA  30           1HB      ALA  30  -0.599   5.201   6.142
  280   2HB   ALA  30           2HB      ALA  30   0.635   5.850   7.218
  281   3HB   ALA  30           3HB      ALA  30  -0.738   6.848   6.751
  282    QB   ALA  30           QB       ALA  30  -0.234   5.966   6.704
  283    H    SER  31           HN       SER  31   2.832   6.749   6.609
  284    HA   SER  31           HA       SER  31   2.947   9.284   7.656
  285   1HB   SER  31           2HB      SER  31   5.304   7.840   6.385
  286   2HB   SER  31           3HB      SER  31   5.391   9.088   7.650
  287    HG   SER  31           HG       SER  31   4.639   6.444   7.821
  288    QB   SER  31           QB       SER  31   5.347   8.464   7.018
  289    H    THR  32           HN       THR  32   3.803   8.436   4.351
  290    HA   THR  32           HA       THR  32   4.144  11.353   3.719
  291    HB   THR  32           HB       THR  32   5.140  10.448   1.527
  292    HG1  THR  32          1HG       THR  32   4.036   8.226   2.584
  293   1HG2  THR  32           1HG      THR  32   6.391   9.338   4.092
  294   2HG2  THR  32           2HG      THR  32   7.229   9.581   2.566
  295   3HG2  THR  32           3HG      THR  32   6.656  10.968   3.487
  296    QG2  THR  32           QG2      THR  32   6.759   9.962   3.382
  297    NH1  ARG  33           NH2      ARG  33  -3.776  10.302   0.387
  298    NH2  ARG  33           NH1      ARG  33  -5.292  11.401   1.691
  299    H    ARG  33           HN       ARG  33   2.034   8.771   3.444
  300    HA   ARG  33           HA       ARG  33   0.241   8.247   2.009
  301   1HB   ARG  33           2HB      ARG  33  -0.120  10.546   3.609
  302   2HB   ARG  33           3HB      ARG  33  -0.817  10.960   2.049
  303   1HG   ARG  33           2HG      ARG  33  -2.009   8.680   2.139
  304   2HG   ARG  33           3HG      ARG  33  -1.508   8.601   3.824
  305   1HD   ARG  33           2HD      ARG  33  -3.821   9.533   3.513
  306   2HD   ARG  33           3HD      ARG  33  -2.735  10.640   4.351
  307    HE   ARG  33           HE       ARG  33  -2.612  11.993   2.312
  308   1HH1  ARG  33           2HH      ARG  33  -2.846   9.932   0.267
  309   2HH1  ARG  33           1HH      ARG  33  -4.467  10.152  -0.326
  310   1HH2  ARG  33           2HH      ARG  33  -5.492  11.914   2.523
  311   2HH2  ARG  33           1HH      ARG  33  -6.033  11.209   1.028
  312    QB   ARG  33           QB       ARG  33  -0.468  10.752   2.829
  313    QG   ARG  33           QG       ARG  33  -1.759   8.641   2.981
  314    QD   ARG  33           QD       ARG  33  -3.278  10.086   3.932
  315    QH1  ARG  33           QH2      ARG  33  -3.657  10.042  -0.030
  316    QH2  ARG  33           QH1      ARG  33  -5.762  11.562   1.775
  317    H    GLN  34           HN       GLN  34   2.450   8.754   0.440
  318    HA   GLN  34           HA       GLN  34   2.156  10.698  -1.572
  319   1HB   GLN  34           2HB      GLN  34   3.930   8.650  -1.137
  320   2HB   GLN  34           3HB      GLN  34   3.024   7.994  -2.496
  321   1HG   GLN  34           2HG      GLN  34   4.955   9.300  -3.303
  322   2HG   GLN  34           3HG      GLN  34   3.457  10.096  -3.776
  323   1HE2  GLN  34           2HE      GLN  34   4.163  12.990  -1.882
  324   2HE2  GLN  34           1HE      GLN  34   3.144  12.228  -3.001
  325    QB   GLN  34           QB       GLN  34   3.477   8.322  -1.816
  326    QG   GLN  34           QG       GLN  34   4.206   9.698  -3.539
  327    QE2  GLN  34           QE2      GLN  34   3.654  12.609  -2.442
  328    H    ILE  35           HN       ILE  35   0.385   7.896  -0.922
  329    HA   ILE  35           HA       ILE  35  -1.290   8.237  -3.363
  330    HB   ILE  35           HB       ILE  35  -1.770   5.804  -3.163
  331   1HG1  ILE  35           2HG      ILE  35   0.132   4.693  -1.522
  332   2HG1  ILE  35           3HG      ILE  35  -0.210   6.160  -0.629
  333   1HG2  ILE  35           1HG      ILE  35   0.098   6.558  -4.579
  334   2HG2  ILE  35           2HG      ILE  35   1.195   6.441  -3.204
  335   3HG2  ILE  35           3HG      ILE  35   0.442   4.988  -3.860
  336   1HD1  ILE  35           1HD      ILE  35  -2.339   4.215  -1.568
  337   2HD1  ILE  35           2HD      ILE  35  -1.659   4.262   0.050
  338   3HD1  ILE  35           3HD      ILE  35  -2.593   5.623  -0.544
  339    QG1  ILE  35           QG1      ILE  35  -0.039   5.426  -1.075
  340    QG2  ILE  35           QG2      ILE  35   0.578   5.995  -3.881
  341    QD1  ILE  35           QD1      ILE  35  -2.197   4.700  -0.688
  342    H    ASP  36           HN       ASP  36  -3.489   7.170  -2.932
  343    HA   ASP  36           HA       ASP  36  -4.487   7.839  -0.187
  344   1HB   ASP  36           2HB      ASP  36  -5.138   9.331  -2.390
  345   2HB   ASP  36           3HB      ASP  36  -6.381   8.090  -2.482
  346    QB   ASP  36           QB       ASP  36  -5.760   8.710  -2.436
  347    H    PHE  37           HN       PHE  37  -6.991   6.729  -0.288
  348    HA   PHE  37           HA       PHE  37  -6.537   3.983  -1.361
  349   1HB   PHE  37           2HB      PHE  37  -7.376   4.751   1.438
  350   2HB   PHE  37           3HB      PHE  37  -7.578   3.121   0.804
  351    HD1  PHE  37          2HD       PHE  37  -5.226   2.418  -0.606
  352    HD2  PHE  37          1HD       PHE  37  -5.477   4.976   2.795
  353    HE1  PHE  37          2HE       PHE  37  -2.951   1.789   0.039
  354    HE2  PHE  37          1HE       PHE  37  -3.197   4.339   3.442
  355    HZ   PHE  37           HZ       PHE  37  -1.937   2.720   2.077
  356    QB   PHE  37           QB       PHE  37  -7.478   3.936   1.121
  357    QR   PHE  37           QR       PHE  37  -4.213   3.380   1.417
  358    CH2  TRP  38           CH2      TRP  38 -13.241   2.047  -7.942
  359    H    TRP  38           HN       TRP  38  -8.440   2.659  -1.499
  360    HA   TRP  38           HA       TRP  38 -10.982   4.217  -1.810
  361   1HB   TRP  38           2HB      TRP  38  -9.836   3.798  -3.989
  362   2HB   TRP  38           3HB      TRP  38  -9.899   2.088  -3.677
  363    HD1  TRP  38           HD1      TRP  38 -13.171   3.452  -2.592
  364    HE1  TRP  38           HE1      TRP  38 -14.928   3.141  -4.341
  365    HE3  TRP  38           HE3      TRP  38 -10.193   2.282  -6.451
  366    HZ2  TRP  38           HZ2      TRP  38 -15.121   2.442  -7.008
  367    HZ3  TRP  38           HZ3      TRP  38 -11.245   1.737  -8.630
  368    HH2  TRP  38           HH2      TRP  38 -13.680   1.812  -8.901
  369    QB   TRP  38           QB       TRP  38  -9.868   2.943  -3.833
  370    H    LYS  39           HN       LYS  39  -9.582   0.968  -1.739
  371    HA   LYS  39           HA       LYS  39 -11.771   0.107   0.104
  372   1HB   LYS  39           2HB      LYS  39 -10.681  -1.478  -2.255
  373   2HB   LYS  39           3HB      LYS  39 -11.799  -2.103  -1.056
  374   1HG   LYS  39           2HG      LYS  39 -13.524  -0.560  -1.721
  375   2HG   LYS  39           3HG      LYS  39 -12.414   0.356  -2.721
  376   1HD   LYS  39           2HD      LYS  39 -13.030  -2.576  -3.235
  377   2HD   LYS  39           3HD      LYS  39 -13.988  -1.285  -3.945
  378   1HE   LYS  39           2HE      LYS  39 -10.992  -1.703  -4.327
  379   2HE   LYS  39           3HE      LYS  39 -12.244  -1.992  -5.533
  380   1HZ   LYS  39           1HZ      LYS  39 -12.533   0.622  -4.532
  381   2HZ   LYS  39           2HZ      LYS  39 -10.910   0.393  -4.967
  382   3HZ   LYS  39           3HZ      LYS  39 -12.140   0.145  -6.108
  383    QB   LYS  39           QB       LYS  39 -11.241  -1.791  -1.656
  384    QG   LYS  39           QG       LYS  39 -12.969  -0.103  -2.221
  385    QD   LYS  39           QD       LYS  39 -13.509  -1.931  -3.590
  386    QE   LYS  39           QE       LYS  39 -11.618  -1.848  -4.930
  387    QZ   LYS  39           QZ       LYS  39 -11.862   0.387  -5.203
  388    HA   PRO  40           HA       PRO  40 -11.887  -0.275   2.136
  389   1HB   PRO  40           2HB      PRO  40  -9.888  -0.007   4.347
  390   2HB   PRO  40           3HB      PRO  40 -11.520  -0.690   4.385
  391   1HG   PRO  40           2HG      PRO  40  -9.316  -2.282   4.439
  392   2HG   PRO  40           3HG      PRO  40 -10.789  -2.797   3.604
  393   1HD   PRO  40           2HD      PRO  40  -8.220  -1.729   2.452
  394   2HD   PRO  40           3HD      PRO  40  -9.325  -2.946   1.780
  395    QB   PRO  40           QB       PRO  40 -10.704  -0.349   4.366
  396    QG   PRO  40           QG       PRO  40 -10.052  -2.540   4.022
  397    QD   PRO  40           QD       PRO  40  -8.772  -2.337   2.116
  398    H    ASP  41           HN       ASP  41 -11.609   1.741   3.936
  399    HA   ASP  41           HA       ASP  41 -10.607   3.978   2.264
  400   1HB   ASP  41           2HB      ASP  41 -12.009   5.367   3.749
  401   2HB   ASP  41           3HB      ASP  41 -12.955   4.012   3.147
  402    QB   ASP  41           QB       ASP  41 -12.482   4.690   3.448
  403    H    SER  42           HN       SER  42 -10.470   2.880   5.646
  404    HA   SER  42           HA       SER  42  -8.138   4.678   6.095
  405   1HB   SER  42           2HB      SER  42  -9.961   3.175   8.023
  406   2HB   SER  42           3HB      SER  42  -8.604   4.201   8.522
  407    HG   SER  42           HG       SER  42 -11.024   4.896   7.228
  408    QB   SER  42           QB       SER  42  -9.283   3.688   8.273
  409    H    VAL  43           HN       VAL  43  -6.185   3.913   6.751
  410    HA   VAL  43           HA       VAL  43  -5.752   0.969   6.498
  411    HB   VAL  43           HB       VAL  43  -4.622   2.464   4.853
  412   1HG1  VAL  43           1HG      VAL  43  -3.188   3.596   7.279
  413   2HG1  VAL  43           2HG      VAL  43  -2.766   3.931   5.606
  414   3HG1  VAL  43           3HG      VAL  43  -4.317   4.457   6.244
  415   1HG2  VAL  43           1HG      VAL  43  -3.554   0.320   5.445
  416   2HG2  VAL  43           2HG      VAL  43  -2.351   1.546   5.067
  417   3HG2  VAL  43           3HG      VAL  43  -2.666   1.107   6.742
  418    QG1  VAL  43           QG1      VAL  43  -3.424   3.995   6.376
  419    QG2  VAL  43           QG2      VAL  43  -2.857   0.991   5.751
  420    QQG  VAL  43           QQG      VAL  43  -3.140   2.493   6.064
  421    H    THR  44           HN       THR  44  -6.828   1.880   8.791
  422    HA   THR  44           HA       THR  44  -4.602   1.783  10.798
  423    HB   THR  44           HB       THR  44  -6.295   2.964  12.326
  424    HG1  THR  44          1HG       THR  44  -7.962   3.914  10.706
  425   1HG2  THR  44           1HG      THR  44  -4.639   4.315  10.921
  426   2HG2  THR  44           2HG      THR  44  -5.843   4.369   9.642
  427   3HG2  THR  44           3HG      THR  44  -6.160   5.158  11.185
  428    QG2  THR  44           QG2      THR  44  -5.547   4.614  10.583
  429    H    GLN  45           HN       GLN  45  -8.097   1.209  10.851
  430    HA   GLN  45           HA       GLN  45  -7.770  -1.075  12.673
  431   1HB   GLN  45           2HB      GLN  45 -10.367  -1.181  12.274
  432   2HB   GLN  45           3HB      GLN  45  -9.715   0.170  13.184
  433   1HG   GLN  45           2HG      GLN  45  -9.866   1.643  11.294
  434   2HG   GLN  45           3HG      GLN  45 -10.149   0.302  10.186
  435   1HE2  GLN  45           2HE      GLN  45 -13.586   0.967  10.499
  436   2HE2  GLN  45           1HE      GLN  45 -12.246   0.818   9.468
  437    QB   GLN  45           QB       GLN  45 -10.041  -0.506  12.729
  438    QG   GLN  45           QG       GLN  45 -10.008   0.973  10.740
  439    QE2  GLN  45           QE2      GLN  45 -12.916   0.893   9.983
  440    H    ILE  46           HN       ILE  46  -6.382  -1.662  10.581
  441    HA   ILE  46           HA       ILE  46  -8.032  -3.556   8.954
  442    HB   ILE  46           HB       ILE  46  -5.474  -2.148   8.233
  443   1HG1  ILE  46           2HG      ILE  46  -7.347  -0.649   8.191
  444   2HG1  ILE  46           3HG      ILE  46  -6.723  -0.948   6.573
  445   1HG2  ILE  46           2HG      ILE  46  -7.094  -4.108   6.618
  446   2HG2  ILE  46           3HG      ILE  46  -5.735  -3.178   5.998
  447   3HG2  ILE  46           1HG      ILE  46  -5.478  -4.378   7.257
  448   1HD1  ILE  46           2HD      ILE  46  -8.429  -2.686   6.269
  449   2HD1  ILE  46           3HD      ILE  46  -9.081  -2.310   7.861
  450   3HD1  ILE  46           1HD      ILE  46  -9.133  -1.101   6.578
  451    QG1  ILE  46           QG1      ILE  46  -7.035  -0.799   7.383
  452    QG2  ILE  46           QG2      ILE  46  -6.103  -3.888   6.625
  453    QD1  ILE  46           QD1      ILE  46  -8.881  -2.032   6.903
  454    H    LYS  47           HN       LYS  47  -7.332  -5.612   8.771
  455    HA   LYS  47           HA       LYS  47  -4.863  -6.442  10.187
  456   1HB   LYS  47           2HB      LYS  47  -7.694  -7.366  10.733
  457   2HB   LYS  47           3HB      LYS  47  -6.309  -8.296  11.259
  458   1HG   LYS  47           2HG      LYS  47  -6.738  -5.371  11.964
  459   2HG   LYS  47           3HG      LYS  47  -7.191  -6.698  13.017
  460   1HD   LYS  47           2HD      LYS  47  -5.023  -7.139  13.626
  461   2HD   LYS  47           3HD      LYS  47  -4.387  -6.815  12.030
  462   1HE   LYS  47           2HE      LYS  47  -4.831  -4.310  12.539
  463   2HE   LYS  47           3HE      LYS  47  -5.039  -4.818  14.206
  464   1HZ   LYS  47           1HZ      LYS  47  -2.745  -6.063  13.298
  465   2HZ   LYS  47           2HZ      LYS  47  -2.624  -4.489  12.707
  466   3HZ   LYS  47           3HZ      LYS  47  -2.815  -4.763  14.383
  467    QB   LYS  47           QB       LYS  47  -7.001  -7.830  10.996
  468    QG   LYS  47           QG       LYS  47  -6.964  -6.034  12.490
  469    QD   LYS  47           QD       LYS  47  -4.705  -6.977  12.829
  470    QE   LYS  47           QE       LYS  47  -4.935  -4.564  13.372
  471    QZ   LYS  47           QZ       LYS  47  -2.728  -5.105  13.463
  472    HA   PRO  48           HA       PRO  48  -3.705  -9.086   7.096
  473   1HB   PRO  48           2HB      PRO  48  -4.489 -11.580   8.560
  474   2HB   PRO  48           3HB      PRO  48  -2.943 -11.158   7.799
  475   1HG   PRO  48           2HG      PRO  48  -3.252 -10.980  10.485
  476   2HG   PRO  48           3HG      PRO  48  -2.274  -9.801   9.602
  477   1HD   PRO  48           2HD      PRO  48  -5.000  -9.470  10.773
  478   2HD   PRO  48           3HD      PRO  48  -3.737  -8.257  10.527
  479    QB   PRO  48           QB       PRO  48  -3.716 -11.369   8.180
  480    QG   PRO  48           QG       PRO  48  -2.763 -10.390  10.044
  481    QD   PRO  48           QD       PRO  48  -4.368  -8.864  10.649
  482    H    HIS  49           HN       HIS  49  -4.166 -11.112   5.725
  483    HA   HIS  49           HA       HIS  49  -5.475 -11.617   3.831
  484   1HB   HIS  49           2HB      HIS  49  -7.349 -13.198   4.677
  485   2HB   HIS  49           3HB      HIS  49  -5.679 -13.611   4.950
  486    HD1  HIS  49           HD1      HIS  49  -7.843 -11.310   6.910
  487    HD2  HIS  49           HD2      HIS  49  -5.729 -14.792   7.514
  488    HE1  HIS  49           HE1      HIS  49  -8.093 -11.893   9.354
  489    QB   HIS  49           QB       HIS  49  -6.514 -13.404   4.813
  490    H    SER  50           HN       SER  50  -6.079  -9.262   3.699
  491    HA   SER  50           HA       SER  50  -9.039  -9.148   3.428
  492   1HB   SER  50           2HB      SER  50  -8.775  -6.634   4.124
  493   2HB   SER  50           3HB      SER  50  -8.751  -7.857   5.408
  494    HG   SER  50           HG       SER  50  -6.755  -7.333   5.807
  495    QB   SER  50           QB       SER  50  -8.763  -7.245   4.766
  496    H    THR  51           HN       THR  51  -6.399  -6.864   2.850
  497    HA   THR  51           HA       THR  51  -5.298  -6.622   0.614
  498    HB   THR  51           HB       THR  51  -8.138  -6.987  -0.492
  499    HG1  THR  51          1HG       THR  51  -7.344  -8.947  -0.247
  500   1HG2  THR  51           3HG      THR  51  -5.477  -6.620  -1.945
  501   2HG2  THR  51           1HG      THR  51  -7.038  -6.913  -2.697
  502   3HG2  THR  51           2HG      THR  51  -6.731  -5.385  -1.883
  503    QG2  THR  51           QG2      THR  51  -6.415  -6.306  -2.176
  504    H    VAL  52           HN       VAL  52  -5.190  -4.690  -0.614
  505    HA   VAL  52           HA       VAL  52  -6.990  -2.485   0.334
  506    HB   VAL  52           HB       VAL  52  -4.063  -2.004  -0.201
  507   1HG1  VAL  52           2HG      VAL  52  -6.123  -0.646   1.572
  508   2HG1  VAL  52           3HG      VAL  52  -4.461  -0.113   1.363
  509   3HG1  VAL  52           1HG      VAL  52  -5.580  -0.065   0.004
  510   1HG2  VAL  52           1HG      VAL  52  -5.228  -2.894   2.462
  511   2HG2  VAL  52           2HG      VAL  52  -4.080  -3.803   1.484
  512   3HG2  VAL  52           3HG      VAL  52  -3.595  -2.284   2.227
  513    QG1  VAL  52           QG1      VAL  52  -5.387  -0.275   0.980
  514    QG2  VAL  52           QG2      VAL  52  -4.301  -2.994   2.058
  515    QQG  VAL  52           QQG      VAL  52  -4.845  -1.634   1.518
  516    H    ASP  53           HN       ASP  53  -7.229  -0.739  -1.188
  517    HA   ASP  53           HA       ASP  53  -6.186  -1.276  -3.941
  518   1HB   ASP  53           2HB      ASP  53  -8.557  -2.100  -3.699
  519   2HB   ASP  53           3HB      ASP  53  -9.024  -0.479  -3.215
  520    QB   ASP  53           QB       ASP  53  -8.790  -1.289  -3.457
  521    H    PHE  54           HN       PHE  54  -5.740   0.517  -5.195
  522    HA   PHE  54           HA       PHE  54  -6.727   3.148  -4.829
  523   1HB   PHE  54           2HB      PHE  54  -4.803   4.291  -3.812
  524   2HB   PHE  54           3HB      PHE  54  -5.464   3.119  -2.694
  525    HD1  PHE  54          2HD       PHE  54  -4.290   0.938  -2.321
  526    HD2  PHE  54          1HD       PHE  54  -2.563   4.029  -4.689
  527    HE1  PHE  54          2HE       PHE  54  -2.080  -0.074  -2.033
  528    HE2  PHE  54          1HE       PHE  54  -0.345   3.005  -4.403
  529    HZ   PHE  54           HZ       PHE  54  -0.103   0.951  -3.077
  530    QB   PHE  54           QB       PHE  54  -5.133   3.705  -3.253
  531    QR   PHE  54           QR       PHE  54  -2.319   1.975  -3.362
  532    NH1  ARG  55           NH1      ARG  55  -4.491   6.105 -11.841
  533    NH2  ARG  55           NH2      ARG  55  -6.484   6.003 -12.940
  534    H    ARG  55           HN       ARG  55  -5.018   4.793  -5.858
  535    HA   ARG  55           HA       ARG  55  -3.543   3.397  -8.046
  536   1HB   ARG  55           2HB      ARG  55  -5.027   5.987  -8.535
  537   2HB   ARG  55           3HB      ARG  55  -4.372   4.864  -9.716
  538   1HG   ARG  55           2HG      ARG  55  -6.081   3.163  -8.759
  539   2HG   ARG  55           3HG      ARG  55  -6.865   4.574  -8.054
  540   1HD   ARG  55           2HD      ARG  55  -6.608   3.789 -10.935
  541   2HD   ARG  55           3HD      ARG  55  -7.951   4.562 -10.100
  542    HE   ARG  55           HE       ARG  55  -6.623   6.714 -10.181
  543   1HH1  ARG  55           2HH      ARG  55  -3.973   6.105 -10.987
  544   2HH1  ARG  55           1HH      ARG  55  -3.998   6.159 -12.715
  545   1HH2  ARG  55           2HH      ARG  55  -7.479   5.936 -12.902
  546   2HH2  ARG  55           1HH      ARG  55  -6.017   6.048 -13.842
  547    QB   ARG  55           QB       ARG  55  -4.699   5.426  -9.125
  548    QG   ARG  55           QG       ARG  55  -6.472   3.869  -8.407
  549    QD   ARG  55           QD       ARG  55  -7.279   4.176 -10.517
  550    QH1  ARG  55           QH1      ARG  55  -3.985   6.132 -11.851
  551    QH2  ARG  55           QH2      ARG  55  -6.748   5.992 -13.371
  552    H    VAL  56           HN       VAL  56  -2.258   5.220  -9.315
  553    HA   VAL  56           HA       VAL  56  -0.979   7.016  -7.270
  554    HB   VAL  56           HB       VAL  56   0.586   5.784  -9.551
  555   1HG1  VAL  56           3HG      VAL  56   1.328   6.719  -6.751
  556   2HG1  VAL  56           1HG      VAL  56   2.460   6.029  -7.907
  557   3HG1  VAL  56           2HG      VAL  56   1.673   7.559  -8.254
  558   1HG2  VAL  56           1HG      VAL  56   0.072   4.452  -6.868
  559   2HG2  VAL  56           2HG      VAL  56  -0.455   3.853  -8.432
  560   3HG2  VAL  56           3HG      VAL  56   1.263   3.916  -8.049
  561    QG1  VAL  56           QG1      VAL  56   1.820   6.769  -7.638
  562    QG2  VAL  56           QG2      VAL  56   0.294   4.074  -7.783
  563    QQG  VAL  56           QQG      VAL  56   1.057   5.421  -7.710
  564    H    LYS  57           HN       LYS  57   0.272   8.847  -8.485
  565    HA   LYS  57           HA       LYS  57  -1.548   9.836 -10.634
  566   1HB   LYS  57           2HB      LYS  57   0.742  11.237  -9.216
  567   2HB   LYS  57           3HB      LYS  57  -0.479  12.002 -10.214
  568   1HG   LYS  57           2HG      LYS  57  -2.182  11.671  -8.605
  569   2HG   LYS  57           3HG      LYS  57  -1.290  10.404  -7.781
  570   1HD   LYS  57           2HD      LYS  57  -1.287  12.475  -6.454
  571   2HD   LYS  57           3HD      LYS  57   0.337  12.044  -6.941
  572   1HE   LYS  57           2HE      LYS  57  -1.311  13.946  -8.618
  573   2HE   LYS  57           3HE      LYS  57  -0.434  14.530  -7.206
  574   1HZ   LYS  57           3HZ      LYS  57   1.339  12.938  -8.646
  575   2HZ   LYS  57           1HZ      LYS  57   0.575  13.951  -9.780
  576   3HZ   LYS  57           2HZ      LYS  57   1.383  14.619  -8.462
  577    QB   LYS  57           QB       LYS  57   0.131  11.619  -9.715
  578    QG   LYS  57           QG       LYS  57  -1.735  11.037  -8.193
  579    QD   LYS  57           QD       LYS  57  -0.475  12.260  -6.698
  580    QE   LYS  57           QE       LYS  57  -0.872  14.238  -7.912
  581    QZ   LYS  57           QZ       LYS  57   1.100  13.836  -8.962
  582    H    ALA  58           HN       ALA  58   1.251  11.419 -11.161
  583    HA   ALA  58           HA       ALA  58   2.350   9.307 -12.993
  584   1HB   ALA  58           2HB      ALA  58   2.086  12.302 -13.497
  585   2HB   ALA  58           3HB      ALA  58   2.845  11.154 -14.591
  586   3HB   ALA  58           1HB      ALA  58   1.121  11.046 -14.263
  587    QB   ALA  58           QB       ALA  58   2.017  11.500 -14.117
  588    H    GLU  59           HN       GLU  59   3.109  12.509 -11.818
  589    HA   GLU  59           HA       GLU  59   5.857  12.465 -11.718
  590   1HB   GLU  59           2HB      GLU  59   4.270  13.633  -9.424
  591   2HB   GLU  59           3HB      GLU  59   5.711  14.284 -10.191
  592   1HG   GLU  59           2HG      GLU  59   4.223  15.652 -11.280
  593   2HG   GLU  59           3HG      GLU  59   3.957  14.256 -12.319
  594    QB   GLU  59           QB       GLU  59   4.990  13.959  -9.807
  595    QG   GLU  59           QG       GLU  59   4.090  14.954 -11.800
  596    H    ASP  60           HN       ASP  60   3.639  10.889  -9.521
  597    HA   ASP  60           HA       ASP  60   5.902  10.034  -7.795
  598   1HB   ASP  60           2HB      ASP  60   3.827   9.360  -6.279
  599   2HB   ASP  60           3HB      ASP  60   4.382  11.027  -6.374
  600    QB   ASP  60           QB       ASP  60   4.105  10.193  -6.327
  601    H    ILE  61           HN       ILE  61   5.159   8.539 -10.342
  602    HA   ILE  61           HA       ILE  61   4.185   5.921  -9.263
  603    HB   ILE  61           HB       ILE  61   5.357   6.724 -11.840
  604   1HG1  ILE  61           2HG      ILE  61   2.456   6.572 -10.899
  605   2HG1  ILE  61           3HG      ILE  61   3.299   7.986 -11.496
  606   1HG2  ILE  61           2HG      ILE  61   5.377   4.214 -11.547
  607   2HG2  ILE  61           3HG      ILE  61   3.671   4.248 -11.139
  608   3HG2  ILE  61           1HG      ILE  61   4.207   4.620 -12.774
  609   1HD1  ILE  61           3HD      ILE  61   3.443   6.952 -13.747
  610   2HD1  ILE  61           1HD      ILE  61   2.557   5.550 -13.151
  611   3HD1  ILE  61           2HD      ILE  61   1.775   7.117 -13.217
  612    QG1  ILE  61           QG1      ILE  61   2.878   7.278 -11.197
  613    QG2  ILE  61           QG2      ILE  61   4.418   4.361 -11.821
  614    QD1  ILE  61           QD1      ILE  61   2.592   6.539 -13.371
  615    H    LEU  62           HN       LEU  62   6.421   7.185  -8.444
  616    HA   LEU  62           HA       LEU  62   8.497   5.110  -8.776
  617   1HB   LEU  62           2HB      LEU  62  10.127   6.865  -7.996
  618   2HB   LEU  62           3HB      LEU  62   9.341   7.241  -9.518
  619    HG   LEU  62           HG       LEU  62   7.588   8.379  -7.722
  620   1HD1  LEU  62           2HD      LEU  62   9.140   7.934  -5.814
  621   2HD1  LEU  62           3HD      LEU  62  10.388   8.841  -6.646
  622   3HD1  LEU  62           1HD      LEU  62   8.925   9.655  -6.100
  623   1HD2  LEU  62           2HD      LEU  62  10.030   9.640  -8.982
  624   2HD2  LEU  62           3HD      LEU  62   8.471   9.396  -9.771
  625   3HD2  LEU  62           1HD      LEU  62   8.607  10.512  -8.417
  626    QB   LEU  62           QB       LEU  62   9.734   7.053  -8.757
  627    QD1  LEU  62           QD1      LEU  62   9.484   8.810  -6.187
  628    QD2  LEU  62           QD2      LEU  62   9.036   9.850  -9.057
  629    QQD  LEU  62           QQD      LEU  62   9.260   9.329  -7.621
  630    H    ALA  63           HN       ALA  63   7.010   7.192  -6.321
  631    HA   ALA  63           HA       ALA  63   8.508   6.019  -4.157
  632   1HB   ALA  63           1HB      ALA  63   5.825   7.453  -4.081
  633   2HB   ALA  63           2HB      ALA  63   6.820   7.091  -2.673
  634   3HB   ALA  63           3HB      ALA  63   7.401   8.213  -3.897
  635    QB   ALA  63           QB       ALA  63   6.682   7.585  -3.550
  636    H    VAL  64           HN       VAL  64   5.311   5.326  -5.485
  637    HA   VAL  64           HA       VAL  64   4.630   3.351  -3.519
  638    HB   VAL  64           HB       VAL  64   3.828   3.523  -6.463
  639   1HG1  VAL  64           3HG      VAL  64   3.315   1.326  -5.433
  640   2HG1  VAL  64           1HG      VAL  64   2.477   2.139  -4.113
  641   3HG1  VAL  64           2HG      VAL  64   1.843   2.226  -5.755
  642   1HG2  VAL  64           1HG      VAL  64   2.532   4.657  -3.964
  643   2HG2  VAL  64           2HG      VAL  64   3.320   5.600  -5.226
  644   3HG2  VAL  64           3HG      VAL  64   1.834   4.726  -5.581
  645    QG1  VAL  64           QG1      VAL  64   2.545   1.897  -5.101
  646    QG2  VAL  64           QG2      VAL  64   2.562   4.994  -4.923
  647    QQG  VAL  64           QQG      VAL  64   2.553   3.446  -5.012
  648    H    GLU  65           HN       GLU  65   5.924   2.980  -6.822
  649    HA   GLU  65           HA       GLU  65   6.383   0.185  -6.686
  650   1HB   GLU  65           2HB      GLU  65   8.138   2.154  -8.205
  651   2HB   GLU  65           3HB      GLU  65   7.792   0.483  -8.622
  652   1HG   GLU  65           2HG      GLU  65   5.329   1.139  -8.875
  653   2HG   GLU  65           3HG      GLU  65   5.835   2.820  -8.719
  654    QB   GLU  65           QB       GLU  65   7.965   1.318  -8.413
  655    QG   GLU  65           QG       GLU  65   5.581   1.980  -8.797
  656    H    ASP  66           HN       ASP  66   8.650   2.867  -5.942
  657    HA   ASP  66           HA       ASP  66  10.830   1.321  -5.029
  658   1HB   ASP  66           2HB      ASP  66  10.820   3.852  -5.316
  659   2HB   ASP  66           3HB      ASP  66   9.899   3.962  -3.830
  660    QB   ASP  66           QB       ASP  66  10.360   3.906  -4.573
  661    H    PHE  67           HN       PHE  67   8.385   2.891  -3.014
  662    HA   PHE  67           HA       PHE  67   8.914   1.815  -0.528
  663   1HB   PHE  67           2HB      PHE  67   7.058   3.434  -1.050
  664   2HB   PHE  67           3HB      PHE  67   6.087   2.113  -1.659
  665    HD1  PHE  67          1HD       PHE  67   5.441   0.224  -0.150
  666    HD2  PHE  67          2HD       PHE  67   7.341   3.732   1.370
  667    HE1  PHE  67          1HE       PHE  67   4.758  -0.383   2.128
  668    HE2  PHE  67          2HE       PHE  67   6.642   3.115   3.641
  669    HZ   PHE  67           HZ       PHE  67   5.380   1.041   4.017
  670    QB   PHE  67           QB       PHE  67   6.572   2.773  -1.354
  671    QR   PHE  67           QR       PHE  67   6.045   1.671   1.748
  672    H    LEU  68           HN       LEU  68   7.133   0.274  -3.128
  673    HA   LEU  68           HA       LEU  68   6.649  -2.155  -1.565
  674   1HB   LEU  68           2HB      LEU  68   6.378  -1.643  -4.551
  675   2HB   LEU  68           3HB      LEU  68   5.716  -3.029  -3.694
  676    HG   LEU  68           HG       LEU  68   5.010  -0.174  -2.931
  677   1HD1  LEU  68           2HD      LEU  68   3.541  -2.045  -4.827
  678   2HD1  LEU  68           3HD      LEU  68   2.934  -0.491  -4.260
  679   3HD1  LEU  68           1HD      LEU  68   4.360  -0.562  -5.297
  680   1HD2  LEU  68           2HD      LEU  68   3.683  -2.859  -2.433
  681   2HD2  LEU  68           3HD      LEU  68   4.592  -1.929  -1.252
  682   3HD2  LEU  68           1HD      LEU  68   3.075  -1.300  -1.882
  683    QB   LEU  68           QB       LEU  68   6.047  -2.336  -4.123
  684    QD1  LEU  68           QD1      LEU  68   3.612  -1.033  -4.795
  685    QD2  LEU  68           QD2      LEU  68   3.783  -2.029  -1.855
  686    QQD  LEU  68           QQD      LEU  68   3.697  -1.531  -3.325
  687    H    GLU  69           HN       GLU  69   8.274  -1.881  -4.705
  688    HA   GLU  69           HA       GLU  69   9.664  -4.265  -4.688
  689   1HB   GLU  69           2HB      GLU  69   9.768  -1.825  -6.197
  690   2HB   GLU  69           3HB      GLU  69  11.413  -2.337  -5.868
  691   1HG   GLU  69           2HG      GLU  69  10.845  -3.477  -7.877
  692   2HG   GLU  69           3HG      GLU  69  10.650  -4.693  -6.628
  693    QB   GLU  69           QB       GLU  69  10.590  -2.081  -6.033
  694    QG   GLU  69           QG       GLU  69  10.748  -4.085  -7.253
  695    H    GLN  70           HN       GLN  70  10.944  -1.176  -3.380
  696    HA   GLN  70           HA       GLN  70  13.535  -1.882  -2.688
  697   1HB   GLN  70           2HB      GLN  70  11.494  -0.388  -1.027
  698   2HB   GLN  70           3HB      GLN  70  13.124  -0.647  -0.437
  699   1HG   GLN  70           2HG      GLN  70  12.436   0.743  -3.053
  700   2HG   GLN  70           3HG      GLN  70  12.861   1.560  -1.560
  701   1HE2  GLN  70           2HE      GLN  70  15.854   0.993  -3.859
  702   2HE2  GLN  70           1HE      GLN  70  14.291   1.575  -4.183
  703    QB   GLN  70           QB       GLN  70  12.309  -0.517  -0.733
  704    QG   GLN  70           QG       GLN  70  12.648   1.152  -2.306
  705    QE2  GLN  70           QE2      GLN  70  15.073   1.284  -4.021
  706    H    ASN  71           HN       ASN  71  10.622  -2.885  -0.992
  707    HA   ASN  71           HA       ASN  71  12.237  -4.927   0.452
  708   1HB   ASN  71           2HB      ASN  71   9.583  -4.104   1.541
  709   2HB   ASN  71           3HB      ASN  71  11.086  -4.453   2.350
  710   1HD2  ASN  71           2HD      ASN  71  10.317  -0.624   1.186
  711   2HD2  ASN  71           1HD      ASN  71   9.380  -1.889   0.591
  712    QB   ASN  71           QB       ASN  71  10.334  -4.279   1.945
  713    QD2  ASN  71           QD2      ASN  71   9.849  -1.256   0.889
  714    H    GLU  72           HN       GLU  72  11.165  -5.433  -2.135
  715    HA   GLU  72           HA       GLU  72   9.239  -6.482  -3.212
  716   1HB   GLU  72           2HB      GLU  72   9.656  -9.011  -2.450
  717   2HB   GLU  72           3HB      GLU  72  10.815  -8.141  -3.436
  718   1HG   GLU  72           2HG      GLU  72  10.957  -8.219  -0.400
  719   2HG   GLU  72           3HG      GLU  72  11.811  -9.361  -1.432
  720    QB   GLU  72           QB       GLU  72  10.236  -8.576  -2.943
  721    QG   GLU  72           QG       GLU  72  11.384  -8.790  -0.916
  722    H    LEU  73           HN       LEU  73   7.722  -5.248  -1.681
  723    HA   LEU  73           HA       LEU  73   6.433  -6.715   0.441
  724   1HB   LEU  73           2HB      LEU  73   6.316  -4.083  -0.668
  725   2HB   LEU  73           3HB      LEU  73   4.685  -4.728  -0.766
  726    HG   LEU  73           HG       LEU  73   4.834  -5.320   1.685
  727   1HD1  LEU  73           3HD      LEU  73   7.322  -5.392   1.872
  728   2HD1  LEU  73           1HD      LEU  73   7.385  -3.661   1.560
  729   3HD1  LEU  73           2HD      LEU  73   6.623  -4.261   3.020
  730   1HD2  LEU  73           3HD      LEU  73   3.782  -3.197   0.891
  731   2HD2  LEU  73           1HD      LEU  73   4.542  -2.996   2.466
  732   3HD2  LEU  73           2HD      LEU  73   5.346  -2.389   1.020
  733    QB   LEU  73           QB       LEU  73   5.500  -4.406  -0.717
  734    QD1  LEU  73           QD1      LEU  73   7.110  -4.438   2.151
  735    QD2  LEU  73           QD2      LEU  73   4.557  -2.861   1.460
  736    QQD  LEU  73           QQD      LEU  73   5.833  -3.649   1.805
  737    H    GLN  74           HN       GLN  74   3.923  -6.999   0.203
  738    HA   GLN  74           HA       GLN  74   3.567  -8.898  -2.042
  739   1HB   GLN  74           2HB      GLN  74   1.878  -8.299   0.421
  740   2HB   GLN  74           3HB      GLN  74   1.509  -9.553  -0.755
  741   1HG   GLN  74           2HG      GLN  74   4.189  -9.448   0.647
  742   2HG   GLN  74           3HG      GLN  74   2.813 -10.282   1.345
  743   1HE2  GLN  74           2HE      GLN  74   3.290 -13.102  -0.682
  744   2HE2  GLN  74           1HE      GLN  74   2.561 -12.426   0.692
  745    QB   GLN  74           QB       GLN  74   1.693  -8.926  -0.166
  746    QG   GLN  74           QG       GLN  74   3.500  -9.865   0.996
  747    QE2  GLN  74           QE2      GLN  74   2.926 -12.764   0.006
  748    OH   TYR  75           OH       TYR  75   6.657  -6.371  -7.799
  749    H    TYR  75           HN       TYR  75   3.398  -7.261  -3.665
  750    HA   TYR  75           HA       TYR  75   0.688  -5.955  -3.720
  751   1HB   TYR  75           2HB      TYR  75   1.646  -4.141  -5.044
  752   2HB   TYR  75           3HB      TYR  75   2.621  -4.318  -3.590
  753    HD1  TYR  75           HD1      TYR  75   4.697  -5.892  -3.775
  754    HD2  TYR  75           HD2      TYR  75   2.729  -4.236  -7.165
  755    HE1  TYR  75           HE1      TYR  75   6.522  -6.668  -5.203
  756    HE2  TYR  75           HE2      TYR  75   4.614  -4.945  -8.570
  757    HH   TYR  75           HH       TYR  75   7.248  -5.627  -8.008
  758    QB   TYR  75           QB       TYR  75   2.133  -4.230  -4.317
  759    QR   TYR  75           QR       TYR  75   4.640  -5.435  -6.178
  760    H    GLU  76           HN       GLU  76   0.026  -5.460  -6.006
  761    HA   GLU  76           HA       GLU  76   0.843  -7.643  -7.887
  762   1HB   GLU  76           2HB      GLU  76  -1.987  -6.591  -7.868
  763   2HB   GLU  76           3HB      GLU  76  -1.397  -8.153  -8.407
  764   1HG   GLU  76           2HG      GLU  76  -0.971  -8.791  -6.016
  765   2HG   GLU  76           3HG      GLU  76  -1.666  -7.253  -5.513
  766    QB   GLU  76           QB       GLU  76  -1.692  -7.371  -8.138
  767    QG   GLU  76           QG       GLU  76  -1.318  -8.022  -5.765
  768    H    VAL  77           HN       VAL  77   0.621  -6.981 -10.167
  769    HA   VAL  77           HA       VAL  77   0.484  -3.996 -10.472
  770    HB   VAL  77           HB       VAL  77   2.076  -5.795 -12.331
  771   1HG1  VAL  77           2HG      VAL  77   2.260  -2.854 -11.550
  772   2HG1  VAL  77           3HG      VAL  77   3.316  -3.666 -12.705
  773   3HG1  VAL  77           1HG      VAL  77   1.602  -3.483 -13.060
  774   1HG2  VAL  77           2HG      VAL  77   3.072  -4.472  -9.779
  775   2HG2  VAL  77           3HG      VAL  77   2.949  -6.208 -10.043
  776   3HG2  VAL  77           1HG      VAL  77   4.098  -5.254 -10.979
  777    QG1  VAL  77           QG1      VAL  77   2.393  -3.335 -12.438
  778    QG2  VAL  77           QG2      VAL  77   3.373  -5.311 -10.267
  779    QQG  VAL  77           QQG      VAL  77   2.882  -4.323 -11.353
  780    H    LEU  78           HN       LEU  78  -1.705  -5.506 -10.544
  781    HA   LEU  78           HA       LEU  78  -3.281  -6.629 -12.086
  782   1HB   LEU  78           2HB      LEU  78  -3.508  -3.615 -12.262
  783   2HB   LEU  78           3HB      LEU  78  -4.818  -4.755 -12.510
  784    HG   LEU  78           HG       LEU  78  -3.235  -4.561  -9.917
  785   1HD1  LEU  78           1HD      LEU  78  -5.918  -3.344 -10.657
  786   2HD1  LEU  78           2HD      LEU  78  -5.191  -3.319  -9.052
  787   3HD1  LEU  78           3HD      LEU  78  -4.426  -2.452 -10.380
  788   1HD2  LEU  78           2HD      LEU  78  -4.396  -6.727 -10.325
  789   2HD2  LEU  78           3HD      LEU  78  -5.139  -5.845  -9.005
  790   3HD2  LEU  78           1HD      LEU  78  -5.905  -5.862 -10.590
  791    QB   LEU  78           QB       LEU  78  -4.163  -4.186 -12.386
  792    QD1  LEU  78           QD1      LEU  78  -5.178  -3.038 -10.030
  793    QD2  LEU  78           QD2      LEU  78  -5.146  -6.145  -9.973
  794    QQD  LEU  78           QQD      LEU  78  -5.163  -4.592 -10.002
  795    H    ILE  79           HN       ILE  79  -2.138  -3.702 -13.814
  796    HA   ILE  79           HA       ILE  79  -2.822  -4.871 -16.370
  797    HB   ILE  79           HB       ILE  79  -1.797  -2.739 -17.186
  798   1HG1  ILE  79           2HG      ILE  79  -1.594  -1.788 -14.354
  799   2HG1  ILE  79           3HG      ILE  79  -0.249  -2.692 -15.038
  800   1HG2  ILE  79           2HG      ILE  79  -4.195  -2.836 -16.602
  801   2HG2  ILE  79           3HG      ILE  79  -3.805  -2.424 -14.937
  802   3HG2  ILE  79           1HG      ILE  79  -3.531  -1.253 -16.223
  803   1HD1  ILE  79           3HD      ILE  79  -0.140  -1.100 -16.934
  804   2HD1  ILE  79           1HD      ILE  79  -1.483  -0.190 -16.244
  805   3HD1  ILE  79           2HD      ILE  79   0.053  -0.270 -15.395
  806    QG1  ILE  79           QG1      ILE  79  -0.921  -2.241 -14.696
  807    QG2  ILE  79           QG2      ILE  79  -3.844  -2.171 -15.921
  808    QD1  ILE  79           QD1      ILE  79  -0.523  -0.520 -16.190
  809    H    ASN  80           HN       ASN  80  -1.305  -6.693 -15.480
  810    HA   ASN  80           HA       ASN  80   1.553  -6.219 -16.097
  811   1HB   ASN  80           2HB      ASN  80   0.664  -7.660 -14.129
  812   2HB   ASN  80           3HB      ASN  80   0.189  -8.836 -15.350
  813   1HD2  ASN  80           2HD      ASN  80   3.537  -9.838 -16.039
  814   2HD2  ASN  80           1HD      ASN  80   1.971  -9.762 -16.706
  815    QB   ASN  80           QB       ASN  80   0.426  -8.248 -14.740
  816    QD2  ASN  80           QD2      ASN  80   2.754  -9.800 -16.373
  817    H    ASN  81           HN       ASN  81  -0.137  -5.723 -18.133
  818    HA   ASN  81           HA       ASN  81   0.685  -7.605 -20.181
  819   1HB   ASN  81           2HB      ASN  81  -1.382  -8.675 -19.146
  820   2HB   ASN  81           3HB      ASN  81  -2.289  -7.249 -19.634
  821   1HD2  ASN  81                 ASN  81  -1.090  -8.473 -23.151
  822   2HD2  ASN  81           1HD      ASN  81  -0.294  -7.358 -22.151
  823    QB   ASN  81           QB       ASN  81  -1.836  -7.962 -19.390
  824    QD2  ASN  81           QD2      ASN  81  -0.693  -7.915 -22.650
   
  Start of MODEL           9
 Raw file had 824 H/Q atoms
  Start of MODEL    9
    1   1H    HIS   1           HN2      HIS   1   6.428   1.079 -17.917
    2   2H    HIS   1           HN3      HIS   1   5.761   1.805 -16.587
    3   3H    HIS   1           HN1      HIS   1   6.644   2.700 -17.663
    4    HA   HIS   1           HA       HIS   1   8.491   2.329 -16.557
    5   1HB   HIS   1           2HB      HIS   1   7.005   2.247 -14.590
    6   2HB   HIS   1           3HB      HIS   1   6.745   0.545 -14.840
    7    HD1  HIS   1           HD1      HIS   1   7.753   1.246 -12.265
    8    HD2  HIS   1           HD2      HIS   1  10.443   0.631 -15.326
    9    HE1  HIS   1           HE1      HIS   1   9.951   0.632 -11.186
   10    QB   HIS   1           QB       HIS   1   6.875   1.396 -14.715
   11    H    HIS   2           HN       HIS   2   6.859  -0.850 -16.462
   12    HA   HIS   2           HA       HIS   2   9.364  -2.012 -17.593
   13   1HB   HIS   2           2HB      HIS   2   8.944  -3.972 -16.444
   14   2HB   HIS   2           3HB      HIS   2   8.403  -2.760 -15.322
   15    HD1  HIS   2           HD1      HIS   2   5.575  -2.294 -16.361
   16    HD2  HIS   2           HD2      HIS   2   7.191  -6.062 -15.913
   17    HE1  HIS   2           HE1      HIS   2   3.657  -3.866 -15.956
   18    QB   HIS   2           QB       HIS   2   8.673  -3.366 -15.883
   19    H    SER   3           HN       SER   3   8.995  -3.958 -18.992
   20    HA   SER   3           HA       SER   3   7.281  -3.203 -21.202
   21   1HB   SER   3           2HB      SER   3   8.777  -5.826 -20.877
   22   2HB   SER   3           3HB      SER   3   8.394  -4.960 -22.377
   23    HG   SER   3           HG       SER   3  10.273  -4.030 -22.035
   24    QB   SER   3           QB       SER   3   8.586  -5.394 -21.626
   25    H    GLY   4           HN       GLY   4   5.848  -3.989 -18.725
   26   1HA   GLY   4           1HA      GLY   4   4.142  -6.120 -19.973
   27   2HA   GLY   4           2HA      GLY   4   4.551  -6.197 -18.257
   28    QA   GLY   4           QA       GLY   4   4.346  -6.159 -19.115
   29    H    GLU   5           HN       GLU   5   3.634  -3.535 -20.418
   30    HA   GLU   5           HA       GLU   5   1.350  -2.967 -18.596
   31   1HB   GLU   5           2HB      GLU   5   3.297  -0.909 -19.700
   32   2HB   GLU   5           3HB      GLU   5   1.963  -0.592 -18.604
   33   1HG   GLU   5           2HG      GLU   5   3.015  -1.926 -16.839
   34   2HG   GLU   5           3HG      GLU   5   4.264  -2.471 -17.945
   35    QB   GLU   5           QB       GLU   5   2.629  -0.751 -19.152
   36    QG   GLU   5           QG       GLU   5   3.639  -2.198 -17.392
   37    H    HIS   6           HN       HIS   6   0.032  -1.146 -19.540
   38    HA   HIS   6           HA       HIS   6  -0.295  -1.372 -22.499
   39   1HB   HIS   6           2HB      HIS   6  -2.577  -1.357 -20.506
   40   2HB   HIS   6           3HB      HIS   6  -2.701  -1.555 -22.232
   41    HD1  HIS   6           HD1      HIS   6  -0.257  -3.629 -22.247
   42    HD2  HIS   6           HD2      HIS   6  -3.694  -3.979 -19.995
   43    HE1  HIS   6           HE1      HIS   6  -0.574  -6.083 -21.798
   44    QB   HIS   6           QB       HIS   6  -2.639  -1.457 -21.370
   45    H    PHE   7           HN       PHE   7  -0.766   0.383 -19.538
   46    HA   PHE   7           HA       PHE   7  -1.010   2.936 -21.053
   47   1HB   PHE   7           2HB      PHE   7  -3.180   2.317 -20.094
   48   2HB   PHE   7           3HB      PHE   7  -2.448   2.055 -18.519
   49    HD1  PHE   7          2HD       PHE   7  -3.063   4.700 -21.083
   50    HD2  PHE   7          1HD       PHE   7  -2.242   3.857 -16.988
   51    HE1  PHE   7          2HE       PHE   7  -3.549   7.034 -20.501
   52    HE2  PHE   7          1HE       PHE   7  -2.734   6.188 -16.415
   53    HZ   PHE   7           HZ       PHE   7  -3.384   7.781 -18.166
   54    QB   PHE   7           QB       PHE   7  -2.814   2.186 -19.307
   55    QR   PHE   7           QR       PHE   7  -2.897   5.445 -18.747
   56    H    GLU   8           HN       GLU   8  -0.060   4.754 -20.023
   57    HA   GLU   8           HA       GLU   8   1.835   4.183 -17.791
   58   1HB   GLU   8           2HB      GLU   8   2.409   5.488 -20.464
   59   2HB   GLU   8           3HB      GLU   8   3.403   5.843 -19.058
   60   1HG   GLU   8           2HG      GLU   8   2.833   2.971 -19.800
   61   2HG   GLU   8           3HG      GLU   8   4.106   3.860 -20.628
   62    QB   GLU   8           QB       GLU   8   2.906   5.666 -19.762
   63    QG   GLU   8           QG       GLU   8   3.470   3.416 -20.215
   64    H    GLY   9           HN       GLY   9   2.828   6.640 -17.313
   65   1HA   GLY   9           1HA      GLY   9   2.222   8.899 -16.711
   66   2HA   GLY   9           2HA      GLY   9   0.576   8.573 -17.275
   67    QA   GLY   9           QA       GLY   9   1.399   8.735 -16.994
   68    H    GLU  10           HN       GLU  10  -0.487   6.744 -16.025
   69    HA   GLU  10           HA       GLU  10   0.153   6.903 -13.106
   70   1HB   GLU  10           2HB      GLU  10  -2.646   6.842 -14.288
   71   2HB   GLU  10           3HB      GLU  10  -2.226   7.030 -12.593
   72   1HG   GLU  10           2HG      GLU  10  -1.149   9.213 -13.093
   73   2HG   GLU  10           3HG      GLU  10  -1.522   9.005 -14.802
   74    QB   GLU  10           QB       GLU  10  -2.436   6.937 -13.441
   75    QG   GLU  10           QG       GLU  10  -1.336   9.109 -13.947
   76    H    LYS  11           HN       LYS  11  -0.763   4.971 -11.933
   77    HA   LYS  11           HA       LYS  11  -1.165   2.615 -13.692
   78   1HB   LYS  11           2HB      LYS  11   0.814   2.583 -11.395
   79   2HB   LYS  11           3HB      LYS  11   0.599   1.347 -12.623
   80   1HG   LYS  11           2HG      LYS  11   1.599   4.169 -13.187
   81   2HG   LYS  11           3HG      LYS  11   2.655   2.796 -12.944
   82   1HD   LYS  11           2HD      LYS  11   0.510   2.463 -14.997
   83   2HD   LYS  11           3HD      LYS  11   1.803   3.588 -15.389
   84   1HE   LYS  11           2HE      LYS  11   3.478   1.806 -14.873
   85   2HE   LYS  11           3HE      LYS  11   2.160   0.681 -14.562
   86   1HZ   LYS  11           2HZ      LYS  11   1.691   1.884 -17.043
   87   2HZ   LYS  11           3HZ      LYS  11   3.319   1.408 -17.034
   88   3HZ   LYS  11           1HZ      LYS  11   2.096   0.268 -16.740
   89    QB   LYS  11           QB       LYS  11   0.706   1.965 -12.008
   90    QG   LYS  11           QG       LYS  11   2.128   3.482 -13.066
   91    QD   LYS  11           QD       LYS  11   1.156   3.026 -15.193
   92    QE   LYS  11           QE       LYS  11   2.818   1.243 -14.718
   93    QZ   LYS  11           QZ       LYS  11   2.368   1.186 -16.939
   94    H    VAL  12           HN       VAL  12  -2.347   0.922 -12.625
   95    HA   VAL  12           HA       VAL  12  -3.312   1.635  -9.879
   96    HB   VAL  12           HB       VAL  12  -4.951   0.475 -12.168
   97   1HG1  VAL  12           2HG      VAL  12  -5.744   1.207  -9.319
   98   2HG1  VAL  12           3HG      VAL  12  -6.856   0.683 -10.583
   99   3HG1  VAL  12           1HG      VAL  12  -5.642  -0.431  -9.958
  100   1HG2  VAL  12           1HG      VAL  12  -4.495   2.909 -12.378
  101   2HG2  VAL  12           2HG      VAL  12  -6.191   2.617 -12.010
  102   3HG2  VAL  12           3HG      VAL  12  -5.093   3.165 -10.745
  103    QG1  VAL  12           QG1      VAL  12  -6.081   0.487  -9.953
  104    QG2  VAL  12           QG2      VAL  12  -5.260   2.897 -11.711
  105    QQG  VAL  12           QQG      VAL  12  -5.670   1.692 -10.832
  106    H    PHE  13           HN       PHE  13  -2.725   0.100  -8.477
  107    HA   PHE  13           HA       PHE  13  -2.701  -2.737  -9.413
  108   1HB   PHE  13           2HB      PHE  13  -0.667  -2.070  -7.362
  109   2HB   PHE  13           3HB      PHE  13  -0.555  -3.152  -8.729
  110    HD1  PHE  13          1HD       PHE  13  -0.493   0.479  -7.845
  111    HD2  PHE  13          2HD       PHE  13   0.654  -2.480 -10.688
  112    HE1  PHE  13          1HE       PHE  13   1.129   2.036  -8.835
  113    HE2  PHE  13          2HE       PHE  13   2.307  -0.926 -11.637
  114    HZ   PHE  13           HZ       PHE  13   2.571   1.322 -10.679
  115    QB   PHE  13           QB       PHE  13  -0.611  -2.611  -8.045
  116    QR   PHE  13           QR       PHE  13   0.899  -0.223  -9.751
  117    NH1  ARG  14           NH2      ARG  14 -10.075  -4.073  -7.131
  118    NH2  ARG  14           NH1      ARG  14  -9.437  -6.035  -8.114
  119    H    ARG  14           HN       ARG  14  -2.467  -4.190  -7.364
  120    HA   ARG  14           HA       ARG  14  -4.190  -3.047  -5.180
  121   1HB   ARG  14           2HB      ARG  14  -4.310  -5.642  -6.685
  122   2HB   ARG  14           3HB      ARG  14  -4.658  -5.714  -4.963
  123   1HG   ARG  14           2HG      ARG  14  -6.459  -4.102  -5.181
  124   2HG   ARG  14           3HG      ARG  14  -6.021  -3.751  -6.847
  125   1HD   ARG  14           2HD      ARG  14  -6.884  -5.797  -7.645
  126   2HD   ARG  14           3HD      ARG  14  -6.761  -6.583  -6.068
  127    HE   ARG  14           HE       ARG  14  -8.658  -5.048  -5.329
  128   1HH1  ARG  14           2HH      ARG  14  -9.929  -3.410  -6.378
  129   2HH1  ARG  14           1HH      ARG  14 -10.791  -3.906  -7.805
  130   1HH2  ARG  14           2HH      ARG  14  -8.833  -6.832  -8.104
  131   2HH2  ARG  14           1HH      ARG  14 -10.128  -5.945  -8.830
  132    QB   ARG  14           QB       ARG  14  -4.484  -5.678  -5.824
  133    QG   ARG  14           QG       ARG  14  -6.240  -3.927  -6.014
  134    QD   ARG  14           QD       ARG  14  -6.822  -6.190  -6.856
  135    QH1  ARG  14           QH2      ARG  14 -10.359  -3.658  -7.091
  136    QH2  ARG  14           QH1      ARG  14  -9.480  -6.389  -8.467
  137    H    VAL  15           HN       VAL  15  -3.810  -4.187  -3.047
  138    HA   VAL  15           HA       VAL  15  -0.964  -5.108  -2.797
  139    HB   VAL  15           HB       VAL  15  -2.480  -3.502  -0.706
  140   1HG1  VAL  15           2HG      VAL  15  -0.638  -4.942   0.125
  141   2HG1  VAL  15           3HG      VAL  15   0.465  -4.191  -1.023
  142   3HG1  VAL  15           1HG      VAL  15  -0.228  -3.237   0.287
  143   1HG2  VAL  15           3HG      VAL  15  -0.442  -2.524  -2.738
  144   2HG2  VAL  15           1HG      VAL  15  -2.147  -2.084  -2.685
  145   3HG2  VAL  15           2HG      VAL  15  -1.065  -1.569  -1.395
  146    QG1  VAL  15           QG1      VAL  15  -0.134  -4.124  -0.203
  147    QG2  VAL  15           QG2      VAL  15  -1.218  -2.059  -2.272
  148    QQG  VAL  15           QQG      VAL  15  -0.676  -3.091  -1.238
  149    H    ASN  16           HN       ASN  16  -0.722  -6.989  -1.634
  150    HA   ASN  16           HA       ASN  16  -3.258  -8.137  -0.580
  151   1HB   ASN  16           2HB      ASN  16  -0.592  -9.316  -1.361
  152   2HB   ASN  16           3HB      ASN  16  -1.555 -10.155  -0.144
  153   1HD2  ASN  16           2HD      ASN  16  -3.984 -11.277  -2.456
  154   2HD2  ASN  16           1HD      ASN  16  -3.547 -11.162  -0.811
  155    QB   ASN  16           QB       ASN  16  -1.073  -9.736  -0.752
  156    QD2  ASN  16           QD2      ASN  16  -3.766 -11.219  -1.634
  157    H    VAL  17           HN       VAL  17  -3.578  -8.378   1.498
  158    HA   VAL  17           HA       VAL  17  -1.355  -7.709   3.375
  159    HB   VAL  17           HB       VAL  17  -4.323  -7.017   3.577
  160   1HG1  VAL  17           3HG      VAL  17  -2.062  -6.588   5.553
  161   2HG1  VAL  17           1HG      VAL  17  -3.707  -5.987   5.750
  162   3HG1  VAL  17           2HG      VAL  17  -3.393  -7.715   5.766
  163   1HG2  VAL  17           1HG      VAL  17  -2.969  -5.491   2.162
  164   2HG2  VAL  17           2HG      VAL  17  -3.491  -4.692   3.642
  165   3HG2  VAL  17           3HG      VAL  17  -1.836  -5.275   3.490
  166    QG1  VAL  17           QG1      VAL  17  -3.055  -6.764   5.690
  167    QG2  VAL  17           QG2      VAL  17  -2.766  -5.153   3.098
  168    QQG  VAL  17           QQG      VAL  17  -2.910  -5.959   4.394
  169    H    GLU  18           HN       GLU  18  -0.987  -9.926   3.131
  170    HA   GLU  18           HA       GLU  18  -3.128 -11.728   4.102
  171   1HB   GLU  18           2HB      GLU  18  -1.016 -11.988   2.197
  172   2HB   GLU  18           3HB      GLU  18  -0.678 -13.122   3.497
  173   1HG   GLU  18           2HG      GLU  18  -2.137 -14.097   1.695
  174   2HG   GLU  18           3HG      GLU  18  -2.906 -14.117   3.273
  175    QB   GLU  18           QB       GLU  18  -0.847 -12.555   2.847
  176    QG   GLU  18           QG       GLU  18  -2.522 -14.107   2.484
  177    H    ASP  19           HN       ASP  19  -0.163 -10.207   5.144
  178    HA   ASP  19           HA       ASP  19  -0.648 -11.605   7.723
  179   1HB   ASP  19           2HB      ASP  19   1.423 -12.506   7.995
  180   2HB   ASP  19           3HB      ASP  19   1.494 -12.402   6.278
  181    QB   ASP  19           QB       ASP  19   1.458 -12.454   7.137
  182    H    GLU  20           HN       GLU  20   1.298 -10.484   9.141
  183    HA   GLU  20           HA       GLU  20   0.098  -7.822   9.566
  184   1HB   GLU  20           2HB      GLU  20   2.120  -9.505  11.078
  185   2HB   GLU  20           3HB      GLU  20   1.433  -8.017  11.662
  186   1HG   GLU  20           2HG      GLU  20  -0.376 -10.267  10.781
  187   2HG   GLU  20           3HG      GLU  20   0.314 -10.275  12.393
  188    QB   GLU  20           QB       GLU  20   1.776  -8.761  11.370
  189    QG   GLU  20           QG       GLU  20  -0.031 -10.271  11.586
  190    H    ASN  21           HN       ASN  21   2.972  -9.099   8.175
  191    HA   ASN  21           HA       ASN  21   4.640  -6.775   8.571
  192   1HB   ASN  21           2HB      ASN  21   5.320  -9.177   7.715
  193   2HB   ASN  21           3HB      ASN  21   4.872  -8.557   6.130
  194   1HD2  ASN  21           2HD      ASN  21   7.579  -6.211   6.023
  195   2HD2  ASN  21           1HD      ASN  21   6.072  -6.615   5.361
  196    QB   ASN  21           QB       ASN  21   5.096  -8.866   6.922
  197    QD2  ASN  21           QD2      ASN  21   6.825  -6.414   5.692
  198    H    ASP  22           HN       ASP  22   2.755  -7.980   5.806
  199    HA   ASP  22           HA       ASP  22   2.910  -5.912   3.993
  200   1HB   ASP  22           2HB      ASP  22   0.589  -7.620   4.904
  201   2HB   ASP  22           3HB      ASP  22   0.295  -6.390   3.705
  202    QB   ASP  22           QB       ASP  22   0.442  -7.005   4.305
  203    H    ILE  23           HN       ILE  23   0.951  -5.897   6.937
  204    HA   ILE  23           HA       ILE  23  -0.190  -3.283   6.383
  205    HB   ILE  23           HB       ILE  23  -0.021  -4.786   9.038
  206   1HG1  ILE  23           2HG      ILE  23  -2.188  -4.812   6.897
  207   2HG1  ILE  23           3HG      ILE  23  -1.007  -6.096   7.127
  208   1HG2  ILE  23           3HG      ILE  23  -0.663  -2.345   9.127
  209   2HG2  ILE  23           1HG      ILE  23  -1.969  -2.673   7.991
  210   3HG2  ILE  23           2HG      ILE  23  -1.988  -3.400   9.595
  211   1HD1  ILE  23           2HD      ILE  23  -2.994  -5.180   9.219
  212   2HD1  ILE  23           3HD      ILE  23  -3.114  -6.645   8.255
  213   3HD1  ILE  23           1HD      ILE  23  -1.809  -6.464   9.413
  214    QG1  ILE  23           QG1      ILE  23  -1.598  -5.454   7.013
  215    QG2  ILE  23           QG2      ILE  23  -1.540  -2.806   8.904
  216    QD1  ILE  23           QD1      ILE  23  -2.639  -6.097   8.962
  217    H    SER  24           HN       SER  24   2.119  -4.395   8.862
  218    HA   SER  24           HA       SER  24   2.993  -1.963   9.902
  219   1HB   SER  24           2HB      SER  24   4.800  -4.312   9.142
  220   2HB   SER  24           3HB      SER  24   5.099  -3.114  10.425
  221    HG   SER  24           HG       SER  24   3.300  -5.233  10.334
  222    QB   SER  24           QB       SER  24   4.949  -3.714   9.784
  223    H    GLU  25           HN       GLU  25   4.239  -3.537   6.952
  224    HA   GLU  25           HA       GLU  25   6.017  -1.406   6.307
  225   1HB   GLU  25           2HB      GLU  25   5.031  -3.854   5.063
  226   2HB   GLU  25           3HB      GLU  25   5.268  -2.599   3.876
  227   1HG   GLU  25           2HG      GLU  25   7.363  -3.938   4.237
  228   2HG   GLU  25           3HG      GLU  25   7.596  -2.254   4.684
  229    QB   GLU  25           QB       GLU  25   5.149  -3.226   4.470
  230    QG   GLU  25           QG       GLU  25   7.479  -3.096   4.460
  231    H    LEU  26           HN       LEU  26   2.575  -1.938   5.242
  232    HA   LEU  26           HA       LEU  26   2.484   0.344   3.566
  233   1HB   LEU  26           2HB      LEU  26   0.648  -1.511   4.786
  234   2HB   LEU  26           3HB      LEU  26   0.030   0.106   5.059
  235    HG   LEU  26           HG       LEU  26  -0.832  -0.840   3.002
  236   1HD1  LEU  26           1HD      LEU  26   1.129   1.441   2.538
  237   2HD1  LEU  26           2HD      LEU  26  -0.182   1.017   1.448
  238   3HD1  LEU  26           3HD      LEU  26  -0.539   1.598   3.073
  239   1HD2  LEU  26           1HD      LEU  26   2.032  -0.975   2.059
  240   2HD2  LEU  26           2HD      LEU  26   0.968  -2.342   2.380
  241   3HD2  LEU  26           3HD      LEU  26   0.616  -1.242   1.049
  242    QB   LEU  26           QB       LEU  26   0.339  -0.703   4.922
  243    QD1  LEU  26           QD1      LEU  26   0.136   1.352   2.353
  244    QD2  LEU  26           QD2      LEU  26   1.205  -1.520   1.829
  245    QQD  LEU  26           QQD      LEU  26   0.671  -0.084   2.091
  246    H    HIS  27           HN       HIS  27   1.698   0.036   6.998
  247    HA   HIS  27           HA       HIS  27   0.872   2.465   7.846
  248   1HB   HIS  27           2HB      HIS  27   2.718   0.458   8.960
  249   2HB   HIS  27           3HB      HIS  27   2.848   2.014   9.711
  250    HD1  HIS  27           HD1      HIS  27   0.238   2.958  10.160
  251    HD2  HIS  27           HD2      HIS  27   0.880  -1.092  10.384
  252    HE1  HIS  27           HE1      HIS  27  -1.684   2.002  11.490
  253    QB   HIS  27           QB       HIS  27   2.782   1.236   9.336
  254    H    GLU  28           HN       GLU  28   4.280   1.773   7.188
  255    HA   GLU  28           HA       GLU  28   5.376   4.291   7.750
  256   1HB   GLU  28           2HB      GLU  28   6.704   2.312   7.122
  257   2HB   GLU  28           3HB      GLU  28   6.078   2.369   5.484
  258   1HG   GLU  28           2HG      GLU  28   8.276   3.414   5.498
  259   2HG   GLU  28           3HG      GLU  28   7.095   4.694   5.278
  260    QB   GLU  28           QB       GLU  28   6.391   2.340   6.303
  261    QG   GLU  28           QG       GLU  28   7.685   4.055   5.388
  262    H    LEU  29           HN       LEU  29   4.588   3.240   4.470
  263    HA   LEU  29           HA       LEU  29   4.622   5.724   3.158
  264   1HB   LEU  29           2HB      LEU  29   4.362   3.495   2.026
  265   2HB   LEU  29           3HB      LEU  29   2.743   3.363   2.682
  266    HG   LEU  29           HG       LEU  29   2.020   5.351   1.398
  267   1HD1  LEU  29           3HD      LEU  29   4.859   5.337   0.299
  268   2HD1  LEU  29           1HD      LEU  29   3.540   6.347  -0.288
  269   3HD1  LEU  29           2HD      LEU  29   4.165   6.583   1.335
  270   1HD2  LEU  29           1HD      LEU  29   3.497   3.300  -0.293
  271   2HD2  LEU  29           2HD      LEU  29   1.854   3.133   0.321
  272   3HD2  LEU  29           3HD      LEU  29   2.223   4.371  -0.877
  273    QB   LEU  29           QB       LEU  29   3.553   3.429   2.354
  274    QD1  LEU  29           QD1      LEU  29   4.188   6.089   0.449
  275    QD2  LEU  29           QD2      LEU  29   2.524   3.601  -0.283
  276    QQD  LEU  29           QQD      LEU  29   3.356   4.845   0.083
  277    H    ALA  30           HN       ALA  30   1.882   4.075   4.615
  278    HA   ALA  30           HA       ALA  30  -0.189   5.875   4.162
  279   1HB   ALA  30           2HB      ALA  30   0.380   4.336   6.715
  280   2HB   ALA  30           3HB      ALA  30  -1.175   5.038   6.289
  281   3HB   ALA  30           1HB      ALA  30  -0.501   3.732   5.316
  282    QB   ALA  30           QB       ALA  30  -0.432   4.368   6.107
  283    H    SER  31           HN       SER  31   2.054   5.955   6.922
  284    HA   SER  31           HA       SER  31   1.195   8.118   8.387
  285   1HB   SER  31           2HB      SER  31   4.082   7.689   7.493
  286   2HB   SER  31           3HB      SER  31   3.550   8.546   8.954
  287    HG   SER  31           HG       SER  31   3.431   5.809   8.325
  288    QB   SER  31           QB       SER  31   3.816   8.118   8.223
  289    H    THR  32           HN       THR  32   2.761   8.170   5.299
  290    HA   THR  32           HA       THR  32   1.898  10.990   4.863
  291    HB   THR  32           HB       THR  32   4.623   9.720   4.274
  292    HG1  THR  32          1HG       THR  32   3.524  11.040   6.259
  293   1HG2  THR  32           3HG      THR  32   3.888  11.271   2.383
  294   2HG2  THR  32           1HG      THR  32   3.633  12.528   3.590
  295   3HG2  THR  32           2HG      THR  32   5.248  11.890   3.305
  296    QG2  THR  32           QG2      THR  32   4.257  11.896   3.093
  297    NH1  ARG  33           NH1      ARG  33  -4.672   8.920   0.504
  298    NH2  ARG  33           NH2      ARG  33  -6.309   7.752   1.613
  299    H    ARG  33           HN       ARG  33   0.234   9.195   4.192
  300    HA   ARG  33           HA       ARG  33   0.584   7.651   1.871
  301   1HB   ARG  33           2HB      ARG  33  -1.397   7.731   3.570
  302   2HB   ARG  33           3HB      ARG  33  -2.062   8.966   2.503
  303   1HG   ARG  33           2HG      ARG  33  -1.846   7.392   0.585
  304   2HG   ARG  33           3HG      ARG  33  -1.212   6.170   1.663
  305   1HD   ARG  33           2HD      ARG  33  -3.733   6.040   1.076
  306   2HD   ARG  33           3HD      ARG  33  -3.275   5.856   2.767
  307    HE   ARG  33           HE       ARG  33  -4.087   8.132   3.175
  308   1HH1  ARG  33           2HH      ARG  33  -3.690   9.145   0.404
  309   2HH1  ARG  33           1HH      ARG  33  -5.333   9.295  -0.155
  310   1HH2  ARG  33           2HH      ARG  33  -6.568   7.139   2.373
  311   2HH2  ARG  33           1HH      ARG  33  -7.013   8.081   0.966
  312    QB   ARG  33           QB       ARG  33  -1.729   8.349   3.036
  313    QG   ARG  33           QG       ARG  33  -1.529   6.781   1.124
  314    QD   ARG  33           QD       ARG  33  -3.505   5.948   1.921
  315    QH1  ARG  33           QH1      ARG  33  -4.512   9.220   0.125
  316    QH2  ARG  33           QH2      ARG  33  -6.790   7.610   1.669
  317    H    GLN  34           HN       GLN  34   1.916   9.150   0.592
  318    HA   GLN  34           HA       GLN  34   0.837  11.474  -0.682
  319   1HB   GLN  34           2HB      GLN  34   2.932   9.542  -1.763
  320   2HB   GLN  34           3HB      GLN  34   2.622  11.156  -2.388
  321   1HG   GLN  34           2HG      GLN  34   3.072  11.945   0.073
  322   2HG   GLN  34           3HG      GLN  34   3.816  10.361   0.275
  323   1HE2  GLN  34           2HE      GLN  34   5.877  13.235  -1.605
  324   2HE2  GLN  34           1HE      GLN  34   4.493  13.523  -0.664
  325    QB   GLN  34           QB       GLN  34   2.777  10.349  -2.076
  326    QG   GLN  34           QG       GLN  34   3.444  11.153   0.174
  327    QE2  GLN  34           QE2      GLN  34   5.185  13.379  -1.134
  328    H    ILE  35           HN       ILE  35   0.041   8.257  -1.014
  329    HA   ILE  35           HA       ILE  35  -1.155   8.611  -3.730
  330    HB   ILE  35           HB       ILE  35  -1.509   6.076  -3.557
  331   1HG1  ILE  35           2HG      ILE  35   0.396   5.102  -1.934
  332   2HG1  ILE  35           3HG      ILE  35   0.028   6.544  -1.011
  333   1HG2  ILE  35           1HG      ILE  35   0.270   7.075  -4.910
  334   2HG2  ILE  35           2HG      ILE  35   1.342   7.082  -3.511
  335   3HG2  ILE  35           3HG      ILE  35   0.779   5.554  -4.186
  336   1HD1  ILE  35           1HD      ILE  35  -1.992   4.453  -1.882
  337   2HD1  ILE  35           2HD      ILE  35  -1.351   4.653  -0.254
  338   3HD1  ILE  35           3HD      ILE  35  -2.368   5.902  -0.962
  339    QG1  ILE  35           QG1      ILE  35   0.211   5.822  -1.472
  340    QG2  ILE  35           QG2      ILE  35   0.797   6.570  -4.203
  341    QD1  ILE  35           QD1      ILE  35  -1.903   5.003  -1.033
  342    H    ASP  36           HN       ASP  36  -3.311   7.132  -3.804
  343    HA   ASP  36           HA       ASP  36  -4.739   7.667  -1.245
  344   1HB   ASP  36           2HB      ASP  36  -5.322   9.420  -2.993
  345   2HB   ASP  36           3HB      ASP  36  -6.054   8.122  -3.929
  346    QB   ASP  36           QB       ASP  36  -5.688   8.771  -3.461
  347    H    PHE  37           HN       PHE  37  -6.462   6.361  -0.785
  348    HA   PHE  37           HA       PHE  37  -6.284   3.695  -2.136
  349   1HB   PHE  37           2HB      PHE  37  -7.007   4.430   0.727
  350   2HB   PHE  37           3HB      PHE  37  -7.223   2.821   0.069
  351    HD1  PHE  37          2HD       PHE  37  -4.842   2.360  -1.490
  352    HD2  PHE  37          1HD       PHE  37  -5.208   4.325   2.253
  353    HE1  PHE  37          2HE       PHE  37  -2.531   1.735  -0.934
  354    HE2  PHE  37          1HE       PHE  37  -2.915   3.653   2.838
  355    HZ   PHE  37           HZ       PHE  37  -1.556   2.414   1.208
  356    QB   PHE  37           QB       PHE  37  -7.115   3.625   0.398
  357    QR   PHE  37           QR       PHE  37  -3.873   3.018   0.667
  358    CH2  TRP  38           CH2      TRP  38  -9.117   3.599  -8.792
  359    H    TRP  38           HN       TRP  38  -8.197   2.435  -2.090
  360    HA   TRP  38           HA       TRP  38 -10.693   4.068  -2.415
  361   1HB   TRP  38           2HB      TRP  38  -9.530   1.765  -3.913
  362   2HB   TRP  38           3HB      TRP  38 -11.252   1.735  -3.681
  363    HD1  TRP  38           HD1      TRP  38 -12.216   4.572  -4.313
  364    HE1  TRP  38           HE1      TRP  38 -12.085   5.500  -6.634
  365    HE3  TRP  38           HE3      TRP  38  -8.468   1.739  -6.021
  366    HZ2  TRP  38           HZ2      TRP  38 -10.618   5.112  -8.957
  367    HZ3  TRP  38           HZ3      TRP  38  -7.717   2.046  -8.359
  368    HH2  TRP  38           HH2      TRP  38  -8.784   3.712  -9.815
  369    QB   TRP  38           QB       TRP  38 -10.391   1.750  -3.797
  370    H    LYS  39           HN       LYS  39  -9.495   0.846  -1.616
  371    HA   LYS  39           HA       LYS  39 -11.267   0.753   0.744
  372   1HB   LYS  39           2HB      LYS  39 -12.630  -0.275  -0.952
  373   2HB   LYS  39           3HB      LYS  39 -11.315  -1.236  -1.554
  374   1HG   LYS  39           2HG      LYS  39 -11.350  -2.064   1.071
  375   2HG   LYS  39           3HG      LYS  39 -13.034  -1.621   0.868
  376   1HD   LYS  39           2HD      LYS  39 -13.133  -3.818   0.173
  377   2HD   LYS  39           3HD      LYS  39 -12.814  -3.043  -1.370
  378   1HE   LYS  39           2HE      LYS  39 -10.889  -4.548   0.423
  379   2HE   LYS  39           3HE      LYS  39 -11.278  -4.864  -1.261
  380   1HZ   LYS  39           3HZ      LYS  39 -10.196  -2.255  -0.962
  381   2HZ   LYS  39           1HZ      LYS  39  -9.158  -3.388  -0.288
  382   3HZ   LYS  39           2HZ      LYS  39  -9.647  -3.517  -1.920
  383    QB   LYS  39           QB       LYS  39 -11.972  -0.756  -1.252
  384    QG   LYS  39           QG       LYS  39 -12.191  -1.842   0.969
  385    QD   LYS  39           QD       LYS  39 -12.974  -3.431  -0.598
  386    QE   LYS  39           QE       LYS  39 -11.083  -4.706  -0.419
  387    QZ   LYS  39           QZ       LYS  39  -9.667  -3.053  -1.056
  388    HA   PRO  40           HA       PRO  40 -11.055   0.388   2.808
  389   1HB   PRO  40           2HB      PRO  40  -9.053   0.791   4.751
  390   2HB   PRO  40           3HB      PRO  40 -10.255  -0.505   4.772
  391   1HG   PRO  40           2HG      PRO  40  -7.377  -0.589   3.883
  392   2HG   PRO  40           3HG      PRO  40  -8.335  -1.850   4.669
  393   1HD   PRO  40           2HD      PRO  40  -7.776  -1.902   1.993
  394   2HD   PRO  40           3HD      PRO  40  -9.281  -2.570   2.653
  395    QB   PRO  40           QB       PRO  40  -9.654   0.144   4.761
  396    QG   PRO  40           QG       PRO  40  -7.856  -1.219   4.276
  397    QD   PRO  40           QD       PRO  40  -8.529  -2.236   2.323
  398    H    ASP  41           HN       ASP  41 -10.080   2.499   4.234
  399    HA   ASP  41           HA       ASP  41  -8.986   4.284   2.105
  400   1HB   ASP  41           2HB      ASP  41 -10.074   6.092   3.373
  401   2HB   ASP  41           3HB      ASP  41 -11.246   4.815   3.062
  402    QB   ASP  41           QB       ASP  41 -10.660   5.454   3.218
  403    H    SER  42           HN       SER  42  -8.836   3.685   5.611
  404    HA   SER  42           HA       SER  42  -6.058   4.811   5.576
  405   1HB   SER  42           2HB      SER  42  -8.099   4.643   7.840
  406   2HB   SER  42           3HB      SER  42  -6.454   5.289   8.002
  407    HG   SER  42           HG       SER  42  -8.642   6.269   6.490
  408    QB   SER  42           QB       SER  42  -7.276   4.966   7.921
  409    H    VAL  43           HN       VAL  43  -4.442   3.599   6.744
  410    HA   VAL  43           HA       VAL  43  -5.206   0.749   7.043
  411    HB   VAL  43           HB       VAL  43  -3.424   1.236   5.441
  412   1HG1  VAL  43           3HG      VAL  43  -1.877   2.278   7.833
  413   2HG1  VAL  43           1HG      VAL  43  -1.212   2.017   6.226
  414   3HG1  VAL  43           2HG      VAL  43  -2.457   3.234   6.476
  415   1HG2  VAL  43           1HG      VAL  43  -3.397  -0.935   6.602
  416   2HG2  VAL  43           2HG      VAL  43  -1.759  -0.393   6.260
  417   3HG2  VAL  43           3HG      VAL  43  -2.410  -0.252   7.888
  418    QG1  VAL  43           QG1      VAL  43  -1.849   2.510   6.845
  419    QG2  VAL  43           QG2      VAL  43  -2.522  -0.527   6.917
  420    QQG  VAL  43           QQG      VAL  43  -2.185   0.992   6.881
  421    H    THR  44           HN       THR  44  -6.211   1.966   8.980
  422    HA   THR  44           HA       THR  44  -4.328   2.017  11.284
  423    HB   THR  44           HB       THR  44  -6.325   3.148  12.427
  424    HG1  THR  44          1HG       THR  44  -8.125   3.092  11.331
  425   1HG2  THR  44           3HG      THR  44  -5.551   4.353   9.728
  426   2HG2  THR  44           1HG      THR  44  -6.194   5.237  11.107
  427   3HG2  THR  44           2HG      THR  44  -4.584   4.528  11.186
  428    QG2  THR  44           QG2      THR  44  -5.443   4.707  10.673
  429    H    GLN  45           HN       GLN  45  -7.721   0.993  10.790
  430    HA   GLN  45           HA       GLN  45  -7.166  -1.279  12.657
  431   1HB   GLN  45           2HB      GLN  45  -9.824  -0.336  11.511
  432   2HB   GLN  45           3HB      GLN  45  -9.620  -1.610  12.700
  433   1HG   GLN  45           2HG      GLN  45 -10.094   0.212  14.093
  434   2HG   GLN  45           3HG      GLN  45  -8.334   0.267  14.065
  435   1HE2  GLN  45           2HE      GLN  45 -10.316   2.983  11.704
  436   2HE2  GLN  45           1HE      GLN  45 -10.983   1.439  11.917
  437    QB   GLN  45           QB       GLN  45  -9.721  -0.973  12.106
  438    QG   GLN  45           QG       GLN  45  -9.214   0.240  14.079
  439    QE2  GLN  45           QE2      GLN  45 -10.650   2.211  11.810
  440    H    ILE  46           HN       ILE  46  -5.819  -1.711  10.523
  441    HA   ILE  46           HA       ILE  46  -7.486  -3.441   8.731
  442    HB   ILE  46           HB       ILE  46  -4.779  -2.197   8.319
  443   1HG1  ILE  46           2HG      ILE  46  -6.310  -0.480   8.103
  444   2HG1  ILE  46           3HG      ILE  46  -5.919  -0.976   6.456
  445   1HG2  ILE  46           3HG      ILE  46  -6.357  -3.922   6.420
  446   2HG2  ILE  46           1HG      ILE  46  -4.888  -3.051   5.997
  447   3HG2  ILE  46           2HG      ILE  46  -4.827  -4.352   7.177
  448   1HD1  ILE  46           3HD      ILE  46  -7.908  -2.449   6.499
  449   2HD1  ILE  46           1HD      ILE  46  -8.327  -1.771   8.070
  450   3HD1  ILE  46           2HD      ILE  46  -8.287  -0.733   6.649
  451    QG1  ILE  46           QG1      ILE  46  -6.114  -0.728   7.279
  452    QG2  ILE  46           QG2      ILE  46  -5.357  -3.775   6.531
  453    QD1  ILE  46           QD1      ILE  46  -8.175  -1.651   7.072
  454    H    LYS  47           HN       LYS  47  -6.994  -5.547   8.487
  455    HA   LYS  47           HA       LYS  47  -4.704  -6.656  10.031
  456   1HB   LYS  47           2HB      LYS  47  -7.629  -7.375  10.199
  457   2HB   LYS  47           3HB      LYS  47  -6.428  -8.596  10.555
  458   1HG   LYS  47           2HG      LYS  47  -6.513  -5.866  11.903
  459   2HG   LYS  47           3HG      LYS  47  -7.263  -7.299  12.580
  460   1HD   LYS  47           2HD      LYS  47  -5.276  -7.693  13.603
  461   2HD   LYS  47           3HD      LYS  47  -4.673  -8.177  12.030
  462   1HE   LYS  47           2HE      LYS  47  -3.965  -5.818  11.602
  463   2HE   LYS  47           3HE      LYS  47  -4.531  -5.369  13.198
  464   1HZ   LYS  47           1HZ      LYS  47  -2.807  -7.592  13.416
  465   2HZ   LYS  47           2HZ      LYS  47  -2.056  -6.436  12.437
  466   3HZ   LYS  47           3HZ      LYS  47  -2.574  -6.013  14.008
  467    QB   LYS  47           QB       LYS  47  -7.028  -7.986  10.378
  468    QG   LYS  47           QG       LYS  47  -6.888  -6.582  12.242
  469    QD   LYS  47           QD       LYS  47  -4.975  -7.935  12.817
  470    QE   LYS  47           QE       LYS  47  -4.248  -5.594  12.400
  471    QZ   LYS  47           QZ       LYS  47  -2.479  -6.681  13.287
  472    HA   PRO  48           HA       PRO  48  -3.902  -9.399   6.641
  473   1HB   PRO  48           2HB      PRO  48  -4.574 -11.755   8.363
  474   2HB   PRO  48           3HB      PRO  48  -3.134 -11.440   7.406
  475   1HG   PRO  48           2HG      PRO  48  -3.072 -11.136  10.086
  476   2HG   PRO  48           3HG      PRO  48  -2.190 -10.014   9.036
  477   1HD   PRO  48           2HD      PRO  48  -4.795  -9.608  10.468
  478   2HD   PRO  48           3HD      PRO  48  -3.499  -8.436  10.144
  479    QB   PRO  48           QB       PRO  48  -3.853 -11.598   7.885
  480    QG   PRO  48           QG       PRO  48  -2.631 -10.575   9.561
  481    QD   PRO  48           QD       PRO  48  -4.148  -9.022  10.306
  482    H    HIS  49           HN       HIS  49  -4.900 -10.629   5.027
  483    HA   HIS  49           HA       HIS  49  -6.667 -11.336   3.676
  484   1HB   HIS  49           2HB      HIS  49  -8.159 -11.942   6.223
  485   2HB   HIS  49           3HB      HIS  49  -8.347 -12.709   4.670
  486    HD1  HIS  49           HD1      HIS  49  -5.506 -13.376   4.025
  487    HD2  HIS  49           HD2      HIS  49  -7.058 -14.017   7.790
  488    HE1  HIS  49           HE1      HIS  49  -4.063 -15.132   5.111
  489    QB   HIS  49           QB       HIS  49  -8.252 -12.326   5.447
  490    H    SER  50           HN       SER  50  -6.504  -8.717   4.046
  491    HA   SER  50           HA       SER  50  -9.309  -7.732   4.455
  492   1HB   SER  50           2HB      SER  50  -8.032  -5.470   4.664
  493   2HB   SER  50           3HB      SER  50  -7.780  -6.633   5.984
  494    HG   SER  50           HG       SER  50  -5.787  -6.922   5.334
  495    QB   SER  50           QB       SER  50  -7.905  -6.052   5.324
  496    H    THR  51           HN       THR  51  -6.406  -6.959   2.666
  497    HA   THR  51           HA       THR  51  -5.968  -6.834   0.353
  498    HB   THR  51           HB       THR  51  -8.845  -6.661  -0.383
  499    HG1  THR  51          1HG       THR  51  -9.107  -8.379   0.880
  500   1HG2  THR  51           3HG      THR  51  -6.959  -6.808  -2.101
  501   2HG2  THR  51           1HG      THR  51  -6.527  -8.368  -1.404
  502   3HG2  THR  51           2HG      THR  51  -8.079  -8.163  -2.206
  503    QG2  THR  51           QG2      THR  51  -7.188  -7.780  -1.903
  504    H    VAL  52           HN       VAL  52  -5.458  -4.978  -0.659
  505    HA   VAL  52           HA       VAL  52  -7.194  -2.592  -0.134
  506    HB   VAL  52           HB       VAL  52  -4.186  -2.418  -0.158
  507   1HG1  VAL  52           2HG      VAL  52  -6.363  -0.632   0.989
  508   2HG1  VAL  52           3HG      VAL  52  -4.633  -0.323   1.100
  509   3HG1  VAL  52           1HG      VAL  52  -5.429  -0.321  -0.470
  510   1HG2  VAL  52           1HG      VAL  52  -5.956  -2.851   2.277
  511   2HG2  VAL  52           2HG      VAL  52  -4.756  -3.976   1.660
  512   3HG2  VAL  52           3HG      VAL  52  -4.248  -2.435   2.334
  513    QG1  VAL  52           QG1      VAL  52  -5.475  -0.425   0.539
  514    QG2  VAL  52           QG2      VAL  52  -4.987  -3.087   2.090
  515    QQG  VAL  52           QQG      VAL  52  -5.232  -1.757   1.315
  516    H    ASP  53           HN       ASP  53  -7.619  -1.301  -1.882
  517    HA   ASP  53           HA       ASP  53  -5.929  -1.822  -4.325
  518   1HB   ASP  53           2HB      ASP  53  -8.463  -0.292  -4.667
  519   2HB   ASP  53           3HB      ASP  53  -7.784  -1.558  -5.676
  520    QB   ASP  53           QB       ASP  53  -8.123  -0.925  -5.172
  521    H    PHE  54           HN       PHE  54  -4.986   0.079  -5.338
  522    HA   PHE  54           HA       PHE  54  -5.472   2.641  -3.943
  523   1HB   PHE  54           2HB      PHE  54  -3.057   3.060  -3.630
  524   2HB   PHE  54           3HB      PHE  54  -3.589   1.646  -2.746
  525    HD1  PHE  54          2HD       PHE  54  -3.387  -0.660  -4.218
  526    HD2  PHE  54          1HD       PHE  54  -1.006   2.843  -4.683
  527    HE1  PHE  54          2HE       PHE  54  -1.551  -2.017  -5.103
  528    HE2  PHE  54          1HE       PHE  54   0.828   1.466  -5.572
  529    HZ   PHE  54           HZ       PHE  54   0.556  -0.961  -5.784
  530    QB   PHE  54           QB       PHE  54  -3.323   2.353  -3.188
  531    QR   PHE  54           QR       PHE  54  -1.279   0.408  -4.894
  532    NH1  ARG  55           NH2      ARG  55  -7.759   6.209  -3.967
  533    NH2  ARG  55           NH1      ARG  55  -8.916   7.796  -5.130
  534    H    ARG  55           HN       ARG  55  -4.342   4.456  -4.955
  535    HA   ARG  55           HA       ARG  55  -4.311   4.207  -7.936
  536   1HB   ARG  55           2HB      ARG  55  -5.502   6.214  -6.048
  537   2HB   ARG  55           3HB      ARG  55  -4.878   6.809  -7.577
  538   1HG   ARG  55           2HG      ARG  55  -6.382   5.503  -8.848
  539   2HG   ARG  55           3HG      ARG  55  -6.751   4.441  -7.493
  540   1HD   ARG  55           2HD      ARG  55  -7.365   7.394  -7.289
  541   2HD   ARG  55           3HD      ARG  55  -8.466   6.327  -8.159
  542    HE   ARG  55           HE       ARG  55  -8.646   4.975  -6.049
  543   1HH1  ARG  55           2HH      ARG  55  -7.255   5.346  -3.980
  544   2HH1  ARG  55           1HH      ARG  55  -7.840   6.726  -3.104
  545   1HH2  ARG  55           2HH      ARG  55  -9.349   8.079  -5.986
  546   2HH2  ARG  55           1HH      ARG  55  -8.945   8.407  -4.325
  547    QB   ARG  55           QB       ARG  55  -5.189   6.511  -6.813
  548    QG   ARG  55           QG       ARG  55  -6.567   4.972  -8.171
  549    QD   ARG  55           QD       ARG  55  -7.915   6.860  -7.725
  550    QH1  ARG  55           QH2      ARG  55  -7.548   6.036  -3.541
  551    QH2  ARG  55           QH1      ARG  55  -9.148   8.242  -5.156
  552    H    VAL  56           HN       VAL  56  -2.412   4.650  -8.839
  553    HA   VAL  56           HA       VAL  56  -0.545   6.459  -7.374
  554    HB   VAL  56           HB       VAL  56   0.274   4.155  -9.172
  555   1HG1  VAL  56           2HG      VAL  56   1.724   5.749  -7.034
  556   2HG1  VAL  56           3HG      VAL  56   2.420   4.430  -7.969
  557   3HG1  VAL  56           1HG      VAL  56   1.936   5.930  -8.767
  558   1HG2  VAL  56           3HG      VAL  56  -0.070   4.177  -6.151
  559   2HG2  VAL  56           1HG      VAL  56  -0.983   3.194  -7.295
  560   3HG2  VAL  56           2HG      VAL  56   0.733   2.901  -7.058
  561    QG1  VAL  56           QG1      VAL  56   2.027   5.370  -7.923
  562    QG2  VAL  56           QG2      VAL  56  -0.107   3.424  -6.834
  563    QQG  VAL  56           QQG      VAL  56   0.960   4.397  -7.379
  564    H    LYS  57           HN       LYS  57   0.215   8.084  -8.555
  565    HA   LYS  57           HA       LYS  57  -0.321   8.153 -11.484
  566   1HB   LYS  57           2HB      LYS  57  -0.695  10.662 -11.143
  567   2HB   LYS  57           3HB      LYS  57  -1.957   9.624 -10.492
  568   1HG   LYS  57           2HG      LYS  57  -0.684   9.712  -8.262
  569   2HG   LYS  57           3HG      LYS  57   0.292  10.974  -8.992
  570   1HD   LYS  57           2HD      LYS  57  -1.498  12.497  -9.085
  571   2HD   LYS  57           3HD      LYS  57  -2.712  11.227  -8.993
  572   1HE   LYS  57           2HE      LYS  57  -2.414  12.537  -6.834
  573   2HE   LYS  57           3HE      LYS  57  -2.217  10.797  -6.668
  574   1HZ   LYS  57           2HZ      LYS  57   0.273  11.957  -7.340
  575   2HZ   LYS  57           3HZ      LYS  57  -0.383  12.760  -5.971
  576   3HZ   LYS  57           1HZ      LYS  57  -0.147  11.072  -5.967
  577    QB   LYS  57           QB       LYS  57  -1.326  10.143 -10.817
  578    QG   LYS  57           QG       LYS  57  -0.196  10.343  -8.627
  579    QD   LYS  57           QD       LYS  57  -2.105  11.862  -9.039
  580    QE   LYS  57           QE       LYS  57  -2.316  11.667  -6.751
  581    QZ   LYS  57           QZ       LYS  57  -0.086  11.930  -6.426
  582    H    ALA  58           HN       ALA  58   1.167   9.343 -12.674
  583    HA   ALA  58           HA       ALA  58   3.715   9.001 -12.770
  584   1HB   ALA  58           3HB      ALA  58   2.561  11.798 -12.853
  585   2HB   ALA  58           1HB      ALA  58   4.113  11.329 -13.545
  586   3HB   ALA  58           2HB      ALA  58   2.621  10.642 -14.181
  587    QB   ALA  58           QB       ALA  58   3.098  11.257 -13.526
  588    H    GLU  59           HN       GLU  59   3.033  11.912 -10.901
  589    HA   GLU  59           HA       GLU  59   5.530  12.327  -9.803
  590   1HB   GLU  59           2HB      GLU  59   4.177  13.307  -7.762
  591   2HB   GLU  59           3HB      GLU  59   4.088  14.067  -9.340
  592   1HG   GLU  59           2HG      GLU  59   2.102  11.913  -8.677
  593   2HG   GLU  59           3HG      GLU  59   1.872  13.519  -7.994
  594    QB   GLU  59           QB       GLU  59   4.133  13.687  -8.551
  595    QG   GLU  59           QG       GLU  59   1.986  12.716  -8.336
  596    H    ASP  60           HN       ASP  60   3.060  10.212  -8.320
  597    HA   ASP  60           HA       ASP  60   5.061   9.498  -6.256
  598   1HB   ASP  60           2HB      ASP  60   2.994   8.072  -5.424
  599   2HB   ASP  60           3HB      ASP  60   3.035   9.806  -5.156
  600    QB   ASP  60           QB       ASP  60   3.014   8.939  -5.290
  601    H    ILE  61           HN       ILE  61   3.852   8.189  -9.216
  602    HA   ILE  61           HA       ILE  61   3.894   5.448  -8.916
  603    HB   ILE  61           HB       ILE  61   5.132   7.144 -11.087
  604   1HG1  ILE  61           2HG      ILE  61   2.700   5.330 -10.909
  605   2HG1  ILE  61           3HG      ILE  61   2.686   7.082 -10.906
  606   1HG2  ILE  61           2HG      ILE  61   6.420   4.993 -10.980
  607   2HG2  ILE  61           3HG      ILE  61   4.903   4.111 -11.071
  608   3HG2  ILE  61           1HG      ILE  61   5.441   5.086 -12.428
  609   1HD1  ILE  61           1HD      ILE  61   3.733   7.044 -13.192
  610   2HD1  ILE  61           2HD      ILE  61   3.601   5.291 -13.185
  611   3HD1  ILE  61           3HD      ILE  61   2.151   6.283 -13.149
  612    QG1  ILE  61           QG1      ILE  61   2.693   6.206 -10.907
  613    QG2  ILE  61           QG2      ILE  61   5.588   4.730 -11.494
  614    QD1  ILE  61           QD1      ILE  61   3.161   6.206 -13.176
  615    H    LEU  62           HN       LEU  62   6.832   7.269  -9.525
  616    HA   LEU  62           HA       LEU  62   8.654   5.168  -9.214
  617   1HB   LEU  62           2HB      LEU  62   8.906   8.113  -8.533
  618   2HB   LEU  62           3HB      LEU  62  10.271   7.016  -8.463
  619    HG   LEU  62           HG       LEU  62   9.868   6.454 -10.895
  620   1HD1  LEU  62           3HD      LEU  62   7.899   8.772 -10.681
  621   2HD1  LEU  62           1HD      LEU  62   8.495   8.105 -12.197
  622   3HD1  LEU  62           2HD      LEU  62   7.520   7.110 -11.134
  623   1HD2  LEU  62           2HD      LEU  62  11.553   8.115 -10.165
  624   2HD2  LEU  62           3HD      LEU  62  10.840   8.576 -11.707
  625   3HD2  LEU  62           1HD      LEU  62  10.332   9.383 -10.226
  626    QB   LEU  62           QB       LEU  62   9.588   7.565  -8.498
  627    QD1  LEU  62           QD1      LEU  62   7.972   7.995 -11.337
  628    QD2  LEU  62           QD2      LEU  62  10.909   8.691 -10.699
  629    QQD  LEU  62           QQD      LEU  62   9.440   8.343 -11.019
  630    H    ALA  63           HN       ALA  63   7.521   7.358  -6.649
  631    HA   ALA  63           HA       ALA  63   9.105   6.032  -4.629
  632   1HB   ALA  63           1HB      ALA  63   6.637   7.789  -4.352
  633   2HB   ALA  63           2HB      ALA  63   7.691   7.312  -3.021
  634   3HB   ALA  63           3HB      ALA  63   8.315   8.332  -4.315
  635    QB   ALA  63           QB       ALA  63   7.548   7.811  -3.896
  636    H    VAL  64           HN       VAL  64   5.753   5.683  -5.630
  637    HA   VAL  64           HA       VAL  64   5.050   3.862  -3.513
  638    HB   VAL  64           HB       VAL  64   3.834   4.244  -6.283
  639   1HG1  VAL  64           1HG      VAL  64   2.673   3.091  -3.711
  640   2HG1  VAL  64           2HG      VAL  64   1.772   3.375  -5.197
  641   3HG1  VAL  64           3HG      VAL  64   3.060   2.173  -5.165
  642   1HG2  VAL  64           1HG      VAL  64   4.054   6.304  -4.819
  643   2HG2  VAL  64           2HG      VAL  64   2.403   5.879  -5.205
  644   3HG2  VAL  64           3HG      VAL  64   3.065   5.491  -3.622
  645    QG1  VAL  64           QG1      VAL  64   2.502   2.880  -4.691
  646    QG2  VAL  64           QG2      VAL  64   3.174   5.891  -4.549
  647    QQG  VAL  64           QQG      VAL  64   2.838   4.385  -4.619
  648    H    GLU  65           HN       GLU  65   6.078   3.386  -6.901
  649    HA   GLU  65           HA       GLU  65   5.981   0.499  -6.749
  650   1HB   GLU  65           2HB      GLU  65   7.567   2.366  -8.571
  651   2HB   GLU  65           3HB      GLU  65   7.436   0.629  -8.806
  652   1HG   GLU  65           2HG      GLU  65   4.972   0.820  -9.046
  653   2HG   GLU  65           3HG      GLU  65   5.067   2.553  -8.775
  654    QB   GLU  65           QB       GLU  65   7.501   1.497  -8.689
  655    QG   GLU  65           QG       GLU  65   5.019   1.686  -8.911
  656    H    ASP  66           HN       ASP  66   8.589   2.913  -6.476
  657    HA   ASP  66           HA       ASP  66  10.775   1.329  -5.766
  658   1HB   ASP  66           2HB      ASP  66  11.107   3.695  -5.926
  659   2HB   ASP  66           3HB      ASP  66   9.826   4.034  -4.780
  660    QB   ASP  66           QB       ASP  66  10.466   3.865  -5.353
  661    H    PHE  67           HN       PHE  67   8.726   2.927  -3.422
  662    HA   PHE  67           HA       PHE  67   9.391   1.629  -1.092
  663   1HB   PHE  67           2HB      PHE  67   7.724   3.520  -1.329
  664   2HB   PHE  67           3HB      PHE  67   6.542   2.342  -1.872
  665    HD1  PHE  67          1HD       PHE  67   5.770   0.544  -0.344
  666    HD2  PHE  67          2HD       PHE  67   8.342   3.638   1.053
  667    HE1  PHE  67          1HE       PHE  67   5.355  -0.141   1.968
  668    HE2  PHE  67          2HE       PHE  67   7.917   2.929   3.370
  669    HZ   PHE  67           HZ       PHE  67   6.475   0.971   3.821
  670    QB   PHE  67           QB       PHE  67   7.133   2.931  -1.601
  671    QR   PHE  67           QR       PHE  67   6.846   1.742   1.512
  672    H    LEU  68           HN       LEU  68   6.600   0.636  -3.092
  673    HA   LEU  68           HA       LEU  68   6.058  -1.796  -1.756
  674   1HB   LEU  68           2HB      LEU  68   5.754  -1.116  -4.703
  675   2HB   LEU  68           3HB      LEU  68   5.094  -2.573  -3.973
  676    HG   LEU  68           HG       LEU  68   4.407   0.205  -2.940
  677   1HD1  LEU  68           1HD      LEU  68   3.733  -0.032  -5.333
  678   2HD1  LEU  68           2HD      LEU  68   2.883  -1.521  -4.932
  679   3HD1  LEU  68           3HD      LEU  68   2.333   0.013  -4.263
  680   1HD2  LEU  68           1HD      LEU  68   3.981  -1.758  -1.436
  681   2HD2  LEU  68           2HD      LEU  68   2.489  -0.994  -1.955
  682   3HD2  LEU  68           3HD      LEU  68   3.015  -2.498  -2.704
  683    QB   LEU  68           QB       LEU  68   5.424  -1.845  -4.338
  684    QD1  LEU  68           QD1      LEU  68   2.983  -0.514  -4.843
  685    QD2  LEU  68           QD2      LEU  68   3.162  -1.750  -2.032
  686    QQD  LEU  68           QQD      LEU  68   3.072  -1.132  -3.437
  687    H    GLU  69           HN       GLU  69   8.573  -1.034  -4.015
  688    HA   GLU  69           HA       GLU  69   9.259  -3.860  -4.495
  689   1HB   GLU  69           2HB      GLU  69   9.385  -2.004  -6.244
  690   2HB   GLU  69           3HB      GLU  69  10.767  -1.375  -5.370
  691   1HG   GLU  69           2HG      GLU  69  11.880  -3.629  -5.640
  692   2HG   GLU  69           3HG      GLU  69  10.539  -4.108  -6.674
  693    QB   GLU  69           QB       GLU  69  10.076  -1.690  -5.807
  694    QG   GLU  69           QG       GLU  69  11.210  -3.868  -6.157
  695    H    GLN  70           HN       GLN  70  11.322  -1.100  -3.492
  696    HA   GLN  70           HA       GLN  70  13.358  -2.694  -2.407
  697   1HB   GLN  70           2HB      GLN  70  14.065  -0.701  -1.076
  698   2HB   GLN  70           3HB      GLN  70  13.822  -0.366  -2.782
  699   1HG   GLN  70           2HG      GLN  70  11.898   0.901  -2.394
  700   2HG   GLN  70           3HG      GLN  70  11.549   0.109  -0.857
  701   1HE2  GLN  70           2HE      GLN  70  13.772   3.449  -0.859
  702   2HE2  GLN  70           1HE      GLN  70  12.920   2.915  -2.223
  703    QB   GLN  70           QB       GLN  70  13.944  -0.533  -1.929
  704    QG   GLN  70           QG       GLN  70  11.724   0.505  -1.625
  705    QE2  GLN  70           QE2      GLN  70  13.346   3.182  -1.540
  706    H    ASN  71           HN       ASN  71  10.257  -2.000  -0.949
  707    HA   ASN  71           HA       ASN  71  11.288  -3.056   1.649
  708   1HB   ASN  71           2HB      ASN  71   8.577  -1.900   0.933
  709   2HB   ASN  71           3HB      ASN  71   9.106  -2.357   2.542
  710   1HD2  ASN  71           2HD      ASN  71   9.712   1.320   1.760
  711   2HD2  ASN  71           1HD      ASN  71   8.357   0.344   1.497
  712    QB   ASN  71           QB       ASN  71   8.842  -2.128   1.737
  713    QD2  ASN  71           QD2      ASN  71   9.034   0.832   1.628
  714    H    GLU  72           HN       GLU  72  10.665  -4.486  -0.953
  715    HA   GLU  72           HA       GLU  72   9.519  -6.367  -1.742
  716   1HB   GLU  72           2HB      GLU  72  10.796  -7.036   0.895
  717   2HB   GLU  72           3HB      GLU  72   9.911  -8.286   0.030
  718   1HG   GLU  72           2HG      GLU  72  12.046  -6.602  -1.316
  719   2HG   GLU  72           3HG      GLU  72  12.412  -8.124  -0.509
  720    QB   GLU  72           QB       GLU  72  10.353  -7.661   0.463
  721    QG   GLU  72           QG       GLU  72  12.230  -7.363  -0.912
  722    H    LEU  73           HN       LEU  73   7.451  -4.986  -1.308
  723    HA   LEU  73           HA       LEU  73   5.714  -6.268   0.735
  724   1HB   LEU  73           2HB      LEU  73   5.569  -3.815  -0.986
  725   2HB   LEU  73           3HB      LEU  73   4.043  -4.580  -0.577
  726    HG   LEU  73           HG       LEU  73   4.473  -4.353   1.795
  727   1HD1  LEU  73           1HD      LEU  73   7.214  -3.410   0.918
  728   2HD1  LEU  73           2HD      LEU  73   6.617  -3.264   2.555
  729   3HD1  LEU  73           3HD      LEU  73   6.844  -4.853   1.851
  730   1HD2  LEU  73           1HD      LEU  73   3.657  -2.304   0.632
  731   2HD2  LEU  73           2HD      LEU  73   4.652  -1.918   2.026
  732   3HD2  LEU  73           3HD      LEU  73   5.328  -1.784   0.408
  733    QB   LEU  73           QB       LEU  73   4.807  -4.197  -0.781
  734    QD1  LEU  73           QD1      LEU  73   6.891  -3.842   1.775
  735    QD2  LEU  73           QD2      LEU  73   4.545  -2.001   1.022
  736    QQD  LEU  73           QQD      LEU  73   5.719  -2.922   1.398
  737    H    GLN  74           HN       GLN  74   3.494  -6.930  -0.103
  738    HA   GLN  74           HA       GLN  74   3.954  -8.439  -2.645
  739   1HB   GLN  74           2HB      GLN  74   2.325  -8.987  -0.165
  740   2HB   GLN  74           3HB      GLN  74   1.973  -9.826  -1.674
  741   1HG   GLN  74           2HG      GLN  74   3.569 -11.139  -0.310
  742   2HG   GLN  74           3HG      GLN  74   4.338 -10.600  -1.795
  743   1HE2  GLN  74           2HE      GLN  74   6.882  -8.910  -0.043
  744   2HE2  GLN  74           1HE      GLN  74   6.340  -9.580  -1.509
  745    QB   GLN  74           QB       GLN  74   2.149  -9.407  -0.919
  746    QG   GLN  74           QG       GLN  74   3.953 -10.870  -1.052
  747    QE2  GLN  74           QE2      GLN  74   6.612  -9.246  -0.776
  748    OH   TYR  75           OH       TYR  75   7.270  -5.771  -6.849
  749    H    TYR  75           HN       TYR  75   3.315  -6.946  -4.128
  750    HA   TYR  75           HA       TYR  75   0.491  -5.951  -3.984
  751   1HB   TYR  75           2HB      TYR  75   1.354  -4.363  -5.834
  752   2HB   TYR  75           3HB      TYR  75   1.962  -4.075  -4.208
  753    HD1  TYR  75           HD1      TYR  75   4.259  -4.935  -3.582
  754    HD2  TYR  75           HD2      TYR  75   2.856  -5.101  -7.600
  755    HE1  TYR  75           HE1      TYR  75   6.527  -5.410  -4.344
  756    HE2  TYR  75           HE2      TYR  75   5.155  -5.498  -8.372
  757    HH   TYR  75           HH       TYR  75   7.870  -5.724  -6.090
  758    QB   TYR  75           QB       TYR  75   1.657  -4.219  -5.021
  759    QR   TYR  75           QR       TYR  75   4.700  -5.236  -5.975
  760    H    GLU  76           HN       GLU  76  -0.734  -5.984  -6.017
  761    HA   GLU  76           HA       GLU  76   0.219  -8.098  -7.925
  762   1HB   GLU  76           2HB      GLU  76  -1.473  -9.170  -6.602
  763   2HB   GLU  76           3HB      GLU  76  -2.517  -7.761  -6.656
  764   1HG   GLU  76           2HG      GLU  76  -3.354  -9.528  -8.176
  765   2HG   GLU  76           3HG      GLU  76  -2.868  -8.121  -9.101
  766    QB   GLU  76           QB       GLU  76  -1.995  -8.466  -6.629
  767    QG   GLU  76           QG       GLU  76  -3.111  -8.824  -8.639
  768    H    VAL  77           HN       VAL  77  -0.470  -7.896 -10.044
  769    HA   VAL  77           HA       VAL  77  -1.769  -5.339 -10.848
  770    HB   VAL  77           HB       VAL  77   0.602  -6.504 -12.344
  771   1HG1  VAL  77           1HG      VAL  77  -0.884  -4.921 -13.552
  772   2HG1  VAL  77           2HG      VAL  77  -0.648  -3.723 -12.283
  773   3HG1  VAL  77           3HG      VAL  77   0.707  -4.219 -13.293
  774   1HG2  VAL  77           2HG      VAL  77   0.635  -4.403 -10.148
  775   2HG2  VAL  77           3HG      VAL  77   1.402  -5.983 -10.092
  776   3HG2  VAL  77           1HG      VAL  77   1.996  -4.764 -11.208
  777    QG1  VAL  77           QG1      VAL  77  -0.275  -4.288 -13.043
  778    QG2  VAL  77           QG2      VAL  77   1.345  -5.050 -10.483
  779    QQG  VAL  77           QQG      VAL  77   0.534  -4.668 -11.763
  780    H    LEU  78           HN       LEU  78  -3.382  -7.164 -10.726
  781    HA   LEU  78           HA       LEU  78  -3.490  -9.313 -12.518
  782   1HB   LEU  78           2HB      LEU  78  -5.908  -9.329 -12.039
  783   2HB   LEU  78           3HB      LEU  78  -4.958  -9.112 -10.583
  784    HG   LEU  78           HG       LEU  78  -6.309  -6.827 -12.084
  785   1HD1  LEU  78           1HD      LEU  78  -7.184  -8.320  -9.592
  786   2HD1  LEU  78           2HD      LEU  78  -7.971  -6.887 -10.253
  787   3HD1  LEU  78           3HD      LEU  78  -7.966  -8.390 -11.170
  788   1HD2  LEU  78           2HD      LEU  78  -4.955  -6.950  -9.370
  789   2HD2  LEU  78           3HD      LEU  78  -4.504  -5.940 -10.747
  790   3HD2  LEU  78           1HD      LEU  78  -5.992  -5.626  -9.888
  791    QB   LEU  78           QB       LEU  78  -5.432  -9.220 -11.311
  792    QD1  LEU  78           QD1      LEU  78  -7.707  -7.865 -10.338
  793    QD2  LEU  78           QD2      LEU  78  -5.150  -6.172 -10.002
  794    QQD  LEU  78           QQD      LEU  78  -6.429  -7.019 -10.170
  795    H    ILE  79           HN       ILE  79  -2.538  -8.017 -14.354
  796    HA   ILE  79           HA       ILE  79  -3.229  -6.198 -16.073
  797    HB   ILE  79           HB       ILE  79  -3.208  -9.028 -17.143
  798   1HG1  ILE  79           2HG      ILE  79  -1.454  -8.941 -15.431
  799   2HG1  ILE  79           3HG      ILE  79  -0.727  -8.933 -17.027
  800   1HG2  ILE  79           2HG      ILE  79  -2.073  -6.405 -18.179
  801   2HG2  ILE  79           3HG      ILE  79  -1.878  -7.968 -18.966
  802   3HG2  ILE  79           1HG      ILE  79  -3.479  -7.253 -18.811
  803   1HD1  ILE  79           1HD      ILE  79  -1.180  -6.458 -15.318
  804   2HD1  ILE  79           2HD      ILE  79   0.359  -7.272 -15.552
  805   3HD1  ILE  79           3HD      ILE  79  -0.426  -6.480 -16.909
  806    QG1  ILE  79           QG1      ILE  79  -1.091  -8.937 -16.229
  807    QG2  ILE  79           QG2      ILE  79  -2.477  -7.208 -18.652
  808    QD1  ILE  79           QD1      ILE  79  -0.415  -6.737 -15.926
  809    H    ASN  80           HN       ASN  80  -5.554  -5.814 -15.264
  810    HA   ASN  80           HA       ASN  80  -7.434  -6.816 -17.367
  811   1HB   ASN  80           2HB      ASN  80  -7.921  -6.478 -14.389
  812   2HB   ASN  80           3HB      ASN  80  -9.232  -6.629 -15.547
  813   1HD2  ASN  80           2HD      ASN  80  -7.359 -10.026 -16.178
  814   2HD2  ASN  80           1HD      ASN  80  -7.017  -8.564 -16.964
  815    QB   ASN  80           QB       ASN  80  -8.576  -6.554 -14.968
  816    QD2  ASN  80           QD2      ASN  80  -7.188  -9.295 -16.571
  817    H    ASN  81           HN       ASN  81  -5.926  -4.445 -17.480
  818    HA   ASN  81           HA       ASN  81  -8.121  -2.430 -17.374
  819   1HB   ASN  81           2HB      ASN  81  -6.401  -2.121 -15.501
  820   2HB   ASN  81           3HB      ASN  81  -5.215  -1.797 -16.758
  821   1HD2  ASN  81                 ASN  81  -7.675   1.089 -17.629
  822   2HD2  ASN  81           1HD      ASN  81  -7.597  -0.447 -18.348
  823    QB   ASN  81           QB       ASN  81  -5.809  -1.959 -16.129
  824    QD2  ASN  81           QD2      ASN  81  -7.635   0.321 -17.988
   
  Start of MODEL          10
 Raw file had 824 H/Q atoms
  Start of MODEL   10
    1   1H    HIS   1           HN2      HIS   1   6.115   1.962 -14.794
    2   2H    HIS   1           HN3      HIS   1   5.071   1.088 -13.853
    3   3H    HIS   1           HN1      HIS   1   5.850   2.405 -13.221
    4    HA   HIS   1           HA       HIS   1   7.473   1.157 -12.518
    5   1HB   HIS   1           2HB      HIS   1   5.794  -0.617 -12.369
    6   2HB   HIS   1           3HB      HIS   1   6.039  -1.028 -14.043
    7    HD1  HIS   1           HD1      HIS   1   7.929  -1.013 -10.805
    8    HD2  HIS   1           HD2      HIS   1   8.044  -2.953 -14.467
    9    HE1  HIS   1           HE1      HIS   1   9.707  -2.804 -10.641
   10    QB   HIS   1           QB       HIS   1   5.917  -0.822 -13.206
   11    H    HIS   2           HN       HIS   2   6.951   0.112 -15.917
   12    HA   HIS   2           HA       HIS   2   9.860   0.674 -16.311
   13   1HB   HIS   2           2HB      HIS   2  10.265  -1.386 -17.404
   14   2HB   HIS   2           3HB      HIS   2   9.481  -1.766 -15.899
   15    HD1  HIS   2           HD1      HIS   2   6.565  -1.401 -16.790
   16    HD2  HIS   2           HD2      HIS   2   9.326  -3.445 -19.057
   17    HE1  HIS   2           HE1      HIS   2   5.275  -3.016 -18.200
   18    QB   HIS   2           QB       HIS   2   9.874  -1.575 -16.651
   19    H    SER   3           HN       SER   3   7.685   2.272 -17.067
   20    HA   SER   3           HA       SER   3   6.639   3.262 -18.953
   21   1HB   SER   3           2HB      SER   3   9.434   2.748 -20.060
   22   2HB   SER   3           3HB      SER   3   8.313   4.021 -20.581
   23    HG   SER   3           HG       SER   3   8.580   3.945 -17.867
   24    QB   SER   3           QB       SER   3   8.873   3.385 -20.321
   25    H    GLY   4           HN       GLY   4   6.164   0.543 -18.728
   26   1HA   GLY   4           1HA      GLY   4   5.985  -0.305 -21.592
   27   2HA   GLY   4           2HA      GLY   4   6.287  -1.449 -20.293
   28    QA   GLY   4           QA       GLY   4   6.136  -0.877 -20.942
   29    H    GLU   5           HN       GLU   5   4.414  -0.182 -18.434
   30    HA   GLU   5           HA       GLU   5   2.003  -1.543 -19.304
   31   1HB   GLU   5           2HB      GLU   5   1.912   0.402 -17.024
   32   2HB   GLU   5           3HB      GLU   5   1.179  -1.183 -17.159
   33   1HG   GLU   5           2HG      GLU   5   2.887  -1.755 -15.725
   34   2HG   GLU   5           3HG      GLU   5   3.797  -1.907 -17.223
   35    QB   GLU   5           QB       GLU   5   1.545  -0.390 -17.092
   36    QG   GLU   5           QG       GLU   5   3.342  -1.831 -16.473
   37    H    HIS   6           HN       HIS   6   2.021  -0.157 -21.315
   38    HA   HIS   6           HA       HIS   6   0.827   1.322 -22.655
   39   1HB   HIS   6           2HB      HIS   6  -1.077   0.631 -21.219
   40   2HB   HIS   6           3HB      HIS   6  -0.707   1.921 -20.112
   41    HD1  HIS   6           HD1      HIS   6  -3.366   2.079 -21.143
   42    HD2  HIS   6           HD2      HIS   6  -0.301   3.722 -23.353
   43    HE1  HIS   6           HE1      HIS   6  -4.396   3.846 -22.601
   44    QB   HIS   6           QB       HIS   6  -0.891   1.276 -20.665
   45    H    PHE   7           HN       PHE   7   0.795   3.144 -19.574
   46    HA   PHE   7           HA       PHE   7   2.782   5.019 -20.749
   47   1HB   PHE   7           2HB      PHE   7   1.387   6.988 -20.154
   48   2HB   PHE   7           3HB      PHE   7   0.552   5.974 -21.322
   49    HD1  PHE   7          1HD       PHE   7  -1.048   4.120 -20.241
   50    HD2  PHE   7          2HD       PHE   7   0.204   7.653 -18.239
   51    HE1  PHE   7          1HE       PHE   7  -2.898   3.863 -18.650
   52    HE2  PHE   7          2HE       PHE   7  -1.674   7.425 -16.678
   53    HZ   PHE   7           HZ       PHE   7  -3.202   5.506 -16.840
   54    QB   PHE   7           QB       PHE   7   0.969   6.480 -20.738
   55    QR   PHE   7           QR       PHE   7  -1.354   5.765 -18.452
   56    H    GLU   8           HN       GLU   8   3.890   6.281 -19.069
   57    HA   GLU   8           HA       GLU   8   3.772   4.853 -16.486
   58   1HB   GLU   8           2HB      GLU   8   5.977   5.496 -17.766
   59   2HB   GLU   8           3HB      GLU   8   5.707   7.090 -17.078
   60   1HG   GLU   8           2HG      GLU   8   7.184   5.791 -15.600
   61   2HG   GLU   8           3HG      GLU   8   5.648   6.073 -14.788
   62    QB   GLU   8           QB       GLU   8   5.842   6.293 -17.423
   63    QG   GLU   8           QG       GLU   8   6.416   5.932 -15.193
   64    H    GLY   9           HN       GLY   9   1.543   6.079 -16.785
   65   1HA   GLY   9           1HA      GLY   9   1.717   8.504 -15.023
   66   2HA   GLY   9           2HA      GLY   9   0.536   8.389 -16.328
   67    QA   GLY   9           QA       GLY   9   1.127   8.446 -15.675
   68    H    GLU  10           HN       GLU  10  -0.805   8.809 -14.329
   69    HA   GLU  10           HA       GLU  10  -1.502   7.597 -12.145
   70   1HB   GLU  10           2HB      GLU  10  -3.427   7.733 -14.475
   71   2HB   GLU  10           3HB      GLU  10  -3.903   7.522 -12.800
   72   1HG   GLU  10           2HG      GLU  10  -2.241   9.728 -12.624
   73   2HG   GLU  10           3HG      GLU  10  -3.002   9.970 -14.195
   74    QB   GLU  10           QB       GLU  10  -3.665   7.628 -13.637
   75    QG   GLU  10           QG       GLU  10  -2.622   9.849 -13.409
   76    H    LYS  11           HN       LYS  11  -1.136   5.660 -11.355
   77    HA   LYS  11           HA       LYS  11  -2.049   3.243 -12.903
   78   1HB   LYS  11           2HB      LYS  11   0.035   3.145 -10.695
   79   2HB   LYS  11           3HB      LYS  11  -0.319   1.937 -11.908
   80   1HG   LYS  11           2HG      LYS  11   0.673   4.627 -12.770
   81   2HG   LYS  11           3HG      LYS  11   1.806   3.434 -12.164
   82   1HD   LYS  11           2HD      LYS  11   1.155   1.834 -13.857
   83   2HD   LYS  11           3HD      LYS  11  -0.173   2.864 -14.389
   84   1HE   LYS  11           2HE      LYS  11   1.200   4.304 -15.510
   85   2HE   LYS  11           3HE      LYS  11   2.527   4.110 -14.370
   86   1HZ   LYS  11           3HZ      LYS  11   2.204   1.658 -15.597
   87   2HZ   LYS  11           1HZ      LYS  11   2.096   2.822 -16.848
   88   3HZ   LYS  11           2HZ      LYS  11   3.463   2.764 -15.819
   89    QB   LYS  11           QB       LYS  11  -0.143   2.541 -11.302
   90    QG   LYS  11           QG       LYS  11   1.239   4.031 -12.467
   91    QD   LYS  11           QD       LYS  11   0.491   2.349 -14.122
   92    QE   LYS  11           QE       LYS  11   1.863   4.207 -14.940
   93    QZ   LYS  11           QZ       LYS  11   2.588   2.414 -16.088
   94    H    VAL  12           HN       VAL  12  -2.727   1.464 -11.437
   95    HA   VAL  12           HA       VAL  12  -4.168   2.542  -9.057
   96    HB   VAL  12           HB       VAL  12  -4.657  -0.016 -10.601
   97   1HG1  VAL  12           3HG      VAL  12  -5.465  -0.007  -8.221
   98   2HG1  VAL  12           1HG      VAL  12  -6.352   1.473  -8.550
   99   3HG1  VAL  12           2HG      VAL  12  -6.801  -0.023  -9.365
  100   1HG2  VAL  12           1HG      VAL  12  -6.095   2.666 -10.687
  101   2HG2  VAL  12           2HG      VAL  12  -5.093   2.008 -11.977
  102   3HG2  VAL  12           3HG      VAL  12  -6.602   1.210 -11.542
  103    QG1  VAL  12           QG1      VAL  12  -6.207   0.480  -8.712
  104    QG2  VAL  12           QG2      VAL  12  -5.930   1.962 -11.402
  105    QQG  VAL  12           QQG      VAL  12  -6.069   1.221 -10.057
  106    H    PHE  13           HN       PHE  13  -3.867  -0.689  -9.197
  107    HA   PHE  13           HA       PHE  13  -2.019  -2.183  -8.506
  108   1HB   PHE  13           2HB      PHE  13  -1.284   0.034  -6.561
  109   2HB   PHE  13           3HB      PHE  13  -0.494  -1.520  -6.692
  110    HD1  PHE  13          1HD       PHE  13  -0.954  -1.084 -10.016
  111    HD2  PHE  13          2HD       PHE  13   1.106   0.837  -6.826
  112    HE1  PHE  13          1HE       PHE  13   0.684  -0.157 -11.605
  113    HE2  PHE  13          2HE       PHE  13   2.727   1.739  -8.400
  114    HZ   PHE  13           HZ       PHE  13   2.543   1.256 -10.786
  115    QB   PHE  13           QB       PHE  13  -0.889  -0.743  -6.626
  116    QR   PHE  13           QR       PHE  13   0.891   0.334  -9.212
  117    NH1  ARG  14           NH1      ARG  14  -4.079  -5.149  -9.304
  118    NH2  ARG  14           NH2      ARG  14  -6.200  -5.435 -10.005
  119    H    ARG  14           HN       ARG  14  -2.120  -3.670  -6.924
  120    HA   ARG  14           HA       ARG  14  -4.133  -3.234  -4.767
  121   1HB   ARG  14           2HB      ARG  14  -3.615  -5.605  -6.571
  122   2HB   ARG  14           3HB      ARG  14  -4.416  -5.803  -5.027
  123   1HG   ARG  14           2HG      ARG  14  -6.139  -4.157  -5.701
  124   2HG   ARG  14           3HG      ARG  14  -5.341  -3.942  -7.249
  125   1HD   ARG  14           2HD      ARG  14  -6.391  -6.608  -6.215
  126   2HD   ARG  14           3HD      ARG  14  -7.276  -5.561  -7.329
  127    HE   ARG  14           HE       ARG  14  -5.209  -7.361  -8.115
  128   1HH1  ARG  14           2HH      ARG  14  -3.365  -5.316  -8.621
  129   2HH1  ARG  14           1HH      ARG  14  -3.892  -4.541 -10.096
  130   1HH2  ARG  14           2HH      ARG  14  -7.125  -5.761  -9.823
  131   2HH2  ARG  14           1HH      ARG  14  -6.003  -4.909 -10.838
  132    QB   ARG  14           QB       ARG  14  -4.015  -5.704  -5.799
  133    QG   ARG  14           QG       ARG  14  -5.740  -4.049  -6.475
  134    QD   ARG  14           QD       ARG  14  -6.834  -6.085  -6.772
  135    QH1  ARG  14           QH1      ARG  14  -3.629  -4.928  -9.358
  136    QH2  ARG  14           QH2      ARG  14  -6.564  -5.335 -10.331
  137    H    VAL  15           HN       VAL  15  -3.733  -4.387  -2.826
  138    HA   VAL  15           HA       VAL  15  -0.987  -5.525  -2.505
  139    HB   VAL  15           HB       VAL  15  -2.255  -3.679  -0.455
  140   1HG1  VAL  15           1HG      VAL  15   0.589  -4.630  -0.930
  141   2HG1  VAL  15           2HG      VAL  15   0.112  -3.475   0.311
  142   3HG1  VAL  15           3HG      VAL  15  -0.472  -5.136   0.381
  143   1HG2  VAL  15           1HG      VAL  15  -0.296  -2.952  -2.658
  144   2HG2  VAL  15           2HG      VAL  15  -1.963  -2.395  -2.524
  145   3HG2  VAL  15           3HG      VAL  15  -0.773  -1.890  -1.332
  146    QG1  VAL  15           QG1      VAL  15   0.076  -4.414  -0.080
  147    QG2  VAL  15           QG2      VAL  15  -1.011  -2.413  -2.171
  148    QQG  VAL  15           QQG      VAL  15  -0.467  -3.413  -1.126
  149    H    ASN  16           HN       ASN  16  -1.694  -7.612  -2.310
  150    HA   ASN  16           HA       ASN  16  -3.977  -8.317  -0.638
  151   1HB   ASN  16           2HB      ASN  16  -1.905  -9.831  -2.179
  152   2HB   ASN  16           3HB      ASN  16  -2.801 -10.693  -0.939
  153   1HD2  ASN  16           2HD      ASN  16  -4.897  -9.250  -4.156
  154   2HD2  ASN  16           1HD      ASN  16  -3.418  -8.531  -3.759
  155    QB   ASN  16           QB       ASN  16  -2.353 -10.261  -1.559
  156    QD2  ASN  16           QD2      ASN  16  -4.158  -8.891  -3.957
  157    H    VAL  17           HN       VAL  17  -2.979  -6.996   1.237
  158    HA   VAL  17           HA       VAL  17  -0.834  -7.614   2.872
  159    HB   VAL  17           HB       VAL  17  -3.666  -7.413   3.988
  160   1HG1  VAL  17           2HG      VAL  17  -1.755  -7.847   5.597
  161   2HG1  VAL  17           3HG      VAL  17  -1.055  -6.318   5.080
  162   3HG1  VAL  17           1HG      VAL  17  -2.610  -6.337   5.877
  163   1HG2  VAL  17           3HG      VAL  17  -1.828  -5.173   3.046
  164   2HG2  VAL  17           1HG      VAL  17  -3.356  -5.626   2.299
  165   3HG2  VAL  17           2HG      VAL  17  -3.338  -4.944   3.919
  166    QG1  VAL  17           QG1      VAL  17  -1.806  -6.834   5.518
  167    QG2  VAL  17           QG2      VAL  17  -2.840  -5.248   3.088
  168    QQG  VAL  17           QQG      VAL  17  -2.323  -6.041   4.303
  169    H    GLU  18           HN       GLU  18   0.000  -9.423   3.650
  170    HA   GLU  18           HA       GLU  18  -1.656 -11.883   3.667
  171   1HB   GLU  18           2HB      GLU  18   0.767 -11.504   2.602
  172   2HB   GLU  18           3HB      GLU  18   1.302 -11.862   4.227
  173   1HG   GLU  18           2HG      GLU  18   1.289 -13.964   3.105
  174   2HG   GLU  18           3HG      GLU  18  -0.163 -13.967   4.102
  175    QB   GLU  18           QB       GLU  18   1.035 -11.683   3.415
  176    QG   GLU  18           QG       GLU  18   0.563 -13.965   3.604
  177    H    ASP  19           HN       ASP  19   0.848 -10.352   5.721
  178    HA   ASP  19           HA       ASP  19  -0.649 -11.546   8.062
  179   1HB   ASP  19           2HB      ASP  19   1.339 -12.174   9.218
  180   2HB   ASP  19           3HB      ASP  19   1.579 -12.732   7.579
  181    QB   ASP  19           QB       ASP  19   1.459 -12.453   8.399
  182    H    GLU  20           HN       GLU  20   1.236 -10.315   9.935
  183    HA   GLU  20           HA       GLU  20  -0.115  -7.687   9.937
  184   1HB   GLU  20           2HB      GLU  20   0.348  -9.295  11.964
  185   2HB   GLU  20           3HB      GLU  20   1.951  -8.576  11.950
  186   1HG   GLU  20           2HG      GLU  20   0.689  -7.254  13.454
  187   2HG   GLU  20           3HG      GLU  20   0.762  -6.292  11.988
  188    QB   GLU  20           QB       GLU  20   1.149  -8.935  11.957
  189    QG   GLU  20           QG       GLU  20   0.726  -6.774  12.721
  190    H    ASN  21           HN       ASN  21   2.946  -9.085   9.152
  191    HA   ASN  21           HA       ASN  21   4.672  -6.817   9.291
  192   1HB   ASN  21           2HB      ASN  21   5.341  -9.223   8.668
  193   2HB   ASN  21           3HB      ASN  21   4.734  -8.881   7.056
  194   1HD2  ASN  21           2HD      ASN  21   7.424  -6.616   6.275
  195   2HD2  ASN  21           1HD      ASN  21   5.822  -7.031   5.878
  196    QB   ASN  21           QB       ASN  21   5.038  -9.052   7.863
  197    QD2  ASN  21           QD2      ASN  21   6.623  -6.824   6.076
  198    H    ASP  22           HN       ASP  22   2.747  -8.067   6.587
  199    HA   ASP  22           HA       ASP  22   3.124  -6.100   4.680
  200   1HB   ASP  22           2HB      ASP  22   0.708  -7.713   5.492
  201   2HB   ASP  22           3HB      ASP  22   0.577  -6.551   4.189
  202    QB   ASP  22           QB       ASP  22   0.643  -7.132   4.841
  203    H    ILE  23           HN       ILE  23   0.835  -5.903   7.437
  204    HA   ILE  23           HA       ILE  23  -0.010  -3.207   6.731
  205    HB   ILE  23           HB       ILE  23  -0.075  -4.670   9.416
  206   1HG1  ILE  23           2HG      ILE  23  -2.651  -4.229   8.742
  207   2HG1  ILE  23           3HG      ILE  23  -1.945  -4.289   7.125
  208   1HG2  ILE  23           3HG      ILE  23  -1.282  -1.971   8.704
  209   2HG2  ILE  23           1HG      ILE  23  -1.543  -2.845  10.210
  210   3HG2  ILE  23           2HG      ILE  23   0.060  -2.231   9.817
  211   1HD1  ILE  23           1HD      ILE  23  -1.507  -6.338   9.281
  212   2HD1  ILE  23           2HD      ILE  23  -2.584  -6.517   7.917
  213   3HD1  ILE  23           3HD      ILE  23  -0.864  -6.399   7.650
  214    QG1  ILE  23           QG1      ILE  23  -2.298  -4.259   7.933
  215    QG2  ILE  23           QG2      ILE  23  -0.922  -2.349   9.577
  216    QD1  ILE  23           QD1      ILE  23  -1.652  -6.418   8.283
  217    H    SER  24           HN       SER  24   1.997  -4.337   9.414
  218    HA   SER  24           HA       SER  24   3.185  -2.095  10.327
  219   1HB   SER  24           2HB      SER  24   4.758  -4.582   9.534
  220   2HB   SER  24           3HB      SER  24   5.184  -3.436  10.821
  221    HG   SER  24           HG       SER  24   3.186  -5.377  10.743
  222    QB   SER  24           QB       SER  24   4.972  -4.010  10.177
  223    H    GLU  25           HN       GLU  25   3.993  -3.551   7.217
  224    HA   GLU  25           HA       GLU  25   5.962  -1.400   6.666
  225   1HB   GLU  25           2HB      GLU  25   5.299  -4.054   5.576
  226   2HB   GLU  25           3HB      GLU  25   5.550  -2.875   4.309
  227   1HG   GLU  25           2HG      GLU  25   7.751  -3.499   4.576
  228   2HG   GLU  25           3HG      GLU  25   7.708  -2.315   5.872
  229    QB   GLU  25           QB       GLU  25   5.424  -3.465   4.943
  230    QG   GLU  25           QG       GLU  25   7.730  -2.907   5.224
  231    H    LEU  26           HN       LEU  26   3.179  -2.680   4.776
  232    HA   LEU  26           HA       LEU  26   2.722  -0.569   3.019
  233   1HB   LEU  26           2HB      LEU  26   1.393  -2.800   3.513
  234   2HB   LEU  26           3HB      LEU  26   0.405  -1.791   4.544
  235    HG   LEU  26           HG       LEU  26   0.857  -1.440   1.563
  236   1HD1  LEU  26           3HD      LEU  26  -0.682  -3.290   2.274
  237   2HD1  LEU  26           1HD      LEU  26  -1.644  -2.114   3.159
  238   3HD1  LEU  26           2HD      LEU  26  -1.526  -2.011   1.408
  239   1HD2  LEU  26           3HD      LEU  26  -0.775   0.234   3.509
  240   2HD2  LEU  26           1HD      LEU  26   0.607   0.776   2.560
  241   3HD2  LEU  26           2HD      LEU  26  -0.894   0.347   1.757
  242    QB   LEU  26           QB       LEU  26   0.900  -2.295   4.029
  243    QD1  LEU  26           QD1      LEU  26  -1.284  -2.472   2.280
  244    QD2  LEU  26           QD2      LEU  26  -0.354   0.452   2.609
  245    QQD  LEU  26           QQD      LEU  26  -0.819  -1.009   2.444
  246    H    HIS  27           HN       HIS  27   1.380  -0.881   6.220
  247    HA   HIS  27           HA       HIS  27  -0.064   1.391   6.674
  248   1HB   HIS  27           2HB      HIS  27   0.697  -0.541   8.263
  249   2HB   HIS  27           3HB      HIS  27   2.009   0.516   8.677
  250    HD1  HIS  27           HD1      HIS  27   0.674   3.101   8.924
  251    HD2  HIS  27           HD2      HIS  27  -1.135  -0.323  10.321
  252    HE1  HIS  27           HE1      HIS  27  -0.932   3.774  10.751
  253    QB   HIS  27           QB       HIS  27   1.353  -0.012   8.470
  254    H    GLU  28           HN       GLU  28   3.443   1.141   6.945
  255    HA   GLU  28           HA       GLU  28   4.121   3.682   7.910
  256   1HB   GLU  28           2HB      GLU  28   5.636   1.682   7.263
  257   2HB   GLU  28           3HB      GLU  28   5.624   2.333   5.638
  258   1HG   GLU  28           2HG      GLU  28   6.566   3.800   8.140
  259   2HG   GLU  28           3HG      GLU  28   7.607   3.133   6.893
  260    QB   GLU  28           QB       GLU  28   5.630   2.007   6.450
  261    QG   GLU  28           QG       GLU  28   7.087   3.466   7.516
  262    H    LEU  29           HN       LEU  29   3.643   2.719   4.544
  263    HA   LEU  29           HA       LEU  29   4.063   5.033   3.133
  264   1HB   LEU  29           2HB      LEU  29   3.248   2.961   2.095
  265   2HB   LEU  29           3HB      LEU  29   1.688   3.151   2.872
  266    HG   LEU  29           HG       LEU  29   1.206   5.158   1.573
  267   1HD1  LEU  29           2HD      LEU  29   3.978   4.775   0.376
  268   2HD1  LEU  29           3HD      LEU  29   2.782   5.939  -0.191
  269   3HD1  LEU  29           1HD      LEU  29   3.478   6.107   1.413
  270   1HD2  LEU  29           2HD      LEU  29   2.314   2.900  -0.130
  271   2HD2  LEU  29           3HD      LEU  29   0.682   3.002   0.519
  272   3HD2  LEU  29           1HD      LEU  29   1.215   4.141  -0.712
  273    QB   LEU  29           QB       LEU  29   2.469   3.056   2.483
  274    QD1  LEU  29           QD1      LEU  29   3.413   5.607   0.533
  275    QD2  LEU  29           QD2      LEU  29   1.403   3.348  -0.108
  276    QQD  LEU  29           QQD      LEU  29   2.408   4.477   0.212
  277    H    ALA  30           HN       ALA  30   1.103   4.336   4.978
  278    HA   ALA  30           HA       ALA  30  -0.508   6.494   4.363
  279   1HB   ALA  30           1HB      ALA  30  -1.138   4.798   6.048
  280   2HB   ALA  30           2HB      ALA  30   0.033   5.476   7.173
  281   3HB   ALA  30           3HB      ALA  30  -1.371   6.422   6.687
  282    QB   ALA  30           QB       ALA  30  -0.825   5.566   6.636
  283    H    SER  31           HN       SER  31   2.222   6.509   6.586
  284    HA   SER  31           HA       SER  31   2.197   9.036   7.719
  285   1HB   SER  31           2HB      SER  31   4.680   8.952   7.678
  286   2HB   SER  31           3HB      SER  31   4.055   7.319   7.978
  287    HG   SER  31           HG       SER  31   4.971   6.747   6.172
  288    QB   SER  31           QB       SER  31   4.367   8.136   7.827
  289    H    THR  32           HN       THR  32   3.500   8.192   4.610
  290    HA   THR  32           HA       THR  32   3.384  11.042   3.731
  291    HB   THR  32           HB       THR  32   5.205  10.072   2.047
  292    HG1  THR  32          1HG       THR  32   5.264   8.212   4.242
  293   1HG2  THR  32           3HG      THR  32   5.832  10.118   5.042
  294   2HG2  THR  32           1HG      THR  32   6.996  10.325   3.736
  295   3HG2  THR  32           2HG      THR  32   5.781  11.563   4.034
  296    QG2  THR  32           QG2      THR  32   6.203  10.669   4.270
  297    NH1  ARG  33           NH2      ARG  33  -3.536  10.303   1.165
  298    NH2  ARG  33           NH1      ARG  33  -5.504   9.185   0.898
  299    H    ARG  33           HN       ARG  33   1.076   9.636   3.671
  300    HA   ARG  33           HA       ARG  33   0.644   8.253   1.167
  301   1HB   ARG  33           2HB      ARG  33  -0.720   8.120   3.376
  302   2HB   ARG  33           3HB      ARG  33  -1.539   9.553   2.816
  303   1HG   ARG  33           2HG      ARG  33  -2.126   8.329   0.696
  304   2HG   ARG  33           3HG      ARG  33  -1.359   6.894   1.343
  305   1HD   ARG  33           2HD      ARG  33  -3.742   6.679   1.764
  306   2HD   ARG  33           3HD      ARG  33  -2.960   6.995   3.308
  307    HE   ARG  33           HE       ARG  33  -4.416   8.836   3.433
  308   1HH1  ARG  33           2HH      ARG  33  -2.691  10.445   1.679
  309   2HH1  ARG  33           1HH      ARG  33  -3.713  10.854   0.349
  310   1HH2  ARG  33           2HH      ARG  33  -6.137   8.474   1.207
  311   2HH2  ARG  33           1HH      ARG  33  -5.738   9.738   0.090
  312    QB   ARG  33           QB       ARG  33  -1.129   8.837   3.096
  313    QG   ARG  33           QG       ARG  33  -1.743   7.611   1.020
  314    QD   ARG  33           QD       ARG  33  -3.350   6.837   2.536
  315    QH1  ARG  33           QH2      ARG  33  -3.202  10.650   1.014
  316    QH2  ARG  33           QH1      ARG  33  -5.938   9.106   0.649
  317    H    GLN  34           HN       GLN  34   1.707  10.082  -0.112
  318    HA   GLN  34           HA       GLN  34  -0.060  12.402  -0.663
  319   1HB   GLN  34           2HB      GLN  34   2.688  11.875  -0.987
  320   2HB   GLN  34           3HB      GLN  34   2.080  11.873  -2.631
  321   1HG   GLN  34           2HG      GLN  34   1.525  14.096  -0.629
  322   2HG   GLN  34           3HG      GLN  34   2.842  14.142  -1.788
  323   1HE2  GLN  34           2HE      GLN  34   0.099  14.058  -4.445
  324   2HE2  GLN  34           1HE      GLN  34   1.192  12.847  -3.969
  325    QB   GLN  34           QB       GLN  34   2.384  11.874  -1.809
  326    QG   GLN  34           QG       GLN  34   2.183  14.119  -1.208
  327    QE2  GLN  34           QE2      GLN  34   0.645  13.453  -4.207
  328    H    ILE  35           HN       ILE  35  -1.321  10.039  -0.901
  329    HA   ILE  35           HA       ILE  35  -2.095   9.846  -3.749
  330    HB   ILE  35           HB       ILE  35  -1.970   7.345  -3.645
  331   1HG1  ILE  35           2HG      ILE  35  -0.812   7.948  -0.908
  332   2HG1  ILE  35           3HG      ILE  35  -2.226   6.973  -1.274
  333   1HG2  ILE  35           2HG      ILE  35  -0.033   8.661  -4.533
  334   2HG2  ILE  35           3HG      ILE  35   0.691   8.608  -2.930
  335   3HG2  ILE  35           1HG      ILE  35   0.443   7.119  -3.834
  336   1HD1  ILE  35           3HD      ILE  35  -0.748   5.321  -2.421
  337   2HD1  ILE  35           1HD      ILE  35   0.650   6.290  -1.967
  338   3HD1  ILE  35           2HD      ILE  35  -0.329   5.534  -0.725
  339    QG1  ILE  35           QG1      ILE  35  -1.520   7.460  -1.091
  340    QG2  ILE  35           QG2      ILE  35   0.367   8.130  -3.766
  341    QD1  ILE  35           QD1      ILE  35  -0.143   5.715  -1.704
  342    H    ASP  36           HN       ASP  36  -3.846   7.718  -3.512
  343    HA   ASP  36           HA       ASP  36  -5.528   8.323  -1.142
  344   1HB   ASP  36           2HB      ASP  36  -6.372   9.544  -3.245
  345   2HB   ASP  36           3HB      ASP  36  -6.736   7.949  -3.891
  346    QB   ASP  36           QB       ASP  36  -6.555   8.747  -3.569
  347    H    PHE  37           HN       PHE  37  -7.115   6.571  -0.753
  348    HA   PHE  37           HA       PHE  37  -6.089   3.934  -1.789
  349   1HB   PHE  37           2HB      PHE  37  -6.701   4.865   0.984
  350   2HB   PHE  37           3HB      PHE  37  -7.068   3.195   0.593
  351    HD1  PHE  37          1HD       PHE  37  -4.098   4.822  -0.980
  352    HD2  PHE  37          2HD       PHE  37  -5.504   2.429   2.253
  353    HE1  PHE  37          1HE       PHE  37  -1.799   4.139  -0.479
  354    HE2  PHE  37          2HE       PHE  37  -3.203   1.775   2.762
  355    HZ   PHE  37           HZ       PHE  37  -1.339   2.647   1.424
  356    QB   PHE  37           QB       PHE  37  -6.885   4.031   0.789
  357    QR   PHE  37           QR       PHE  37  -3.652   3.291   0.889
  358    CH2  TRP  38           CH2      TRP  38 -12.431  -2.079  -5.516
  359    H    TRP  38           HN       TRP  38  -7.818   2.188  -1.646
  360    HA   TRP  38           HA       TRP  38 -10.541   3.431  -1.860
  361   1HB   TRP  38           2HB      TRP  38  -9.839   3.139  -4.095
  362   2HB   TRP  38           3HB      TRP  38  -9.155   1.574  -3.773
  363    HD1  TRP  38           HD1      TRP  38 -12.761   3.103  -3.583
  364    HE1  TRP  38           HE1      TRP  38 -14.396   1.392  -4.394
  365    HE3  TRP  38           HE3      TRP  38  -9.527  -0.533  -4.692
  366    HZ2  TRP  38           HZ2      TRP  38 -14.384  -1.221  -5.375
  367    HZ3  TRP  38           HZ3      TRP  38 -10.382  -2.687  -5.555
  368    HH2  TRP  38           HH2      TRP  38 -12.789  -3.020  -5.908
  369    QB   TRP  38           QB       TRP  38  -9.496   2.357  -3.933
  370    H    LYS  39           HN       LYS  39  -9.165   0.148  -2.028
  371    HA   LYS  39           HA       LYS  39 -11.243  -0.658  -0.028
  372   1HB   LYS  39           2HB      LYS  39 -11.780  -1.430  -2.315
  373   2HB   LYS  39           3HB      LYS  39 -10.245  -2.263  -2.395
  374   1HG   LYS  39           2HG      LYS  39 -11.307  -3.215  -0.009
  375   2HG   LYS  39           3HG      LYS  39 -12.742  -3.002  -0.994
  376   1HD   LYS  39           2HD      LYS  39 -12.141  -5.177  -1.560
  377   2HD   LYS  39           3HD      LYS  39 -11.344  -4.279  -2.839
  378   1HE   LYS  39           2HE      LYS  39  -9.936  -4.986  -0.240
  379   2HE   LYS  39           3HE      LYS  39  -9.945  -6.081  -1.616
  380   1HZ   LYS  39           3HZ      LYS  39  -9.199  -3.584  -2.582
  381   2HZ   LYS  39           1HZ      LYS  39  -8.306  -3.830  -1.155
  382   3HZ   LYS  39           2HZ      LYS  39  -8.223  -4.942  -2.440
  383    QB   LYS  39           QB       LYS  39 -11.013  -1.847  -2.355
  384    QG   LYS  39           QG       LYS  39 -12.025  -3.108  -0.501
  385    QD   LYS  39           QD       LYS  39 -11.743  -4.728  -2.199
  386    QE   LYS  39           QE       LYS  39  -9.940  -5.534  -0.928
  387    QZ   LYS  39           QZ       LYS  39  -8.576  -4.118  -2.059
  388    HA   PRO  40           HA       PRO  40 -11.182  -0.500   1.914
  389   1HB   PRO  40           2HB      PRO  40  -9.105  -0.259   4.040
  390   2HB   PRO  40           3HB      PRO  40 -10.824  -0.642   4.195
  391   1HG   PRO  40           2HG      PRO  40  -8.945  -2.578   4.478
  392   2HG   PRO  40           3HG      PRO  40 -10.489  -2.934   3.704
  393   1HD   PRO  40           2HD      PRO  40  -7.798  -2.471   2.426
  394   2HD   PRO  40           3HD      PRO  40  -9.085  -3.598   1.946
  395    QB   PRO  40           QB       PRO  40  -9.964  -0.451   4.117
  396    QG   PRO  40           QG       PRO  40  -9.718  -2.756   4.091
  397    QD   PRO  40           QD       PRO  40  -8.442  -3.034   2.187
  398    H    ASP  41           HN       ASP  41 -10.846   1.753   3.010
  399    HA   ASP  41           HA       ASP  41  -9.197   3.336   1.135
  400   1HB   ASP  41           2HB      ASP  41 -10.536   5.226   1.941
  401   2HB   ASP  41           3HB      ASP  41 -11.607   3.889   1.541
  402    QB   ASP  41           QB       ASP  41 -11.071   4.558   1.741
  403    H    SER  42           HN       SER  42  -9.721   3.084   4.658
  404    HA   SER  42           HA       SER  42  -7.320   4.764   5.062
  405   1HB   SER  42           2HB      SER  42  -9.368   5.125   6.443
  406   2HB   SER  42           3HB      SER  42  -9.173   3.498   7.120
  407    HG   SER  42           HG       SER  42  -7.886   4.504   8.477
  408    QB   SER  42           QB       SER  42  -9.271   4.311   6.782
  409    H    VAL  43           HN       VAL  43  -6.027   4.033   7.032
  410    HA   VAL  43           HA       VAL  43  -5.057   1.254   6.544
  411    HB   VAL  43           HB       VAL  43  -3.617   3.831   7.132
  412   1HG1  VAL  43           1HG      VAL  43  -2.530   1.044   7.695
  413   2HG1  VAL  43           2HG      VAL  43  -1.598   2.538   7.731
  414   3HG1  VAL  43           3HG      VAL  43  -2.870   2.269   8.915
  415   1HG2  VAL  43           3HG      VAL  43  -3.118   1.440   5.317
  416   2HG2  VAL  43           1HG      VAL  43  -3.793   2.989   4.818
  417   3HG2  VAL  43           2HG      VAL  43  -2.123   2.892   5.370
  418    QG1  VAL  43           QG1      VAL  43  -2.333   1.950   8.114
  419    QG2  VAL  43           QG2      VAL  43  -3.011   2.440   5.168
  420    QQG  VAL  43           QQG      VAL  43  -2.672   2.195   6.641
  421    H    THR  44           HN       THR  44  -5.576   3.757   8.885
  422    HA   THR  44           HA       THR  44  -5.037   2.917  11.349
  423    HB   THR  44           HB       THR  44  -7.333   3.838  12.062
  424    HG1  THR  44          1HG       THR  44  -8.778   3.717  10.506
  425   1HG2  THR  44           3HG      THR  44  -5.990   5.383   9.781
  426   2HG2  THR  44           1HG      THR  44  -7.010   6.069  11.038
  427   3HG2  THR  44           2HG      THR  44  -5.423   5.425  11.447
  428    QG2  THR  44           QG2      THR  44  -6.140   5.626  10.755
  429    H    GLN  45           HN       GLN  45  -7.619   1.435   9.446
  430    HA   GLN  45           HA       GLN  45  -7.806  -0.716  11.529
  431   1HB   GLN  45           2HB      GLN  45  -9.946   0.199   9.580
  432   2HB   GLN  45           3HB      GLN  45 -10.128  -1.068  10.781
  433   1HG   GLN  45           2HG      GLN  45  -9.671   0.636  12.578
  434   2HG   GLN  45           3HG      GLN  45  -9.651   1.881  11.334
  435   1HE2  GLN  45           2HE      GLN  45 -13.270   0.420  10.800
  436   2HE2  GLN  45           1HE      GLN  45 -11.849  -0.099  10.028
  437    QB   GLN  45           QB       GLN  45 -10.037  -0.434  10.181
  438    QG   GLN  45           QG       GLN  45  -9.661   1.259  11.956
  439    QE2  GLN  45           QE2      GLN  45 -12.560   0.160  10.414
  440    H    ILE  46           HN       ILE  46  -5.833  -1.056   9.583
  441    HA   ILE  46           HA       ILE  46  -7.114  -2.987   7.678
  442    HB   ILE  46           HB       ILE  46  -4.426  -1.654   7.632
  443   1HG1  ILE  46           2HG      ILE  46  -6.323  -0.261   6.977
  444   2HG1  ILE  46           3HG      ILE  46  -5.117  -0.501   5.712
  445   1HG2  ILE  46           2HG      ILE  46  -5.511  -3.739   5.761
  446   2HG2  ILE  46           3HG      ILE  46  -4.072  -2.775   5.448
  447   3HG2  ILE  46           1HG      ILE  46  -4.101  -3.905   6.792
  448   1HD1  ILE  46           1HD      ILE  46  -6.485  -2.327   4.799
  449   2HD1  ILE  46           2HD      ILE  46  -7.698  -1.997   6.038
  450   3HD1  ILE  46           3HD      ILE  46  -7.327  -0.782   4.818
  451    QG1  ILE  46           QG1      ILE  46  -5.720  -0.381   6.345
  452    QG2  ILE  46           QG2      ILE  46  -4.562  -3.473   6.001
  453    QD1  ILE  46           QD1      ILE  46  -7.170  -1.702   5.218
  454    H    LYS  47           HN       LYS  47  -6.368  -5.085   7.497
  455    HA   LYS  47           HA       LYS  47  -4.473  -6.096   9.592
  456   1HB   LYS  47           2HB      LYS  47  -7.335  -6.962   9.061
  457   2HB   LYS  47           3HB      LYS  47  -6.206  -8.045   9.840
  458   1HG   LYS  47           2HG      LYS  47  -6.806  -5.239  10.864
  459   2HG   LYS  47           3HG      LYS  47  -7.683  -6.655  11.404
  460   1HD   LYS  47           2HD      LYS  47  -6.112  -6.772  13.037
  461   2HD   LYS  47           3HD      LYS  47  -5.080  -7.468  11.815
  462   1HE   LYS  47           2HE      LYS  47  -4.229  -5.170  11.273
  463   2HE   LYS  47           3HE      LYS  47  -5.227  -4.521  12.557
  464   1HZ   LYS  47           1HZ      LYS  47  -3.593  -6.679  13.490
  465   2HZ   LYS  47           2HZ      LYS  47  -2.656  -5.509  12.714
  466   3HZ   LYS  47           3HZ      LYS  47  -3.643  -5.060  14.026
  467    QB   LYS  47           QB       LYS  47  -6.771  -7.504   9.451
  468    QG   LYS  47           QG       LYS  47  -7.245  -5.947  11.135
  469    QD   LYS  47           QD       LYS  47  -5.595  -7.120  12.427
  470    QE   LYS  47           QE       LYS  47  -4.728  -4.846  11.915
  471    QZ   LYS  47           QZ       LYS  47  -3.297  -5.749  13.410
  472    HA   PRO  48           HA       PRO  48  -3.049  -9.261   6.649
  473   1HB   PRO  48           2HB      PRO  48  -4.520 -11.364   8.044
  474   2HB   PRO  48           3HB      PRO  48  -2.780 -11.119   7.923
  475   1HG   PRO  48           2HG      PRO  48  -4.547 -10.465  10.154
  476   2HG   PRO  48           3HG      PRO  48  -2.780 -10.455  10.105
  477   1HD   PRO  48           2HD      PRO  48  -4.359  -8.179  10.257
  478   2HD   PRO  48           3HD      PRO  48  -2.709  -8.155   9.675
  479    QB   PRO  48           QB       PRO  48  -3.650 -11.242   7.984
  480    QG   PRO  48           QG       PRO  48  -3.664 -10.460  10.129
  481    QD   PRO  48           QD       PRO  48  -3.535  -8.166   9.966
  482    H    HIS  49           HN       HIS  49  -4.039 -10.786   5.086
  483    HA   HIS  49           HA       HIS  49  -5.550 -10.884   3.265
  484   1HB   HIS  49           2HB      HIS  49  -7.181 -11.815   5.626
  485   2HB   HIS  49           3HB      HIS  49  -7.588 -12.125   3.961
  486    HD1  HIS  49           HD1      HIS  49  -7.415 -14.608   4.817
  487    HD2  HIS  49           HD2      HIS  49  -3.781 -12.698   4.523
  488    HE1  HIS  49           HE1      HIS  49  -5.659 -16.406   4.842
  489    QB   HIS  49           QB       HIS  49  -7.385 -11.970   4.793
  490    H    SER  50           HN       SER  50  -5.602  -8.238   4.401
  491    HA   SER  50           HA       SER  50  -8.459  -7.490   4.353
  492   1HB   SER  50           2HB      SER  50  -5.918  -5.871   4.756
  493   2HB   SER  50           3HB      SER  50  -7.549  -5.166   4.762
  494    HG   SER  50           HG       SER  50  -6.715  -7.410   6.323
  495    QB   SER  50           QB       SER  50  -6.733  -5.519   4.759
  496    H    THR  51           HN       THR  51  -5.625  -7.441   2.358
  497    HA   THR  51           HA       THR  51  -5.315  -6.849   0.103
  498    HB   THR  51           HB       THR  51  -8.173  -6.596  -0.370
  499    HG1  THR  51          1HG       THR  51  -8.262  -8.349   1.024
  500   1HG2  THR  51           2HG      THR  51  -6.048  -8.305  -1.692
  501   2HG2  THR  51           3HG      THR  51  -7.683  -8.088  -2.301
  502   3HG2  THR  51           1HG      THR  51  -6.564  -6.726  -2.269
  503    QG2  THR  51           QG2      THR  51  -6.765  -7.707  -2.087
  504    H    VAL  52           HN       VAL  52  -4.701  -4.932   0.073
  505    HA   VAL  52           HA       VAL  52  -6.490  -2.603   0.487
  506    HB   VAL  52           HB       VAL  52  -3.486  -2.749   0.868
  507   1HG1  VAL  52           2HG      VAL  52  -5.471  -0.487   1.355
  508   2HG1  VAL  52           3HG      VAL  52  -3.758  -0.445   1.755
  509   3HG1  VAL  52           1HG      VAL  52  -4.264  -0.533   0.073
  510   1HG2  VAL  52           3HG      VAL  52  -5.751  -2.473   2.871
  511   2HG2  VAL  52           1HG      VAL  52  -4.749  -3.904   2.666
  512   3HG2  VAL  52           2HG      VAL  52  -4.040  -2.408   3.262
  513    QG1  VAL  52           QG1      VAL  52  -4.498  -0.489   1.061
  514    QG2  VAL  52           QG2      VAL  52  -4.847  -2.928   2.934
  515    QQG  VAL  52           QQG      VAL  52  -4.672  -1.709   1.997
  516    H    ASP  53           HN       ASP  53  -6.912  -1.534  -1.254
  517    HA   ASP  53           HA       ASP  53  -5.045  -1.727  -3.575
  518   1HB   ASP  53           2HB      ASP  53  -8.046  -1.263  -3.543
  519   2HB   ASP  53           3HB      ASP  53  -7.057  -1.444  -4.977
  520    QB   ASP  53           QB       ASP  53  -7.552  -1.353  -4.260
  521    H    PHE  54           HN       PHE  54  -4.422   0.195  -4.472
  522    HA   PHE  54           HA       PHE  54  -5.643   2.702  -3.486
  523   1HB   PHE  54           2HB      PHE  54  -3.473   3.625  -2.785
  524   2HB   PHE  54           3HB      PHE  54  -3.782   2.142  -1.890
  525    HD1  PHE  54          2HD       PHE  54  -2.709  -0.035  -2.743
  526    HD2  PHE  54          1HD       PHE  54  -1.528   3.806  -4.169
  527    HE1  PHE  54          2HE       PHE  54  -0.626  -0.994  -3.626
  528    HE2  PHE  54          1HE       PHE  54   0.553   2.827  -5.035
  529    HZ   PHE  54           HZ       PHE  54   1.000   0.434  -4.769
  530    QB   PHE  54           QB       PHE  54  -3.627   2.884  -2.338
  531    QR   PHE  54           QR       PHE  54  -1.077   1.401  -3.894
  532    NH1  ARG  55           NH1      ARG  55  -6.336   6.062 -11.794
  533    NH2  ARG  55           NH2      ARG  55  -6.600   8.307 -12.108
  534    H    ARG  55           HN       ARG  55  -4.445   4.596  -4.566
  535    HA   ARG  55           HA       ARG  55  -3.670   3.824  -7.356
  536   1HB   ARG  55           2HB      ARG  55  -6.001   4.770  -7.278
  537   2HB   ARG  55           3HB      ARG  55  -5.354   6.228  -6.536
  538   1HG   ARG  55           2HG      ARG  55  -3.831   6.458  -8.577
  539   2HG   ARG  55           3HG      ARG  55  -4.733   5.138  -9.305
  540   1HD   ARG  55           2HD      ARG  55  -6.811   6.446  -9.160
  541   2HD   ARG  55           3HD      ARG  55  -5.954   7.740  -8.333
  542    HE   ARG  55           HE       ARG  55  -4.651   8.132 -10.427
  543   1HH1  ARG  55           2HH      ARG  55  -5.931   5.329 -11.250
  544   2HH1  ARG  55           1HH      ARG  55  -6.867   5.842 -12.611
  545   1HH2  ARG  55           2HH      ARG  55  -6.354   9.251 -11.825
  546   2HH2  ARG  55           1HH      ARG  55  -7.163   8.174 -12.917
  547    QB   ARG  55           QB       ARG  55  -5.678   5.498  -6.907
  548    QG   ARG  55           QG       ARG  55  -4.282   5.798  -8.941
  549    QD   ARG  55           QD       ARG  55  -6.382   7.093  -8.746
  550    QH1  ARG  55           QH1      ARG  55  -6.400   5.586 -11.930
  551    QH2  ARG  55           QH2      ARG  55  -6.758   8.712 -12.371
  552    H    VAL  56           HN       VAL  56  -2.101   5.141  -8.282
  553    HA   VAL  56           HA       VAL  56  -0.674   6.938  -6.394
  554    HB   VAL  56           HB       VAL  56   1.276   6.398  -7.957
  555   1HG1  VAL  56           3HG      VAL  56  -0.032   4.123  -6.451
  556   2HG1  VAL  56           1HG      VAL  56   1.668   4.184  -6.901
  557   3HG1  VAL  56           2HG      VAL  56   1.017   5.343  -5.746
  558   1HG2  VAL  56           3HG      VAL  56  -0.040   5.535  -9.858
  559   2HG2  VAL  56           1HG      VAL  56   1.103   4.329  -9.272
  560   3HG2  VAL  56           2HG      VAL  56  -0.603   4.200  -8.856
  561    QG1  VAL  56           QG1      VAL  56   0.884   4.550  -6.366
  562    QG2  VAL  56           QG2      VAL  56   0.154   4.688  -9.329
  563    QQG  VAL  56           QQG      VAL  56   0.519   4.619  -7.847
  564    H    LYS  57           HN       LYS  57   0.646   8.608  -7.657
  565    HA   LYS  57           HA       LYS  57  -1.232  10.024  -9.462
  566   1HB   LYS  57           2HB      LYS  57  -0.178  11.153  -7.467
  567   2HB   LYS  57           3HB      LYS  57   1.396  10.961  -8.215
  568   1HG   LYS  57           2HG      LYS  57   1.022  12.642  -9.753
  569   2HG   LYS  57           3HG      LYS  57  -0.683  12.257  -9.912
  570   1HD   LYS  57           2HD      LYS  57  -0.419  14.443  -8.829
  571   2HD   LYS  57           3HD      LYS  57  -1.124  13.296  -7.705
  572   1HE   LYS  57           2HE      LYS  57   0.582  14.559  -6.531
  573   2HE   LYS  57           3HE      LYS  57   1.155  12.909  -6.722
  574   1HZ   LYS  57           2HZ      LYS  57   2.000  14.337  -8.972
  575   2HZ   LYS  57           3HZ      LYS  57   2.364  15.286  -7.607
  576   3HZ   LYS  57           1HZ      LYS  57   2.940  13.691  -7.734
  577    QB   LYS  57           QB       LYS  57   0.609  11.057  -7.841
  578    QG   LYS  57           QG       LYS  57   0.169  12.449  -9.832
  579    QD   LYS  57           QD       LYS  57  -0.772  13.870  -8.267
  580    QE   LYS  57           QE       LYS  57   0.869  13.733  -6.626
  581    QZ   LYS  57           QZ       LYS  57   2.434  14.438  -8.104
  582    H    ALA  58           HN       ALA  58   1.867  11.085 -10.114
  583    HA   ALA  58           HA       ALA  58   2.126   9.226 -12.456
  584   1HB   ALA  58           1HB      ALA  58   2.553  12.239 -12.421
  585   2HB   ALA  58           2HB      ALA  58   2.882  11.186 -13.792
  586   3HB   ALA  58           3HB      ALA  58   1.232  11.388 -13.216
  587    QB   ALA  58           QB       ALA  58   2.222  11.604 -13.143
  588    H    GLU  59           HN       GLU  59   3.932  11.864 -10.913
  589    HA   GLU  59           HA       GLU  59   6.456  10.495 -11.356
  590   1HB   GLU  59           2HB      GLU  59   7.365  12.354  -9.828
  591   2HB   GLU  59           3HB      GLU  59   6.630  12.868 -11.334
  592   1HG   GLU  59           2HG      GLU  59   5.042  12.793  -8.753
  593   2HG   GLU  59           3HG      GLU  59   5.998  14.188  -9.213
  594    QB   GLU  59           QB       GLU  59   6.998  12.611 -10.580
  595    QG   GLU  59           QG       GLU  59   5.520  13.491  -8.982
  596    H    ASP  60           HN       ASP  60   4.315  11.080  -8.637
  597    HA   ASP  60           HA       ASP  60   5.694   9.958  -6.499
  598   1HB   ASP  60           2HB      ASP  60   2.758   9.450  -7.123
  599   2HB   ASP  60           3HB      ASP  60   3.515   9.298  -5.546
  600    QB   ASP  60           QB       ASP  60   3.136   9.374  -6.334
  601    H    ILE  61           HN       ILE  61   3.805   8.329  -8.969
  602    HA   ILE  61           HA       ILE  61   3.631   5.722  -8.342
  603    HB   ILE  61           HB       ILE  61   4.917   6.725 -10.917
  604   1HG1  ILE  61           2HG      ILE  61   2.010   6.260 -10.146
  605   2HG1  ILE  61           3HG      ILE  61   2.762   7.820 -10.421
  606   1HG2  ILE  61           2HG      ILE  61   5.139   4.258 -10.532
  607   2HG2  ILE  61           3HG      ILE  61   3.393   4.150 -10.338
  608   3HG2  ILE  61           1HG      ILE  61   4.087   4.616 -11.889
  609   1HD1  ILE  61           2HD      ILE  61   3.248   7.179 -12.763
  610   2HD1  ILE  61           3HD      ILE  61   2.467   5.629 -12.497
  611   3HD1  ILE  61           1HD      ILE  61   1.524   7.106 -12.419
  612    QG1  ILE  61           QG1      ILE  61   2.385   7.040 -10.283
  613    QG2  ILE  61           QG2      ILE  61   4.207   4.341 -10.920
  614    QD1  ILE  61           QD1      ILE  61   2.413   6.638 -12.560
  615    H    LEU  62           HN       LEU  62   6.657   7.041  -9.634
  616    HA   LEU  62           HA       LEU  62   8.318   4.843  -9.357
  617   1HB   LEU  62           2HB      LEU  62   9.044   7.024 -10.264
  618   2HB   LEU  62           3HB      LEU  62   8.996   7.718  -8.652
  619    HG   LEU  62           HG       LEU  62  10.681   5.878  -7.979
  620   1HD1  LEU  62           3HD      LEU  62  10.915   5.699 -11.006
  621   2HD1  LEU  62           1HD      LEU  62  12.031   4.971  -9.854
  622   3HD1  LEU  62           2HD      LEU  62  10.364   4.415  -9.933
  623   1HD2  LEU  62           3HD      LEU  62  11.511   7.978 -10.008
  624   2HD2  LEU  62           1HD      LEU  62  11.304   8.243  -8.279
  625   3HD2  LEU  62           2HD      LEU  62  12.585   7.183  -8.859
  626    QB   LEU  62           QB       LEU  62   9.020   7.371  -9.458
  627    QD1  LEU  62           QD1      LEU  62  11.103   5.029 -10.265
  628    QD2  LEU  62           QD2      LEU  62  11.800   7.801  -9.049
  629    QQD  LEU  62           QQD      LEU  62  11.452   6.414  -9.657
  630    H    ALA  63           HN       ALA  63   7.736   7.243  -6.766
  631    HA   ALA  63           HA       ALA  63   9.296   5.739  -4.837
  632   1HB   ALA  63           2HB      ALA  63   7.268   7.962  -4.415
  633   2HB   ALA  63           3HB      ALA  63   8.375   7.350  -3.187
  634   3HB   ALA  63           1HB      ALA  63   9.006   8.171  -4.611
  635    QB   ALA  63           QB       ALA  63   8.216   7.828  -4.071
  636    H    VAL  64           HN       VAL  64   5.877   5.791  -5.691
  637    HA   VAL  64           HA       VAL  64   5.123   4.313  -3.244
  638    HB   VAL  64           HB       VAL  64   3.466   4.365  -5.787
  639   1HG1  VAL  64           1HG      VAL  64   2.787   4.383  -2.820
  640   2HG1  VAL  64           2HG      VAL  64   1.609   4.341  -4.122
  641   3HG1  VAL  64           3HG      VAL  64   2.700   2.981  -3.878
  642   1HG2  VAL  64           3HG      VAL  64   3.662   6.581  -3.709
  643   2HG2  VAL  64           1HG      VAL  64   4.203   6.689  -5.373
  644   3HG2  VAL  64           2HG      VAL  64   2.496   6.525  -5.028
  645    QG1  VAL  64           QG1      VAL  64   2.366   3.902  -3.607
  646    QG2  VAL  64           QG2      VAL  64   3.454   6.598  -4.703
  647    QQG  VAL  64           QQG      VAL  64   2.910   5.250  -4.155
  648    H    GLU  65           HN       GLU  65   6.054   3.549  -6.513
  649    HA   GLU  65           HA       GLU  65   5.415   0.714  -6.294
  650   1HB   GLU  65           2HB      GLU  65   7.370   2.202  -8.125
  651   2HB   GLU  65           3HB      GLU  65   7.037   0.484  -8.239
  652   1HG   GLU  65           2HG      GLU  65   4.564   1.151  -8.593
  653   2HG   GLU  65           3HG      GLU  65   5.143   2.791  -8.841
  654    QB   GLU  65           QB       GLU  65   7.204   1.344  -8.181
  655    QG   GLU  65           QG       GLU  65   4.853   1.971  -8.717
  656    H    ASP  66           HN       ASP  66   8.433   2.566  -6.399
  657    HA   ASP  66           HA       ASP  66  10.383   0.892  -5.497
  658   1HB   ASP  66           2HB      ASP  66  10.892   3.222  -5.838
  659   2HB   ASP  66           3HB      ASP  66   9.742   3.734  -4.624
  660    QB   ASP  66           QB       ASP  66  10.317   3.478  -5.231
  661    H    PHE  67           HN       PHE  67   8.493   2.758  -3.121
  662    HA   PHE  67           HA       PHE  67   9.229   1.533  -0.761
  663   1HB   PHE  67           2HB      PHE  67   7.507   3.350  -0.950
  664   2HB   PHE  67           3HB      PHE  67   6.346   2.158  -1.520
  665    HD1  PHE  67          1HD       PHE  67   5.755   0.203   0.007
  666    HD2  PHE  67          2HD       PHE  67   7.929   3.583   1.411
  667    HE1  PHE  67          1HE       PHE  67   5.377  -0.514   2.313
  668    HE2  PHE  67          2HE       PHE  67   7.474   2.894   3.733
  669    HZ   PHE  67           HZ       PHE  67   6.235   0.812   4.177
  670    QB   PHE  67           QB       PHE  67   6.927   2.755  -1.235
  671    QR   PHE  67           QR       PHE  67   6.634   1.541   1.866
  672    H    LEU  68           HN       LEU  68   6.576   0.284  -2.824
  673    HA   LEU  68           HA       LEU  68   6.260  -2.122  -1.215
  674   1HB   LEU  68           2HB      LEU  68   5.552  -1.603  -4.125
  675   2HB   LEU  68           3HB      LEU  68   5.041  -3.021  -3.223
  676    HG   LEU  68           HG       LEU  68   4.434  -0.271  -2.127
  677   1HD1  LEU  68           1HD      LEU  68   3.670  -0.277  -4.493
  678   2HD1  LEU  68           2HD      LEU  68   2.786  -1.772  -4.195
  679   3HD1  LEU  68           3HD      LEU  68   2.313  -0.288  -3.372
  680   1HD2  LEU  68           2HD      LEU  68   3.989  -2.297  -0.744
  681   2HD2  LEU  68           3HD      LEU  68   2.496  -1.478  -1.171
  682   3HD2  LEU  68           1HD      LEU  68   2.971  -2.949  -2.022
  683    QB   LEU  68           QB       LEU  68   5.296  -2.312  -3.674
  684    QD1  LEU  68           QD1      LEU  68   2.922  -0.779  -4.020
  685    QD2  LEU  68           QD2      LEU  68   3.152  -2.241  -1.312
  686    QQD  LEU  68           QQD      LEU  68   3.038  -1.510  -2.666
  687    H    GLU  69           HN       GLU  69   7.798  -1.599  -4.360
  688    HA   GLU  69           HA       GLU  69   8.794  -4.118  -4.954
  689   1HB   GLU  69           2HB      GLU  69  10.286  -1.496  -5.307
  690   2HB   GLU  69           3HB      GLU  69  10.484  -2.925  -6.294
  691   1HG   GLU  69           2HG      GLU  69   7.687  -2.283  -6.290
  692   2HG   GLU  69           3HG      GLU  69   8.574  -0.799  -6.577
  693    QB   GLU  69           QB       GLU  69  10.385  -2.211  -5.801
  694    QG   GLU  69           QG       GLU  69   8.131  -1.541  -6.434
  695    H    GLN  70           HN       GLN  70  10.602  -1.618  -3.270
  696    HA   GLN  70           HA       GLN  70  12.981  -2.653  -2.599
  697   1HB   GLN  70           2HB      GLN  70  11.024  -1.205  -0.803
  698   2HB   GLN  70           3HB      GLN  70  12.620  -1.651  -0.219
  699   1HG   GLN  70           2HG      GLN  70  13.631  -0.415  -2.148
  700   2HG   GLN  70           3HG      GLN  70  12.022   0.095  -2.629
  701   1HE2  GLN  70           2HE      GLN  70  12.092   2.795  -0.377
  702   2HE2  GLN  70           1HE      GLN  70  11.516   2.137  -1.835
  703    QB   GLN  70           QB       GLN  70  11.822  -1.429  -0.511
  704    QG   GLN  70           QG       GLN  70  12.827  -0.160  -2.389
  705    QE2  GLN  70           QE2      GLN  70  11.804   2.466  -1.106
  706    H    ASN  71           HN       ASN  71  10.200  -3.342  -0.528
  707    HA   ASN  71           HA       ASN  71  11.694  -5.682   0.563
  708   1HB   ASN  71           2HB      ASN  71   9.197  -4.647   1.862
  709   2HB   ASN  71           3HB      ASN  71  10.672  -5.257   2.592
  710   1HD2  ASN  71           2HD      ASN  71  10.319  -1.280   1.815
  711   2HD2  ASN  71           1HD      ASN  71   9.141  -2.354   1.246
  712    QB   ASN  71           QB       ASN  71   9.934  -4.952   2.227
  713    QD2  ASN  71           QD2      ASN  71   9.730  -1.817   1.531
  714    H    GLU  72           HN       GLU  72  10.423  -5.995  -1.934
  715    HA   GLU  72           HA       GLU  72   8.532  -7.031  -2.991
  716   1HB   GLU  72           2HB      GLU  72  10.384  -8.725  -2.272
  717   2HB   GLU  72           3HB      GLU  72   9.241  -9.223  -1.034
  718   1HG   GLU  72           2HG      GLU  72   7.523  -9.525  -2.903
  719   2HG   GLU  72           3HG      GLU  72   8.851  -9.311  -4.040
  720    QB   GLU  72           QB       GLU  72   9.812  -8.975  -1.654
  721    QG   GLU  72           QG       GLU  72   8.187  -9.418  -3.472
  722    H    LEU  73           HN       LEU  73   7.401  -5.363  -1.289
  723    HA   LEU  73           HA       LEU  73   5.735  -6.685   0.664
  724   1HB   LEU  73           2HB      LEU  73   6.571  -4.150   0.468
  725   2HB   LEU  73           3HB      LEU  73   5.069  -3.971  -0.429
  726    HG   LEU  73           HG       LEU  73   3.919  -5.157   1.531
  727   1HD1  LEU  73           1HD      LEU  73   6.570  -4.501   2.878
  728   2HD1  LEU  73           2HD      LEU  73   5.128  -5.084   3.696
  729   3HD1  LEU  73           3HD      LEU  73   5.967  -6.120   2.556
  730   1HD2  LEU  73           1HD      LEU  73   3.794  -2.694   1.211
  731   2HD2  LEU  73           2HD      LEU  73   3.858  -3.103   2.917
  732   3HD2  LEU  73           3HD      LEU  73   5.301  -2.508   2.102
  733    QB   LEU  73           QB       LEU  73   5.821  -4.060   0.020
  734    QD1  LEU  73           QD1      LEU  73   5.888  -5.235   3.043
  735    QD2  LEU  73           QD2      LEU  73   4.318  -2.768   2.077
  736    QQD  LEU  73           QQD      LEU  73   5.103  -4.002   2.560
  737    H    GLN  74           HN       GLN  74   5.052  -8.247  -0.704
  738    HA   GLN  74           HA       GLN  74   3.802  -8.988  -2.699
  739   1HB   GLN  74           2HB      GLN  74   1.877  -8.684  -0.375
  740   2HB   GLN  74           3HB      GLN  74   1.937  -9.982  -1.563
  741   1HG   GLN  74           2HG      GLN  74   4.353 -10.417  -0.688
  742   2HG   GLN  74           3HG      GLN  74   3.911  -9.386   0.668
  743   1HE2  GLN  74           2HE      GLN  74   1.179 -12.259   0.883
  744   2HE2  GLN  74           1HE      GLN  74   1.026 -10.831  -0.031
  745    QB   GLN  74           QB       GLN  74   1.907  -9.333  -0.969
  746    QG   GLN  74           QG       GLN  74   4.132  -9.902  -0.010
  747    QE2  GLN  74           QE2      GLN  74   1.103 -11.544   0.425
  748    OH   TYR  75           OH       TYR  75   7.896  -5.525  -6.765
  749    H    TYR  75           HN       TYR  75   3.540  -7.360  -4.276
  750    HA   TYR  75           HA       TYR  75   0.933  -5.908  -4.080
  751   1HB   TYR  75           2HB      TYR  75   1.981  -4.244  -5.724
  752   2HB   TYR  75           3HB      TYR  75   2.591  -4.187  -4.080
  753    HD1  TYR  75           HD1      TYR  75   4.687  -5.808  -3.654
  754    HD2  TYR  75           HD2      TYR  75   3.594  -4.268  -7.459
  755    HE1  TYR  75           HE1      TYR  75   6.981  -6.079  -4.416
  756    HE2  TYR  75           HE2      TYR  75   5.922  -4.507  -8.211
  757    HH   TYR  75           HH       TYR  75   8.152  -4.790  -7.349
  758    QB   TYR  75           QB       TYR  75   2.286  -4.215  -4.902
  759    QR   TYR  75           QR       TYR  75   5.296  -5.165  -5.935
  760    H    GLU  76           HN       GLU  76  -0.419  -6.061  -5.786
  761    HA   GLU  76           HA       GLU  76   0.413  -7.927  -7.976
  762   1HB   GLU  76           2HB      GLU  76  -2.400  -7.547  -6.892
  763   2HB   GLU  76           3HB      GLU  76  -1.823  -8.836  -7.937
  764   1HG   GLU  76           2HG      GLU  76  -1.853  -9.881  -5.817
  765   2HG   GLU  76           3HG      GLU  76  -0.176  -9.386  -5.969
  766    QB   GLU  76           QB       GLU  76  -2.112  -8.191  -7.415
  767    QG   GLU  76           QG       GLU  76  -1.015  -9.633  -5.893
  768    H    VAL  77           HN       VAL  77   0.409  -7.012  -9.944
  769    HA   VAL  77           HA       VAL  77  -1.531  -4.814 -10.561
  770    HB   VAL  77           HB       VAL  77   1.396  -4.843 -11.412
  771   1HG1  VAL  77           3HG      VAL  77  -0.135  -3.673 -12.985
  772   2HG1  VAL  77           1HG      VAL  77  -0.754  -2.699 -11.653
  773   3HG1  VAL  77           2HG      VAL  77   0.926  -2.535 -12.161
  774   1HG2  VAL  77           1HG      VAL  77   0.014  -3.172  -9.281
  775   2HG2  VAL  77           2HG      VAL  77   1.236  -4.405  -8.996
  776   3HG2  VAL  77           3HG      VAL  77   1.662  -2.924  -9.849
  777    QG1  VAL  77           QG1      VAL  77   0.012  -2.969 -12.266
  778    QG2  VAL  77           QG2      VAL  77   0.971  -3.500  -9.375
  779    QQG  VAL  77           QQG      VAL  77   0.491  -3.234 -10.821
  780    H    LEU  78           HN       LEU  78  -2.490  -5.066 -12.575
  781    HA   LEU  78           HA       LEU  78  -1.379  -7.230 -14.330
  782   1HB   LEU  78           2HB      LEU  78  -4.278  -6.364 -14.008
  783   2HB   LEU  78           3HB      LEU  78  -3.703  -7.635 -15.081
  784    HG   LEU  78           HG       LEU  78  -2.613  -8.257 -12.547
  785   1HD1  LEU  78           2HD      LEU  78  -5.535  -7.446 -12.360
  786   2HD1  LEU  78           3HD      LEU  78  -4.655  -8.343 -11.127
  787   3HD1  LEU  78           1HD      LEU  78  -4.188  -6.694 -11.512
  788   1HD2  LEU  78           2HD      LEU  78  -5.062  -9.395 -13.953
  789   2HD2  LEU  78           3HD      LEU  78  -3.394  -9.878 -14.257
  790   3HD2  LEU  78           1HD      LEU  78  -4.135 -10.205 -12.695
  791    QB   LEU  78           QB       LEU  78  -3.991  -7.000 -14.545
  792    QD1  LEU  78           QD1      LEU  78  -4.793  -7.494 -11.666
  793    QD2  LEU  78           QD2      LEU  78  -4.197  -9.825 -13.635
  794    QQD  LEU  78           QQD      LEU  78  -4.495  -8.660 -12.651
  795    H    ILE  79           HN       ILE  79  -3.804  -6.032 -16.072
  796    HA   ILE  79           HA       ILE  79  -2.104  -3.923 -17.349
  797    HB   ILE  79           HB       ILE  79  -4.033  -5.811 -18.762
  798   1HG1  ILE  79           2HG      ILE  79  -0.994  -5.961 -18.583
  799   2HG1  ILE  79           3HG      ILE  79  -2.091  -7.016 -17.704
  800   1HG2  ILE  79           2HG      ILE  79  -3.540  -3.641 -19.911
  801   2HG2  ILE  79           3HG      ILE  79  -1.822  -4.005 -19.824
  802   3HG2  ILE  79           1HG      ILE  79  -2.889  -5.012 -20.796
  803   1HD1  ILE  79           3HD      ILE  79  -3.049  -7.799 -19.874
  804   2HD1  ILE  79           1HD      ILE  79  -1.882  -6.797 -20.733
  805   3HD1  ILE  79           2HD      ILE  79  -1.327  -8.141 -19.744
  806    QG1  ILE  79           QG1      ILE  79  -1.543  -6.488 -18.143
  807    QG2  ILE  79           QG2      ILE  79  -2.750  -4.219 -20.177
  808    QD1  ILE  79           QD1      ILE  79  -2.086  -7.579 -20.117
  809    H    ASN  80           HN       ASN  80  -3.565  -2.749 -15.628
  810    HA   ASN  80           HA       ASN  80  -5.085  -0.762 -16.582
  811   1HB   ASN  80           2HB      ASN  80  -6.615  -2.341 -17.806
  812   2HB   ASN  80           3HB      ASN  80  -7.081  -3.048 -16.270
  813   1HD2  ASN  80           2HD      ASN  80  -8.244   0.804 -16.107
  814   2HD2  ASN  80           1HD      ASN  80  -6.626   0.347 -15.858
  815    QB   ASN  80           QB       ASN  80  -6.848  -2.694 -17.038
  816    QD2  ASN  80           QD2      ASN  80  -7.435   0.576 -15.982
  817    H    ASN  81           HN       ASN  81  -5.371  -3.403 -14.256
  818    HA   ASN  81           HA       ASN  81  -5.590  -1.373 -12.116
  819   1HB   ASN  81           2HB      ASN  81  -7.326  -2.697 -10.923
  820   2HB   ASN  81           3HB      ASN  81  -7.895  -2.030 -12.439
  821   1HD2  ASN  81                 ASN  81  -7.207  -5.821 -13.403
  822   2HD2  ASN  81           1HD      ASN  81  -5.963  -4.671 -13.273
  823    QB   ASN  81           QB       ASN  81  -7.611  -2.364 -11.681
  824    QD2  ASN  81           QD2      ASN  81  -6.586  -5.246 -13.338
   
  Start of MODEL          11
 Raw file had 824 H/Q atoms
  Start of MODEL   11
    1   1H    HIS   1           HN3      HIS   1  -2.240   4.189 -28.457
    2   2H    HIS   1           HN1      HIS   1  -0.726   3.897 -27.853
    3   3H    HIS   1           HN2      HIS   1  -0.927   4.218 -29.465
    4    HA   HIS   1           HA       HIS   1  -1.129   2.093 -29.909
    5   1HB   HIS   1           2HB      HIS   1  -1.105   1.733 -26.903
    6   2HB   HIS   1           3HB      HIS   1  -0.981   0.433 -28.057
    7    HD1  HIS   1           HD1      HIS   1   0.952   3.243 -26.636
    8    HD2  HIS   1           HD2      HIS   1   1.608   0.174 -29.315
    9    HE1  HIS   1           HE1      HIS   1   3.420   3.222 -27.120
   10    QB   HIS   1           QB       HIS   1  -1.043   1.083 -27.480
   11    H    HIS   2           HN       HIS   2  -3.304   3.126 -27.306
   12    HA   HIS   2           HA       HIS   2  -5.443   1.401 -28.492
   13   1HB   HIS   2           2HB      HIS   2  -5.667   2.623 -25.764
   14   2HB   HIS   2           3HB      HIS   2  -6.383   1.158 -26.371
   15    HD1  HIS   2           HD1      HIS   2  -2.989   2.429 -25.502
   16    HD2  HIS   2           HD2      HIS   2  -5.026  -1.153 -25.477
   17    HE1  HIS   2           HE1      HIS   2  -1.459   0.748 -24.430
   18    QB   HIS   2           QB       HIS   2  -6.026   1.890 -26.068
   19    H    SER   3           HN       SER   3  -7.683   2.349 -28.172
   20    HA   SER   3           HA       SER   3  -7.727   5.071 -29.256
   21   1HB   SER   3           2HB      SER   3  -9.351   3.319 -30.039
   22   2HB   SER   3           3HB      SER   3 -10.058   3.279 -28.412
   23    HG   SER   3           HG       SER   3 -10.617   5.409 -28.598
   24    QB   SER   3           QB       SER   3  -9.705   3.299 -29.226
   25    H    GLY   4           HN       GLY   4  -6.613   5.831 -27.285
   26   1HA   GLY   4           1HA      GLY   4  -7.494   7.675 -25.703
   27   2HA   GLY   4           2HA      GLY   4  -8.493   6.393 -25.009
   28    QA   GLY   4           QA       GLY   4  -7.994   7.034 -25.356
   29    H    GLU   5           HN       GLU   5  -5.267   6.240 -26.219
   30    HA   GLU   5           HA       GLU   5  -3.833   4.595 -24.848
   31   1HB   GLU   5           2HB      GLU   5  -2.954   6.538 -26.264
   32   2HB   GLU   5           3HB      GLU   5  -2.890   7.473 -24.774
   33   1HG   GLU   5           2HG      GLU   5  -0.723   6.563 -24.866
   34   2HG   GLU   5           3HG      GLU   5  -1.548   5.392 -23.851
   35    QB   GLU   5           QB       GLU   5  -2.921   7.006 -25.519
   36    QG   GLU   5           QG       GLU   5  -1.136   5.977 -24.358
   37    H    HIS   6           HN       HIS   6  -4.060   3.801 -22.851
   38    HA   HIS   6           HA       HIS   6  -3.944   5.778 -20.601
   39   1HB   HIS   6           2HB      HIS   6  -6.072   4.525 -20.697
   40   2HB   HIS   6           3HB      HIS   6  -5.191   3.020 -20.617
   41    HD1  HIS   6           HD1      HIS   6  -4.705   6.098 -18.574
   42    HD2  HIS   6           HD2      HIS   6  -5.645   2.136 -17.993
   43    HE1  HIS   6           HE1      HIS   6  -4.838   5.751 -16.078
   44    QB   HIS   6           QB       HIS   6  -5.632   3.772 -20.658
   45    H    PHE   7           HN       PHE   7  -1.703   4.797 -21.970
   46    HA   PHE   7           HA       PHE   7  -0.404   2.596 -20.717
   47   1HB   PHE   7           2HB      PHE   7   0.550   3.564 -22.735
   48   2HB   PHE   7           3HB      PHE   7   0.709   5.139 -21.966
   49    HD1  PHE   7          1HD       PHE   7   1.720   1.603 -21.124
   50    HD2  PHE   7          2HD       PHE   7   2.895   5.688 -21.398
   51    HE1  PHE   7          1HE       PHE   7   3.962   1.015 -20.318
   52    HE2  PHE   7          2HE       PHE   7   5.144   5.091 -20.610
   53    HZ   PHE   7           HZ       PHE   7   5.685   2.751 -20.089
   54    QB   PHE   7           QB       PHE   7   0.630   4.351 -22.350
   55    QR   PHE   7           QR       PHE   7   3.430   3.349 -20.862
   56    H    GLU   8           HN       GLU   8  -0.125   6.055 -20.046
   57    HA   GLU   8           HA       GLU   8   0.873   5.423 -17.301
   58   1HB   GLU   8           2HB      GLU   8   2.392   6.754 -18.730
   59   2HB   GLU   8           3HB      GLU   8   1.117   7.922 -19.030
   60   1HG   GLU   8           2HG      GLU   8   2.775   8.649 -17.291
   61   2HG   GLU   8           3HG      GLU   8   1.126   8.621 -16.698
   62    QB   GLU   8           QB       GLU   8   1.754   7.338 -18.880
   63    QG   GLU   8           QG       GLU   8   1.950   8.635 -16.995
   64    H    GLY   9           HN       GLY   9   0.165   7.291 -15.738
   65   1HA   GLY   9           1HA      GLY   9  -1.538   8.678 -14.855
   66   2HA   GLY   9           2HA      GLY   9  -2.476   8.425 -16.322
   67    QA   GLY   9           QA       GLY   9  -2.007   8.551 -15.589
   68    H    GLU  10           HN       GLU  10  -3.586   8.422 -13.919
   69    HA   GLU  10           HA       GLU  10  -4.379   6.986 -12.172
   70   1HB   GLU  10           2HB      GLU  10  -6.262   6.598 -14.472
   71   2HB   GLU  10           3HB      GLU  10  -6.647   6.826 -12.776
   72   1HG   GLU  10           2HG      GLU  10  -5.440   8.911 -14.636
   73   2HG   GLU  10           3HG      GLU  10  -7.068   8.912 -13.990
   74    QB   GLU  10           QB       GLU  10  -6.455   6.713 -13.624
   75    QG   GLU  10           QG       GLU  10  -6.254   8.911 -14.313
   76    H    LYS  11           HN       LYS  11  -3.159   5.205 -11.681
   77    HA   LYS  11           HA       LYS  11  -4.284   2.635 -12.663
   78   1HB   LYS  11           2HB      LYS  11  -1.707   3.500 -13.057
   79   2HB   LYS  11           3HB      LYS  11  -1.574   2.151 -12.044
   80   1HG   LYS  11           2HG      LYS  11  -1.448   1.201 -14.200
   81   2HG   LYS  11           3HG      LYS  11  -3.121   0.972 -13.728
   82   1HD   LYS  11           2HD      LYS  11  -3.229   1.766 -15.960
   83   2HD   LYS  11           3HD      LYS  11  -3.621   3.163 -14.979
   84   1HE   LYS  11           2HE      LYS  11  -1.217   3.895 -15.137
   85   2HE   LYS  11           3HE      LYS  11  -0.922   2.549 -16.231
   86   1HZ   LYS  11           2HZ      LYS  11  -3.172   3.909 -17.160
   87   2HZ   LYS  11           3HZ      LYS  11  -2.004   5.075 -16.813
   88   3HZ   LYS  11           1HZ      LYS  11  -1.646   3.801 -17.896
   89    QB   LYS  11           QB       LYS  11  -1.641   2.826 -12.551
   90    QG   LYS  11           QG       LYS  11  -2.284   1.086 -13.963
   91    QD   LYS  11           QD       LYS  11  -3.424   2.464 -15.470
   92    QE   LYS  11           QE       LYS  11  -1.069   3.222 -15.684
   93    QZ   LYS  11           QZ       LYS  11  -2.275   4.262 -17.290
   94    H    VAL  12           HN       VAL  12  -4.898   1.953 -11.192
   95    HA   VAL  12           HA       VAL  12  -4.020   2.425  -8.348
   96    HB   VAL  12           HB       VAL  12  -6.805   1.400  -8.989
   97   1HG1  VAL  12           1HG      VAL  12  -5.930   1.259  -6.649
   98   2HG1  VAL  12           2HG      VAL  12  -5.657   2.995  -6.650
   99   3HG1  VAL  12           3HG      VAL  12  -7.300   2.366  -6.750
  100   1HG2  VAL  12           3HG      VAL  12  -6.555   3.518 -10.246
  101   2HG2  VAL  12           1HG      VAL  12  -7.671   3.693  -8.894
  102   3HG2  VAL  12           2HG      VAL  12  -6.038   4.317  -8.774
  103    QG1  VAL  12           QG1      VAL  12  -6.295   2.206  -6.683
  104    QG2  VAL  12           QG2      VAL  12  -6.754   3.842  -9.304
  105    QQG  VAL  12           QQG      VAL  12  -6.525   3.025  -7.994
  106    H    PHE  13           HN       PHE  13  -2.905   0.701  -7.665
  107    HA   PHE  13           HA       PHE  13  -4.029  -1.982  -8.339
  108   1HB   PHE  13           2HB      PHE  13  -1.458  -2.615  -7.794
  109   2HB   PHE  13           3HB      PHE  13  -2.053  -2.284  -9.409
  110    HD1  PHE  13          1HD       PHE  13  -1.964   0.247 -10.173
  111    HD2  PHE  13          2HD       PHE  13   0.345  -1.359  -6.970
  112    HE1  PHE  13          1HE       PHE  13  -0.238   1.935 -10.577
  113    HE2  PHE  13          2HE       PHE  13   2.094   0.296  -7.422
  114    HZ   PHE  13           HZ       PHE  13   1.856   1.900  -9.242
  115    QB   PHE  13           QB       PHE  13  -1.755  -2.450  -8.601
  116    QR   PHE  13           QR       PHE  13   0.059   0.280  -8.785
  117    NH1  ARG  14           NH1      ARG  14  -7.521  -3.919  -2.763
  118    NH2  ARG  14           NH2      ARG  14  -8.899  -4.291  -4.534
  119    H    ARG  14           HN       ARG  14  -2.877  -3.615  -6.499
  120    HA   ARG  14           HA       ARG  14  -3.278  -2.156  -3.960
  121   1HB   ARG  14           2HB      ARG  14  -4.462  -4.288  -3.207
  122   2HB   ARG  14           3HB      ARG  14  -5.347  -3.205  -4.253
  123   1HG   ARG  14           2HG      ARG  14  -4.123  -4.878  -6.077
  124   2HG   ARG  14           3HG      ARG  14  -4.390  -5.972  -4.731
  125   1HD   ARG  14           2HD      ARG  14  -6.514  -4.189  -5.954
  126   2HD   ARG  14           3HD      ARG  14  -6.359  -5.902  -6.274
  127    HE   ARG  14           HE       ARG  14  -6.835  -6.267  -3.823
  128   1HH1  ARG  14           2HH      ARG  14  -6.679  -4.141  -2.274
  129   2HH1  ARG  14           1HH      ARG  14  -8.147  -3.223  -2.399
  130   1HH2  ARG  14           2HH      ARG  14  -9.102  -4.777  -5.387
  131   2HH2  ARG  14           1HH      ARG  14  -9.535  -3.591  -4.199
  132    QB   ARG  14           QB       ARG  14  -4.904  -3.747  -3.730
  133    QG   ARG  14           QG       ARG  14  -4.256  -5.425  -5.404
  134    QD   ARG  14           QD       ARG  14  -6.436  -5.046  -6.113
  135    QH1  ARG  14           QH1      ARG  14  -7.412  -3.682  -2.336
  136    QH2  ARG  14           QH2      ARG  14  -9.319  -4.184  -4.793
  137    H    VAL  15           HN       VAL  15  -2.664  -3.220  -2.072
  138    HA   VAL  15           HA       VAL  15  -0.117  -4.763  -2.404
  139    HB   VAL  15           HB       VAL  15  -1.073  -3.373   0.119
  140   1HG1  VAL  15           2HG      VAL  15   0.864  -4.907   0.240
  141   2HG1  VAL  15           3HG      VAL  15   1.687  -3.969  -0.993
  142   3HG1  VAL  15           1HG      VAL  15   1.350  -3.248   0.581
  143   1HG2  VAL  15           2HG      VAL  15   0.474  -2.085  -2.161
  144   2HG2  VAL  15           3HG      VAL  15  -1.170  -1.668  -1.678
  145   3HG2  VAL  15           1HG      VAL  15   0.178  -1.344  -0.594
  146    QG1  VAL  15           QG1      VAL  15   1.300  -4.041  -0.058
  147    QG2  VAL  15           QG2      VAL  15  -0.172  -1.699  -1.478
  148    QQG  VAL  15           QQG      VAL  15   0.564  -2.870  -0.768
  149    H    ASN  16           HN       ASN  16   0.082  -6.676  -1.050
  150    HA   ASN  16           HA       ASN  16  -2.594  -7.753  -0.321
  151   1HB   ASN  16           2HB      ASN  16   0.101  -9.073  -0.735
  152   2HB   ASN  16           3HB      ASN  16  -1.333  -9.931  -0.201
  153   1HD2  ASN  16           2HD      ASN  16  -2.233 -10.439  -3.553
  154   2HD2  ASN  16           1HD      ASN  16  -2.044 -11.082  -1.990
  155    QB   ASN  16           QB       ASN  16  -0.616  -9.501  -0.468
  156    QD2  ASN  16           QD2      ASN  16  -2.139 -10.761  -2.771
  157    H    VAL  17           HN       VAL  17  -2.978  -8.636   1.701
  158    HA   VAL  17           HA       VAL  17  -1.079  -7.736   3.808
  159    HB   VAL  17           HB       VAL  17  -4.046  -8.130   4.273
  160   1HG1  VAL  17           1HG      VAL  17  -2.512  -7.813   6.192
  161   2HG1  VAL  17           2HG      VAL  17  -1.937  -6.303   5.487
  162   3HG1  VAL  17           3HG      VAL  17  -3.608  -6.445   6.027
  163   1HG2  VAL  17           2HG      VAL  17  -2.714  -5.596   3.222
  164   2HG2  VAL  17           3HG      VAL  17  -3.852  -6.590   2.326
  165   3HG2  VAL  17           1HG      VAL  17  -4.387  -5.722   3.758
  166    QG1  VAL  17           QG1      VAL  17  -2.686  -6.853   5.902
  167    QG2  VAL  17           QG2      VAL  17  -3.651  -5.969   3.102
  168    QQG  VAL  17           QQG      VAL  17  -3.168  -6.412   4.502
  169    H    GLU  18           HN       GLU  18  -0.050  -9.781   3.484
  170    HA   GLU  18           HA       GLU  18  -1.385 -12.271   4.038
  171   1HB   GLU  18           2HB      GLU  18   1.488 -11.348   3.931
  172   2HB   GLU  18           3HB      GLU  18   1.118 -12.950   4.555
  173   1HG   GLU  18           2HG      GLU  18   1.560 -12.981   2.091
  174   2HG   GLU  18           3HG      GLU  18  -0.065 -13.527   2.481
  175    QB   GLU  18           QB       GLU  18   1.303 -12.149   4.242
  176    QG   GLU  18           QG       GLU  18   0.747 -13.254   2.286
  177    H    ASP  19           HN       ASP  19   0.731 -10.218   5.995
  178    HA   ASP  19           HA       ASP  19  -0.773 -11.009   8.417
  179   1HB   ASP  19           2HB      ASP  19   1.215 -11.619   9.676
  180   2HB   ASP  19           3HB      ASP  19   1.238 -12.571   8.214
  181    QB   ASP  19           QB       ASP  19   1.226 -12.095   8.945
  182    H    GLU  20           HN       GLU  20   1.017  -9.791  10.165
  183    HA   GLU  20           HA       GLU  20   0.332  -7.046   9.882
  184   1HB   GLU  20           2HB      GLU  20   2.155  -8.616  11.700
  185   2HB   GLU  20           3HB      GLU  20   2.132  -6.873  11.768
  186   1HG   GLU  20           2HG      GLU  20   0.445  -7.281  13.302
  187   2HG   GLU  20           3HG      GLU  20  -0.528  -7.298  11.837
  188    QB   GLU  20           QB       GLU  20   2.144  -7.745  11.734
  189    QG   GLU  20           QG       GLU  20  -0.041  -7.290  12.569
  190    H    ASN  21           HN       ASN  21   3.221  -8.859   9.027
  191    HA   ASN  21           HA       ASN  21   5.140  -6.887   8.708
  192   1HB   ASN  21           2HB      ASN  21   5.336  -9.314   8.022
  193   2HB   ASN  21           3HB      ASN  21   4.464  -8.920   6.553
  194   1HD2  ASN  21           2HD      ASN  21   7.530  -6.583   5.971
  195   2HD2  ASN  21           1HD      ASN  21   6.028  -6.129   6.615
  196    QB   ASN  21           QB       ASN  21   4.900  -9.117   7.288
  197    QD2  ASN  21           QD2      ASN  21   6.779  -6.357   6.293
  198    H    ASP  22           HN       ASP  22   2.940  -7.717   6.025
  199    HA   ASP  22           HA       ASP  22   3.469  -5.498   4.370
  200   1HB   ASP  22           2HB      ASP  22   1.999  -7.250   3.529
  201   2HB   ASP  22           3HB      ASP  22   0.837  -6.972   4.816
  202    QB   ASP  22           QB       ASP  22   1.419  -7.111   4.172
  203    H    ILE  23           HN       ILE  23   0.807  -5.801   6.680
  204    HA   ILE  23           HA       ILE  23  -0.356  -3.318   6.571
  205    HB   ILE  23           HB       ILE  23   0.393  -4.902   9.064
  206   1HG1  ILE  23           2HG      ILE  23  -2.105  -4.791   7.340
  207   2HG1  ILE  23           3HG      ILE  23  -0.953  -6.115   7.397
  208   1HG2  ILE  23           3HG      ILE  23  -0.175  -2.528   9.617
  209   2HG2  ILE  23           1HG      ILE  23  -1.692  -2.720   8.747
  210   3HG2  ILE  23           2HG      ILE  23  -1.392  -3.649  10.206
  211   1HD1  ILE  23           3HD      ILE  23  -1.516  -6.519   9.771
  212   2HD1  ILE  23           1HD      ILE  23  -2.672  -5.197   9.722
  213   3HD1  ILE  23           2HD      ILE  23  -2.939  -6.635   8.749
  214    QG1  ILE  23           QG1      ILE  23  -1.529  -5.452   7.368
  215    QG2  ILE  23           QG2      ILE  23  -1.086  -2.965   9.524
  216    QD1  ILE  23           QD1      ILE  23  -2.376  -6.117   9.414
  217    H    SER  24           HN       SER  24   2.516  -4.128   8.434
  218    HA   SER  24           HA       SER  24   3.006  -1.524   9.493
  219   1HB   SER  24           2HB      SER  24   5.027  -3.713   8.806
  220   2HB   SER  24           3HB      SER  24   5.225  -2.433  10.017
  221    HG   SER  24           HG       SER  24   3.574  -4.713  10.057
  222    QB   SER  24           QB       SER  24   5.126  -3.073   9.412
  223    H    GLU  25           HN       GLU  25   4.579  -3.125   6.666
  224    HA   GLU  25           HA       GLU  25   5.959  -0.807   5.799
  225   1HB   GLU  25           2HB      GLU  25   5.149  -3.375   4.546
  226   2HB   GLU  25           3HB      GLU  25   5.483  -2.087   3.418
  227   1HG   GLU  25           2HG      GLU  25   7.653  -2.819   3.642
  228   2HG   GLU  25           3HG      GLU  25   7.642  -1.817   5.080
  229    QB   GLU  25           QB       GLU  25   5.316  -2.730   3.982
  230    QG   GLU  25           QG       GLU  25   7.647  -2.318   4.362
  231    H    LEU  26           HN       LEU  26   2.699  -1.897   4.615
  232    HA   LEU  26           HA       LEU  26   2.452   0.273   2.823
  233   1HB   LEU  26           2HB      LEU  26   1.077  -1.745   2.643
  234   2HB   LEU  26           3HB      LEU  26   0.436  -1.507   4.258
  235    HG   LEU  26           HG       LEU  26  -0.658   0.492   3.604
  236   1HD1  LEU  26           1HD      LEU  26   0.594   0.058   0.865
  237   2HD1  LEU  26           2HD      LEU  26  -0.685   1.224   1.184
  238   3HD1  LEU  26           3HD      LEU  26   0.881   1.419   1.947
  239   1HD2  LEU  26           2HD      LEU  26  -1.114  -1.732   1.577
  240   2HD2  LEU  26           3HD      LEU  26  -1.845  -1.626   3.174
  241   3HD2  LEU  26           1HD      LEU  26  -2.274  -0.454   1.934
  242    QB   LEU  26           QB       LEU  26   0.756  -1.626   3.451
  243    QD1  LEU  26           QD1      LEU  26   0.264   0.901   1.332
  244    QD2  LEU  26           QD2      LEU  26  -1.744  -1.271   2.228
  245    QQD  LEU  26           QQD      LEU  26  -0.740  -0.185   1.780
  246    H    HIS  27           HN       HIS  27   1.544  -0.142   6.240
  247    HA   HIS  27           HA       HIS  27   0.181   2.313   6.681
  248   1HB   HIS  27           2HB      HIS  27   1.984   0.578   8.345
  249   2HB   HIS  27           3HB      HIS  27   1.620   2.159   8.959
  250    HD1  HIS  27           HD1      HIS  27  -0.476  -0.524   7.409
  251    HD2  HIS  27           HD2      HIS  27  -0.478   1.815  10.784
  252    HE1  HIS  27           HE1      HIS  27  -2.693  -0.911   8.568
  253    QB   HIS  27           QB       HIS  27   1.801   1.369   8.652
  254    H    GLU  28           HN       GLU  28   3.562   1.523   6.919
  255    HA   GLU  28           HA       GLU  28   4.790   3.996   7.355
  256   1HB   GLU  28           2HB      GLU  28   5.671   1.501   7.077
  257   2HB   GLU  28           3HB      GLU  28   5.968   2.002   5.426
  258   1HG   GLU  28           2HG      GLU  28   7.535   3.646   6.072
  259   2HG   GLU  28           3HG      GLU  28   6.990   3.632   7.745
  260    QB   GLU  28           QB       GLU  28   5.819   1.752   6.252
  261    QG   GLU  28           QG       GLU  28   7.263   3.639   6.908
  262    H    LEU  29           HN       LEU  29   3.316   2.746   4.489
  263    HA   LEU  29           HA       LEU  29   3.993   5.264   3.043
  264   1HB   LEU  29           2HB      LEU  29   5.167   3.138   2.189
  265   2HB   LEU  29           3HB      LEU  29   3.587   2.561   1.727
  266    HG   LEU  29           HG       LEU  29   3.236   4.468   0.229
  267   1HD1  LEU  29           2HD      LEU  29   5.998   5.378   1.131
  268   2HD1  LEU  29           3HD      LEU  29   5.078   6.087  -0.190
  269   3HD1  LEU  29           1HD      LEU  29   4.484   6.215   1.456
  270   1HD2  LEU  29           2HD      LEU  29   4.467   2.495  -0.649
  271   2HD2  LEU  29           3HD      LEU  29   5.002   3.986  -1.413
  272   3HD2  LEU  29           1HD      LEU  29   5.982   3.250  -0.163
  273    QB   LEU  29           QB       LEU  29   4.377   2.849   1.958
  274    QD1  LEU  29           QD1      LEU  29   5.187   5.893   0.799
  275    QD2  LEU  29           QD2      LEU  29   5.150   3.244  -0.742
  276    QQD  LEU  29           QQD      LEU  29   5.169   4.568   0.029
  277    H    ALA  30           HN       ALA  30   1.734   5.348   4.463
  278    HA   ALA  30           HA       ALA  30  -0.402   4.922   2.397
  279   1HB   ALA  30           3HB      ALA  30  -0.655   4.750   5.435
  280   2HB   ALA  30           1HB      ALA  30  -1.992   4.583   4.296
  281   3HB   ALA  30           2HB      ALA  30  -0.694   3.390   4.320
  282    QB   ALA  30           QB       ALA  30  -1.114   4.242   4.684
  283    H    SER  31           HN       SER  31  -1.454   6.498   5.221
  284    HA   SER  31           HA       SER  31  -1.722   9.008   3.723
  285   1HB   SER  31           2HB      SER  31  -2.766   9.578   6.139
  286   2HB   SER  31           3HB      SER  31  -3.647   8.632   4.929
  287    HG   SER  31           HG       SER  31  -3.608   7.340   6.735
  288    QB   SER  31           QB       SER  31  -3.207   9.106   5.535
  289    H    THR  32           HN       THR  32   0.677   8.852   3.785
  290    HA   THR  32           HA       THR  32   1.734  10.520   6.034
  291    HB   THR  32           HB       THR  32   2.865   8.493   6.468
  292    HG1  THR  32          1HG       THR  32   4.241  10.410   5.462
  293   1HG2  THR  32           1HG      THR  32   1.992   7.288   4.432
  294   2HG2  THR  32           2HG      THR  32   3.206   8.112   3.463
  295   3HG2  THR  32           3HG      THR  32   3.694   6.986   4.724
  296    QG2  THR  32           QG2      THR  32   2.964   7.462   4.206
  297    NH1  ARG  33           NH2      ARG  33   6.139   7.711   4.270
  298    NH2  ARG  33           NH1      ARG  33   7.969   7.002   3.091
  299    H    ARG  33           HN       ARG  33   2.039   9.660   2.637
  300    HA   ARG  33           HA       ARG  33   3.261  12.339   2.134
  301   1HB   ARG  33           2HB      ARG  33   3.776   9.742   0.611
  302   2HB   ARG  33           3HB      ARG  33   4.555  11.297   0.308
  303   1HG   ARG  33           2HG      ARG  33   5.645  11.276   2.464
  304   2HG   ARG  33           3HG      ARG  33   4.682   9.919   3.018
  305   1HD   ARG  33           2HD      ARG  33   5.790   8.463   1.298
  306   2HD   ARG  33           3HD      ARG  33   6.812   9.833   0.854
  307    HE   ARG  33           HE       ARG  33   7.827   9.737   3.103
  308   1HH1  ARG  33           2HH      ARG  33   5.486   8.454   4.484
  309   2HH1  ARG  33           1HH      ARG  33   6.042   6.820   4.733
  310   1HH2  ARG  33           2HH      ARG  33   8.685   7.198   2.415
  311   2HH2  ARG  33           1HH      ARG  33   7.930   6.097   3.524
  312    QB   ARG  33           QB       ARG  33   4.166  10.519   0.460
  313    QG   ARG  33           QG       ARG  33   5.164  10.598   2.741
  314    QD   ARG  33           QD       ARG  33   6.301   9.148   1.076
  315    QH1  ARG  33           QH2      ARG  33   5.763   7.637   4.609
  316    QH2  ARG  33           QH1      ARG  33   8.308   6.647   2.969
  317    H    GLN  34           HN       GLN  34   2.940  12.560  -0.547
  318    HA   GLN  34           HA       GLN  34   0.035  12.830  -0.773
  319   1HB   GLN  34           2HB      GLN  34   2.078  13.330  -2.962
  320   2HB   GLN  34           3HB      GLN  34   0.458  13.996  -2.835
  321   1HG   GLN  34           2HG      GLN  34   1.643  15.800  -2.003
  322   2HG   GLN  34           3HG      GLN  34   1.422  14.917  -0.497
  323   1HE2  GLN  34           2HE      GLN  34   5.126  15.189  -2.152
  324   2HE2  GLN  34           1HE      GLN  34   3.767  15.772  -2.981
  325    QB   GLN  34           QB       GLN  34   1.269  13.663  -2.898
  326    QG   GLN  34           QG       GLN  34   1.532  15.358  -1.250
  327    QE2  GLN  34           QE2      GLN  34   4.446  15.480  -2.566
  328    H    ILE  35           HN       ILE  35   0.202  10.278  -0.501
  329    HA   ILE  35           HA       ILE  35  -0.002   9.106  -3.251
  330    HB   ILE  35           HB       ILE  35   1.869   8.158  -1.963
  331   1HG1  ILE  35           2HG      ILE  35   0.338   6.720  -3.459
  332   2HG1  ILE  35           3HG      ILE  35   1.474   5.908  -2.399
  333   1HG2  ILE  35           1HG      ILE  35   1.073   8.589   0.309
  334   2HG2  ILE  35           2HG      ILE  35  -0.183   7.381   0.133
  335   3HG2  ILE  35           3HG      ILE  35   1.503   6.897   0.120
  336   1HD1  ILE  35           3HD      ILE  35  -1.471   6.323  -1.801
  337   2HD1  ILE  35           1HD      ILE  35  -0.736   4.817  -2.316
  338   3HD1  ILE  35           2HD      ILE  35  -0.323   5.504  -0.755
  339    QG1  ILE  35           QG1      ILE  35   0.906   6.314  -2.929
  340    QG2  ILE  35           QG2      ILE  35   0.798   7.623   0.187
  341    QD1  ILE  35           QD1      ILE  35  -0.843   5.548  -1.623
  342    H    ASP  36           HN       ASP  36  -2.123   9.291  -3.673
  343    HA   ASP  36           HA       ASP  36  -4.235   9.427  -1.838
  344   1HB   ASP  36           2HB      ASP  36  -4.475   8.207  -4.600
  345   2HB   ASP  36           3HB      ASP  36  -5.741   9.015  -3.684
  346    QB   ASP  36           QB       ASP  36  -5.108   8.611  -4.142
  347    H    PHE  37           HN       PHE  37  -5.896   8.072  -1.335
  348    HA   PHE  37           HA       PHE  37  -5.219   5.167  -1.212
  349   1HB   PHE  37           2HB      PHE  37  -5.399   6.983   0.917
  350   2HB   PHE  37           3HB      PHE  37  -6.976   6.207   0.911
  351    HD1  PHE  37          1HD       PHE  37  -3.331   5.590   1.147
  352    HD2  PHE  37          2HD       PHE  37  -7.223   3.887   1.525
  353    HE1  PHE  37          1HE       PHE  37  -2.355   3.596   2.204
  354    HE2  PHE  37          2HE       PHE  37  -6.244   1.898   2.570
  355    HZ   PHE  37           HZ       PHE  37  -3.813   1.764   2.940
  356    QB   PHE  37           QB       PHE  37  -6.188   6.595   0.915
  357    QR   PHE  37           QR       PHE  37  -4.789   3.742   1.862
  358    CH2  TRP  38           CH2      TRP  38 -11.318   4.229  -8.448
  359    H    TRP  38           HN       TRP  38  -6.961   3.793  -1.676
  360    HA   TRP  38           HA       TRP  38  -9.497   5.165  -2.510
  361   1HB   TRP  38           2HB      TRP  38  -7.722   3.328  -3.907
  362   2HB   TRP  38           3HB      TRP  38  -9.341   2.690  -3.838
  363    HD1  TRP  38           HD1      TRP  38  -8.251   6.400  -4.380
  364    HE1  TRP  38           HE1      TRP  38  -9.250   7.238  -6.502
  365    HE3  TRP  38           HE3      TRP  38 -10.425   2.154  -5.910
  366    HZ2  TRP  38           HZ2      TRP  38 -10.795   6.295  -8.612
  367    HZ3  TRP  38           HZ3      TRP  38 -11.703   2.171  -8.034
  368    HH2  TRP  38           HH2      TRP  38 -11.873   4.220  -9.376
  369    QB   TRP  38           QB       TRP  38  -8.531   3.009  -3.873
  370    H    LYS  39           HN       LYS  39  -8.353   1.871  -1.686
  371    HA   LYS  39           HA       LYS  39 -10.665   1.702   0.219
  372   1HB   LYS  39           2HB      LYS  39  -9.820  -0.741  -1.343
  373   2HB   LYS  39           3HB      LYS  39 -11.349  -0.423  -0.562
  374   1HG   LYS  39           2HG      LYS  39 -11.683   1.424  -2.349
  375   2HG   LYS  39           3HG      LYS  39 -10.351   0.650  -3.200
  376   1HD   LYS  39           2HD      LYS  39 -11.729  -1.565  -2.781
  377   2HD   LYS  39           3HD      LYS  39 -13.081  -0.466  -2.556
  378   1HE   LYS  39           2HE      LYS  39 -13.161  -1.003  -4.863
  379   2HE   LYS  39           3HE      LYS  39 -12.383   0.575  -4.823
  380   1HZ   LYS  39           2HZ      LYS  39 -10.394  -1.395  -4.571
  381   2HZ   LYS  39           3HZ      LYS  39 -11.371  -1.819  -5.888
  382   3HZ   LYS  39           1HZ      LYS  39 -10.626  -0.304  -5.839
  383    QB   LYS  39           QB       LYS  39 -10.584  -0.582  -0.952
  384    QG   LYS  39           QG       LYS  39 -11.018   1.037  -2.774
  385    QD   LYS  39           QD       LYS  39 -12.405  -1.016  -2.668
  386    QE   LYS  39           QE       LYS  39 -12.772  -0.213  -4.843
  387    QZ   LYS  39           QZ       LYS  39 -10.797  -1.173  -5.433
  388    HA   PRO  40           HA       PRO  40 -11.403   0.034   1.348
  389   1HB   PRO  40           2HB      PRO  40 -11.556  -0.935   3.887
  390   2HB   PRO  40           3HB      PRO  40 -11.184  -1.962   2.501
  391   1HG   PRO  40           2HG      PRO  40  -9.360  -0.925   4.632
  392   2HG   PRO  40           3HG      PRO  40  -9.253  -2.410   3.693
  393   1HD   PRO  40           2HD      PRO  40  -7.796   0.010   3.202
  394   2HD   PRO  40           3HD      PRO  40  -7.882  -1.399   2.122
  395    QB   PRO  40           QB       PRO  40 -11.370  -1.449   3.194
  396    QG   PRO  40           QG       PRO  40  -9.307  -1.667   4.162
  397    QD   PRO  40           QD       PRO  40  -7.838  -0.694   2.662
  398    H    ASP  41           HN       ASP  41  -9.785   0.907   4.430
  399    HA   ASP  41           HA       ASP  41 -11.539   3.287   4.535
  400   1HB   ASP  41           2HB      ASP  41 -10.435   1.877   6.986
  401   2HB   ASP  41           3HB      ASP  41 -11.929   2.798   6.817
  402    QB   ASP  41           QB       ASP  41 -11.182   2.338   6.901
  403    H    SER  42           HN       SER  42  -9.775   3.415   7.079
  404    HA   SER  42           HA       SER  42  -7.699   5.169   5.837
  405   1HB   SER  42           2HB      SER  42  -8.794   5.144   8.690
  406   2HB   SER  42           3HB      SER  42  -7.551   6.255   8.088
  407    HG   SER  42           HG       SER  42  -9.201   7.386   7.401
  408    QB   SER  42           QB       SER  42  -8.173   5.700   8.388
  409    H    VAL  43           HN       VAL  43  -7.147   2.643   5.603
  410    HA   VAL  43           HA       VAL  43  -5.818   0.799   6.273
  411    HB   VAL  43           HB       VAL  43  -4.540   2.532   4.995
  412   1HG1  VAL  43           1HG      VAL  43  -3.522   3.328   7.735
  413   2HG1  VAL  43           2HG      VAL  43  -2.846   3.887   6.212
  414   3HG1  VAL  43           3HG      VAL  43  -4.488   4.327   6.653
  415   1HG2  VAL  43           3HG      VAL  43  -3.517   0.326   5.463
  416   2HG2  VAL  43           1HG      VAL  43  -2.302   1.596   5.429
  417   3HG2  VAL  43           2HG      VAL  43  -2.858   0.955   6.965
  418    QG1  VAL  43           QG1      VAL  43  -3.619   3.848   6.867
  419    QG2  VAL  43           QG2      VAL  43  -2.892   0.959   5.953
  420    QQG  VAL  43           QQG      VAL  43  -3.255   2.403   6.410
  421    H    THR  44           HN       THR  44  -7.241   1.755   8.601
  422    HA   THR  44           HA       THR  44  -5.205   1.189  10.723
  423    HB   THR  44           HB       THR  44  -7.270   2.346  12.116
  424    HG1  THR  44          1HG       THR  44  -7.141   3.897   9.794
  425   1HG2  THR  44           3HG      THR  44  -5.183   3.864  10.460
  426   2HG2  THR  44           1HG      THR  44  -6.001   4.477  11.898
  427   3HG2  THR  44           2HG      THR  44  -4.861   3.142  12.033
  428    QG2  THR  44           QG2      THR  44  -5.349   3.827  11.464
  429    H    GLN  45           HN       GLN  45  -8.027  -0.026   9.263
  430    HA   GLN  45           HA       GLN  45  -8.310  -2.014  11.494
  431   1HB   GLN  45           2HB      GLN  45 -10.388  -0.574   9.866
  432   2HB   GLN  45           3HB      GLN  45 -10.745  -2.206  10.419
  433   1HG   GLN  45           2HG      GLN  45  -9.636  -0.164  12.357
  434   2HG   GLN  45           3HG      GLN  45 -11.354  -0.176  11.974
  435   1HE2  GLN  45           2HE      GLN  45 -11.659  -2.524  14.606
  436   2HE2  GLN  45           1HE      GLN  45 -11.991  -0.944  14.079
  437    QB   GLN  45           QB       GLN  45 -10.566  -1.390  10.142
  438    QG   GLN  45           QG       GLN  45 -10.495  -0.170  12.166
  439    QE2  GLN  45           QE2      GLN  45 -11.825  -1.734  14.342
  440    H    ILE  46           HN       ILE  46  -7.057  -1.740   8.576
  441    HA   ILE  46           HA       ILE  46  -8.145  -3.857   7.027
  442    HB   ILE  46           HB       ILE  46  -5.698  -2.274   7.049
  443   1HG1  ILE  46           2HG      ILE  46  -7.558  -1.930   5.529
  444   2HG1  ILE  46           3HG      ILE  46  -5.996  -2.094   4.727
  445   1HG2  ILE  46           3HG      ILE  46  -5.448  -5.056   5.958
  446   2HG2  ILE  46           1HG      ILE  46  -4.313  -3.749   5.630
  447   3HG2  ILE  46           2HG      ILE  46  -4.502  -4.364   7.266
  448   1HD1  ILE  46           2HD      ILE  46  -6.459  -4.486   4.357
  449   2HD1  ILE  46           3HD      ILE  46  -8.036  -4.292   5.115
  450   3HD1  ILE  46           1HD      ILE  46  -7.667  -3.468   3.603
  451    QG1  ILE  46           QG1      ILE  46  -6.777  -2.012   5.127
  452    QG2  ILE  46           QG2      ILE  46  -4.754  -4.390   6.284
  453    QD1  ILE  46           QD1      ILE  46  -7.387  -4.082   4.358
  454    H    LYS  47           HN       LYS  47  -7.590  -6.076   6.904
  455    HA   LYS  47           HA       LYS  47  -6.142  -7.115   9.312
  456   1HB   LYS  47           2HB      LYS  47  -8.433  -8.419   7.786
  457   2HB   LYS  47           3HB      LYS  47  -7.612  -9.114   9.168
  458   1HG   LYS  47           2HG      LYS  47  -9.196  -6.513   9.191
  459   2HG   LYS  47           3HG      LYS  47  -9.752  -8.050   9.839
  460   1HD   LYS  47           2HD      LYS  47  -7.674  -8.019  11.350
  461   2HD   LYS  47           3HD      LYS  47  -7.444  -6.348  10.850
  462   1HE   LYS  47           2HE      LYS  47  -9.949  -7.450  12.177
  463   2HE   LYS  47           3HE      LYS  47  -8.699  -6.520  12.993
  464   1HZ   LYS  47           3HZ      LYS  47  -9.516  -5.076  10.728
  465   2HZ   LYS  47           1HZ      LYS  47 -10.910  -5.560  11.571
  466   3HZ   LYS  47           2HZ      LYS  47  -9.716  -4.654  12.366
  467    QB   LYS  47           QB       LYS  47  -8.023  -8.767   8.477
  468    QG   LYS  47           QG       LYS  47  -9.474  -7.282   9.516
  469    QD   LYS  47           QD       LYS  47  -7.559  -7.183  11.100
  470    QE   LYS  47           QE       LYS  47  -9.323  -6.985  12.586
  471    QZ   LYS  47           QZ       LYS  47 -10.048  -5.097  11.555
  472    HA   PRO  48           HA       PRO  48  -3.790  -9.764   6.455
  473   1HB   PRO  48           2HB      PRO  48  -4.622 -11.953   8.322
  474   2HB   PRO  48           3HB      PRO  48  -3.020 -11.563   7.699
  475   1HG   PRO  48           2HG      PRO  48  -3.712 -10.939  10.249
  476   2HG   PRO  48           3HG      PRO  48  -2.651  -9.885   9.305
  477   1HD   PRO  48           2HD      PRO  48  -5.550  -9.510   9.988
  478   2HD   PRO  48           3HD      PRO  48  -4.281  -8.287   9.745
  479    QB   PRO  48           QB       PRO  48  -3.821 -11.759   8.010
  480    QG   PRO  48           QG       PRO  48  -3.181 -10.413   9.777
  481    QD   PRO  48           QD       PRO  48  -4.915  -8.899   9.866
  482    H    HIS  49           HN       HIS  49  -4.298 -11.463   4.974
  483    HA   HIS  49           HA       HIS  49  -5.687 -12.719   3.537
  484   1HB   HIS  49           2HB      HIS  49  -7.980 -12.345   5.458
  485   2HB   HIS  49           3HB      HIS  49  -7.705 -13.654   4.347
  486    HD1  HIS  49           HD1      HIS  49  -5.225 -14.835   4.992
  487    HD2  HIS  49           HD2      HIS  49  -7.414 -13.196   8.063
  488    HE1  HIS  49           HE1      HIS  49  -4.351 -15.861   7.118
  489    QB   HIS  49           QB       HIS  49  -7.842 -13.000   4.903
  490    H    SER  50           HN       SER  50  -5.323  -9.983   3.305
  491    HA   SER  50           HA       SER  50  -7.719  -9.201   1.759
  492   1HB   SER  50           2HB      SER  50  -8.156  -8.262   4.003
  493   2HB   SER  50           3HB      SER  50  -6.551  -7.508   4.004
  494    HG   SER  50           HG       SER  50  -8.542  -6.308   3.169
  495    QB   SER  50           QB       SER  50  -7.353  -7.884   4.003
  496    H    THR  51           HN       THR  51  -7.209  -6.913   0.755
  497    HA   THR  51           HA       THR  51  -4.366  -6.487   0.171
  498    HB   THR  51           HB       THR  51  -4.774  -6.326  -2.255
  499    HG1  THR  51          1HG       THR  51  -7.289  -6.153  -1.339
  500   1HG2  THR  51           2HG      THR  51  -4.410  -8.699  -1.459
  501   2HG2  THR  51           3HG      THR  51  -6.156  -8.858  -1.308
  502   3HG2  THR  51           1HG      THR  51  -5.429  -8.601  -2.889
  503    QG2  THR  51           QG2      THR  51  -5.332  -8.719  -1.886
  504    H    VAL  52           HN       VAL  52  -4.017  -4.179  -0.359
  505    HA   VAL  52           HA       VAL  52  -6.464  -2.539   0.276
  506    HB   VAL  52           HB       VAL  52  -3.532  -1.807   0.561
  507   1HG1  VAL  52           3HG      VAL  52  -6.053  -0.428   1.540
  508   2HG1  VAL  52           1HG      VAL  52  -4.417   0.056   1.949
  509   3HG1  VAL  52           2HG      VAL  52  -4.981   0.181   0.289
  510   1HG2  VAL  52           3HG      VAL  52  -5.575  -2.691   2.631
  511   2HG2  VAL  52           1HG      VAL  52  -4.170  -3.615   2.109
  512   3HG2  VAL  52           2HG      VAL  52  -3.955  -2.117   3.009
  513    QG1  VAL  52           QG1      VAL  52  -5.151  -0.064   1.259
  514    QG2  VAL  52           QG2      VAL  52  -4.566  -2.808   2.582
  515    QQG  VAL  52           QQG      VAL  52  -4.859  -1.436   1.921
  516    H    ASP  53           HN       ASP  53  -6.982  -0.713  -0.993
  517    HA   ASP  53           HA       ASP  53  -5.776  -0.724  -3.745
  518   1HB   ASP  53           2HB      ASP  53  -8.425   0.269  -2.662
  519   2HB   ASP  53           3HB      ASP  53  -7.876   0.673  -4.273
  520    QB   ASP  53           QB       ASP  53  -8.151   0.471  -3.467
  521    H    PHE  54           HN       PHE  54  -4.107   0.713  -3.687
  522    HA   PHE  54           HA       PHE  54  -4.691   3.482  -2.731
  523   1HB   PHE  54           2HB      PHE  54  -2.636   3.658  -1.515
  524   2HB   PHE  54           3HB      PHE  54  -3.371   2.150  -1.006
  525    HD1  PHE  54          2HD       PHE  54  -2.516   0.594  -3.678
  526    HD2  PHE  54          1HD       PHE  54  -0.399   2.991  -0.858
  527    HE1  PHE  54          2HE       PHE  54  -0.447  -0.515  -4.292
  528    HE2  PHE  54          1HE       PHE  54   1.679   1.869  -1.483
  529    HZ   PHE  54           HZ       PHE  54   1.672   0.121  -3.219
  530    QB   PHE  54           QB       PHE  54  -3.004   2.904  -1.261
  531    QR   PHE  54           QR       PHE  54  -0.420   1.235  -2.578
  532    NH1  ARG  55           NH1      ARG  55   0.440   5.353  -8.573
  533    NH2  ARG  55           NH2      ARG  55   2.430   4.678  -7.693
  534    H    ARG  55           HN       ARG  55  -2.786   4.959  -3.295
  535    HA   ARG  55           HA       ARG  55  -1.855   6.282  -4.951
  536   1HB   ARG  55           2HB      ARG  55   0.108   5.221  -6.031
  537   2HB   ARG  55           3HB      ARG  55   0.023   4.930  -4.312
  538   1HG   ARG  55           2HG      ARG  55  -0.450   2.693  -4.532
  539   2HG   ARG  55           3HG      ARG  55  -1.265   2.916  -6.079
  540   1HD   ARG  55           2HD      ARG  55   1.699   3.343  -5.769
  541   2HD   ARG  55           3HD      ARG  55   0.988   1.792  -6.227
  542    HE   ARG  55           HE       ARG  55   0.101   2.841  -8.239
  543   1HH1  ARG  55           2HH      ARG  55  -0.521   5.150  -8.767
  544   2HH1  ARG  55           1HH      ARG  55   0.807   6.272  -8.790
  545   1HH2  ARG  55           2HH      ARG  55   2.972   3.957  -7.253
  546   2HH2  ARG  55           1HH      ARG  55   2.857   5.557  -7.875
  547    QB   ARG  55           QB       ARG  55   0.066   5.075  -5.171
  548    QG   ARG  55           QG       ARG  55  -0.858   2.805  -5.306
  549    QD   ARG  55           QD       ARG  55   1.343   2.568  -5.999
  550    QH1  ARG  55           QH1      ARG  55   0.143   5.710  -8.779
  551    QH2  ARG  55           QH2      ARG  55   2.915   4.758  -7.565
  552    H    VAL  56           HN       VAL  56  -1.362   6.665  -7.443
  553    HA   VAL  56           HA       VAL  56  -2.545   5.041  -9.330
  554    HB   VAL  56           HB       VAL  56  -4.514   5.199  -8.279
  555   1HG1  VAL  56           1HG      VAL  56  -3.993   8.214  -8.026
  556   2HG1  VAL  56           2HG      VAL  56  -5.479   7.448  -7.478
  557   3HG1  VAL  56           3HG      VAL  56  -3.950   7.048  -6.710
  558   1HG2  VAL  56           3HG      VAL  56  -4.892   5.704 -10.655
  559   2HG2  VAL  56           1HG      VAL  56  -6.077   6.555  -9.675
  560   3HG2  VAL  56           2HG      VAL  56  -4.699   7.429 -10.333
  561    QG1  VAL  56           QG1      VAL  56  -4.474   7.570  -7.404
  562    QG2  VAL  56           QG2      VAL  56  -5.222   6.563 -10.222
  563    QQG  VAL  56           QQG      VAL  56  -4.848   7.066  -8.813
  564    H    LYS  57           HN       LYS  57  -1.630   8.126  -8.753
  565    HA   LYS  57           HA       LYS  57  -2.038   8.951 -11.590
  566   1HB   LYS  57           2HB      LYS  57  -1.031  10.551  -9.213
  567   2HB   LYS  57           3HB      LYS  57  -1.272  11.196 -10.828
  568   1HG   LYS  57           2HG      LYS  57  -3.509  11.377 -10.575
  569   2HG   LYS  57           3HG      LYS  57  -3.641   9.782  -9.866
  570   1HD   LYS  57           2HD      LYS  57  -4.317  11.589  -8.272
  571   2HD   LYS  57           3HD      LYS  57  -2.987  10.619  -7.672
  572   1HE   LYS  57           2HE      LYS  57  -2.677  13.084  -7.316
  573   2HE   LYS  57           3HE      LYS  57  -1.377  12.347  -8.232
  574   1HZ   LYS  57           1HZ      LYS  57  -3.347  13.194 -10.045
  575   2HZ   LYS  57           2HZ      LYS  57  -3.024  14.484  -8.982
  576   3HZ   LYS  57           3HZ      LYS  57  -1.753  13.769  -9.851
  577    QB   LYS  57           QB       LYS  57  -1.151  10.873 -10.021
  578    QG   LYS  57           QG       LYS  57  -3.575  10.579 -10.221
  579    QD   LYS  57           QD       LYS  57  -3.652  11.105  -7.972
  580    QE   LYS  57           QE       LYS  57  -2.027  12.715  -7.774
  581    QZ   LYS  57           QZ       LYS  57  -2.708  13.816  -9.626
  582    H    ALA  58           HN       ALA  58   0.131  10.761 -11.835
  583    HA   ALA  58           HA       ALA  58   2.311   8.803 -12.327
  584   1HB   ALA  58           2HB      ALA  58   2.016  11.697 -13.247
  585   2HB   ALA  58           3HB      ALA  58   3.317  10.608 -13.716
  586   3HB   ALA  58           1HB      ALA  58   1.666  10.267 -14.216
  587    QB   ALA  58           QB       ALA  58   2.333  10.857 -13.727
  588    H    GLU  59           HN       GLU  59   1.734  11.928 -10.812
  589    HA   GLU  59           HA       GLU  59   4.296  12.487  -9.811
  590   1HB   GLU  59           2HB      GLU  59   2.993  13.737  -7.985
  591   2HB   GLU  59           3HB      GLU  59   2.662  14.191  -9.649
  592   1HG   GLU  59           2HG      GLU  59   0.937  11.983  -8.720
  593   2HG   GLU  59           3HG      GLU  59   0.747  13.453  -7.764
  594    QB   GLU  59           QB       GLU  59   2.827  13.964  -8.816
  595    QG   GLU  59           QG       GLU  59   0.842  12.718  -8.241
  596    H    ASP  60           HN       ASP  60   2.601   9.745  -9.003
  597    HA   ASP  60           HA       ASP  60   4.074   9.537  -6.413
  598   1HB   ASP  60           2HB      ASP  60   2.126   8.126  -5.608
  599   2HB   ASP  60           3HB      ASP  60   1.722   9.814  -5.880
  600    QB   ASP  60           QB       ASP  60   1.924   8.970  -5.744
  601    H    ILE  61           HN       ILE  61   4.787   8.518  -9.172
  602    HA   ILE  61           HA       ILE  61   4.686   5.594  -8.561
  603    HB   ILE  61           HB       ILE  61   5.489   6.871 -11.194
  604   1HG1  ILE  61           2HG      ILE  61   2.796   5.705 -10.387
  605   2HG1  ILE  61           3HG      ILE  61   3.129   7.423 -10.522
  606   1HG2  ILE  61           1HG      ILE  61   4.675   4.032 -10.410
  607   2HG2  ILE  61           2HG      ILE  61   4.927   4.573 -12.064
  608   3HG2  ILE  61           3HG      ILE  61   6.272   4.544 -10.957
  609   1HD1  ILE  61           2HD      ILE  61   3.727   7.108 -12.920
  610   2HD1  ILE  61           3HD      ILE  61   3.324   5.398 -12.784
  611   3HD1  ILE  61           1HD      ILE  61   2.075   6.607 -12.579
  612    QG1  ILE  61           QG1      ILE  61   2.963   6.564 -10.454
  613    QG2  ILE  61           QG2      ILE  61   5.291   4.383 -11.144
  614    QD1  ILE  61           QD1      ILE  61   3.042   6.371 -12.761
  615    H    LEU  62           HN       LEU  62   6.618   4.391  -9.247
  616    HA   LEU  62           HA       LEU  62   8.848   3.876  -9.351
  617   1HB   LEU  62           2HB      LEU  62   9.339   6.806  -8.846
  618   2HB   LEU  62           3HB      LEU  62  10.524   5.606  -9.331
  619    HG   LEU  62           HG       LEU  62   8.115   6.416 -10.999
  620   1HD1  LEU  62           3HD      LEU  62   9.784   8.240 -10.813
  621   2HD1  LEU  62           1HD      LEU  62  11.060   7.132 -11.303
  622   3HD1  LEU  62           2HD      LEU  62   9.780   7.560 -12.434
  623   1HD2  LEU  62           1HD      LEU  62  10.535   4.680 -11.633
  624   2HD2  LEU  62           2HD      LEU  62   8.886   4.102 -11.418
  625   3HD2  LEU  62           3HD      LEU  62   9.282   5.137 -12.783
  626    QB   LEU  62           QB       LEU  62   9.931   6.206  -9.088
  627    QD1  LEU  62           QD1      LEU  62  10.208   7.644 -11.517
  628    QD2  LEU  62           QD2      LEU  62   9.568   4.640 -11.944
  629    QQD  LEU  62           QQD      LEU  62   9.888   6.142 -11.731
  630    H    ALA  63           HN       ALA  63   8.256   6.439  -6.962
  631    HA   ALA  63           HA       ALA  63   9.884   5.069  -4.975
  632   1HB   ALA  63           2HB      ALA  63   9.542   7.521  -4.932
  633   2HB   ALA  63           3HB      ALA  63   7.826   7.280  -4.623
  634   3HB   ALA  63           1HB      ALA  63   9.015   6.788  -3.420
  635    QB   ALA  63           QB       ALA  63   8.794   7.197  -4.325
  636    H    VAL  64           HN       VAL  64   6.423   5.220  -5.641
  637    HA   VAL  64           HA       VAL  64   5.766   3.649  -3.228
  638    HB   VAL  64           HB       VAL  64   3.981   4.329  -5.608
  639   1HG1  VAL  64           2HG      VAL  64   3.346   3.738  -2.697
  640   2HG1  VAL  64           3HG      VAL  64   2.162   4.204  -3.909
  641   3HG1  VAL  64           1HG      VAL  64   3.029   2.675  -4.062
  642   1HG2  VAL  64           2HG      VAL  64   5.009   6.409  -4.726
  643   2HG2  VAL  64           3HG      VAL  64   3.288   6.355  -4.371
  644   3HG2  VAL  64           1HG      VAL  64   4.460   5.995  -3.108
  645    QG1  VAL  64           QG1      VAL  64   2.846   3.539  -3.556
  646    QG2  VAL  64           QG2      VAL  64   4.252   6.253  -4.068
  647    QQG  VAL  64           QQG      VAL  64   3.549   4.896  -3.813
  648    H    GLU  65           HN       GLU  65   6.703   2.950  -6.403
  649    HA   GLU  65           HA       GLU  65   5.637   0.201  -6.195
  650   1HB   GLU  65           2HB      GLU  65   7.276   1.654  -8.308
  651   2HB   GLU  65           3HB      GLU  65   6.849  -0.049  -8.427
  652   1HG   GLU  65           2HG      GLU  65   5.295   1.540  -9.652
  653   2HG   GLU  65           3HG      GLU  65   4.513   0.442  -8.525
  654    QB   GLU  65           QB       GLU  65   7.062   0.802  -8.367
  655    QG   GLU  65           QG       GLU  65   4.904   0.991  -9.088
  656    H    ASP  66           HN       ASP  66   8.701   1.974  -6.371
  657    HA   ASP  66           HA       ASP  66  10.604   0.017  -5.809
  658   1HB   ASP  66           2HB      ASP  66  11.372   2.303  -6.096
  659   2HB   ASP  66           3HB      ASP  66  10.375   2.871  -4.767
  660    QB   ASP  66           QB       ASP  66  10.874   2.587  -5.433
  661    H    PHE  67           HN       PHE  67   8.856   1.989  -3.471
  662    HA   PHE  67           HA       PHE  67   9.560   0.986  -1.043
  663   1HB   PHE  67           2HB      PHE  67   7.731   2.654  -1.358
  664   2HB   PHE  67           3HB      PHE  67   6.662   1.344  -1.861
  665    HD1  PHE  67          2HD       PHE  67   9.003   2.241   0.937
  666    HD2  PHE  67          1HD       PHE  67   5.412   0.232  -0.188
  667    HE1  PHE  67          2HE       PHE  67   8.638   1.584   3.274
  668    HE2  PHE  67          1HE       PHE  67   5.050  -0.413   2.153
  669    HZ   PHE  67           HZ       PHE  67   6.646   0.274   3.885
  670    QB   PHE  67           QB       PHE  67   7.196   1.999  -1.610
  671    QR   PHE  67           QR       PHE  67   7.026   0.911   1.544
  672    H    LEU  68           HN       LEU  68   7.068  -0.489  -3.078
  673    HA   LEU  68           HA       LEU  68   6.724  -2.827  -1.456
  674   1HB   LEU  68           2HB      LEU  68   6.427  -2.521  -4.462
  675   2HB   LEU  68           3HB      LEU  68   5.874  -3.925  -3.558
  676    HG   LEU  68           HG       LEU  68   4.970  -1.084  -2.945
  677   1HD1  LEU  68           3HD      LEU  68   3.619  -3.237  -4.596
  678   2HD1  LEU  68           1HD      LEU  68   2.885  -1.705  -4.144
  679   3HD1  LEU  68           2HD      LEU  68   4.276  -1.733  -5.218
  680   1HD2  LEU  68           1HD      LEU  68   3.844  -3.809  -2.144
  681   2HD2  LEU  68           2HD      LEU  68   4.712  -2.721  -1.072
  682   3HD2  LEU  68           3HD      LEU  68   3.150  -2.252  -1.715
  683    QB   LEU  68           QB       LEU  68   6.150  -3.223  -4.010
  684    QD1  LEU  68           QD1      LEU  68   3.593  -2.225  -4.652
  685    QD2  LEU  68           QD2      LEU  68   3.902  -2.928  -1.644
  686    QQD  LEU  68           QQD      LEU  68   3.748  -2.576  -3.148
  687    H    GLU  69           HN       GLU  69   9.098  -2.222  -4.000
  688    HA   GLU  69           HA       GLU  69  10.100  -4.940  -4.021
  689   1HB   GLU  69           2HB      GLU  69  10.793  -2.345  -5.274
  690   2HB   GLU  69           3HB      GLU  69  12.174  -3.386  -4.988
  691   1HG   GLU  69           2HG      GLU  69  11.227  -3.795  -7.232
  692   2HG   GLU  69           3HG      GLU  69  11.062  -5.219  -6.222
  693    QB   GLU  69           QB       GLU  69  11.483  -2.865  -5.132
  694    QG   GLU  69           QG       GLU  69  11.145  -4.507  -6.728
  695    H    GLN  70           HN       GLN  70  11.513  -1.930  -2.697
  696    HA   GLN  70           HA       GLN  70  13.817  -2.927  -1.521
  697   1HB   GLN  70           2HB      GLN  70  13.499  -1.208   0.322
  698   2HB   GLN  70           3HB      GLN  70  13.383  -0.578  -1.318
  699   1HG   GLN  70           2HG      GLN  70  10.966  -0.589  -1.216
  700   2HG   GLN  70           3HG      GLN  70  10.973  -1.423   0.326
  701   1HE2  GLN  70           2HE      GLN  70  11.596   2.584   0.202
  702   2HE2  GLN  70           1HE      GLN  70  11.578   1.682  -1.240
  703    QB   GLN  70           QB       GLN  70  13.441  -0.893  -0.499
  704    QG   GLN  70           QG       GLN  70  10.970  -1.006  -0.445
  705    QE2  GLN  70           QE2      GLN  70  11.587   2.132  -0.519
  706    H    ASN  71           HN       ASN  71  10.582  -3.359  -0.202
  707    HA   ASN  71           HA       ASN  71  11.762  -5.005   1.996
  708   1HB   ASN  71           2HB      ASN  71   9.431  -4.559   3.046
  709   2HB   ASN  71           3HB      ASN  71  10.582  -3.233   3.029
  710   1HD2  ASN  71           2HD      ASN  71   8.270  -1.233   1.320
  711   2HD2  ASN  71           1HD      ASN  71   9.365  -1.370   2.602
  712    QB   ASN  71           QB       ASN  71  10.006  -3.896   3.038
  713    QD2  ASN  71           QD2      ASN  71   8.817  -1.302   1.960
  714    H    GLU  72           HN       GLU  72  11.496  -6.102  -0.509
  715    HA   GLU  72           HA       GLU  72   9.953  -7.423  -1.883
  716   1HB   GLU  72           2HB      GLU  72  10.327  -9.775  -0.889
  717   2HB   GLU  72           3HB      GLU  72  11.748  -8.836  -1.305
  718   1HG   GLU  72           2HG      GLU  72  10.618  -8.738   1.496
  719   2HG   GLU  72           3HG      GLU  72  11.671 -10.053   1.011
  720    QB   GLU  72           QB       GLU  72  11.037  -9.305  -1.098
  721    QG   GLU  72           QG       GLU  72  11.144  -9.395   1.254
  722    H    LEU  73           HN       LEU  73   8.087  -6.125  -1.083
  723    HA   LEU  73           HA       LEU  73   6.281  -7.590   0.740
  724   1HB   LEU  73           2HB      LEU  73   6.688  -4.872   0.086
  725   2HB   LEU  73           3HB      LEU  73   5.137  -5.265  -0.627
  726    HG   LEU  73           HG       LEU  73   4.580  -6.337   1.670
  727   1HD1  LEU  73           3HD      LEU  73   6.923  -4.560   2.447
  728   2HD1  LEU  73           1HD      LEU  73   5.839  -5.357   3.578
  729   3HD1  LEU  73           2HD      LEU  73   6.899  -6.314   2.549
  730   1HD2  LEU  73           1HD      LEU  73   4.943  -3.328   1.414
  731   2HD2  LEU  73           2HD      LEU  73   3.550  -4.251   0.859
  732   3HD2  LEU  73           3HD      LEU  73   3.892  -4.123   2.580
  733    QB   LEU  73           QB       LEU  73   5.913  -5.068  -0.270
  734    QD1  LEU  73           QD1      LEU  73   6.554  -5.410   2.858
  735    QD2  LEU  73           QD2      LEU  73   4.128  -3.901   1.618
  736    QQD  LEU  73           QQD      LEU  73   5.341  -4.655   2.238
  737    H    GLN  74           HN       GLN  74   3.842  -7.380  -0.229
  738    HA   GLN  74           HA       GLN  74   3.999  -8.622  -2.945
  739   1HB   GLN  74           2HB      GLN  74   2.271  -9.321  -0.563
  740   2HB   GLN  74           3HB      GLN  74   1.878  -9.861  -2.192
  741   1HG   GLN  74           2HG      GLN  74   4.128 -10.921  -2.366
  742   2HG   GLN  74           3HG      GLN  74   4.491 -10.404  -0.721
  743   1HE2  GLN  74           2HE      GLN  74   1.397 -12.671   0.036
  744   2HE2  GLN  74           1HE      GLN  74   1.400 -10.992  -0.209
  745    QB   GLN  74           QB       GLN  74   2.074  -9.591  -1.377
  746    QG   GLN  74           QG       GLN  74   4.310 -10.662  -1.544
  747    QE2  GLN  74           QE2      GLN  74   1.398 -11.832  -0.086
  748    OH   TYR  75           OH       TYR  75   6.765  -5.931  -7.563
  749    H    TYR  75           HN       TYR  75   2.558  -8.068  -4.422
  750    HA   TYR  75           HA       TYR  75   0.275  -6.340  -3.871
  751   1HB   TYR  75           2HB      TYR  75   1.132  -4.582  -5.518
  752   2HB   TYR  75           3HB      TYR  75   1.964  -4.604  -3.970
  753    HD1  TYR  75           HD1      TYR  75   4.185  -6.017  -3.846
  754    HD2  TYR  75           HD2      TYR  75   2.394  -4.789  -7.507
  755    HE1  TYR  75           HE1      TYR  75   6.323  -6.333  -4.999
  756    HE2  TYR  75           HE2      TYR  75   4.531  -5.120  -8.655
  757    HH   TYR  75           HH       TYR  75   7.405  -5.275  -7.225
  758    QB   TYR  75           QB       TYR  75   1.548  -4.593  -4.744
  759    QR   TYR  75           QR       TYR  75   4.358  -5.565  -6.252
  760    H    GLU  76           HN       GLU  76  -1.119  -6.234  -5.723
  761    HA   GLU  76           HA       GLU  76  -0.347  -7.918  -8.063
  762   1HB   GLU  76           2HB      GLU  76  -2.864  -8.288  -6.397
  763   2HB   GLU  76           3HB      GLU  76  -2.587  -9.063  -7.941
  764   1HG   GLU  76           2HG      GLU  76  -0.568 -10.192  -6.984
  765   2HG   GLU  76           3HG      GLU  76  -0.916  -9.450  -5.423
  766    QB   GLU  76           QB       GLU  76  -2.725  -8.675  -7.168
  767    QG   GLU  76           QG       GLU  76  -0.742  -9.821  -6.203
  768    H    VAL  77           HN       VAL  77  -1.963  -7.671  -9.876
  769    HA   VAL  77           HA       VAL  77  -3.352  -5.008  -9.761
  770    HB   VAL  77           HB       VAL  77  -2.015  -6.213 -12.216
  771   1HG1  VAL  77           2HG      VAL  77  -3.927  -4.701 -12.689
  772   2HG1  VAL  77           3HG      VAL  77  -3.189  -3.450 -11.693
  773   3HG1  VAL  77           1HG      VAL  77  -2.409  -3.965 -13.185
  774   1HG2  VAL  77           3HG      VAL  77  -0.315  -5.516 -10.549
  775   2HG2  VAL  77           1HG      VAL  77  -0.306  -4.441 -11.941
  776   3HG2  VAL  77           2HG      VAL  77  -1.066  -3.931 -10.439
  777    QG1  VAL  77           QG1      VAL  77  -3.175  -4.038 -12.522
  778    QG2  VAL  77           QG2      VAL  77  -0.562  -4.629 -10.977
  779    QQG  VAL  77           QQG      VAL  77  -1.869  -4.334 -11.749
  780    H    LEU  78           HN       LEU  78  -5.542  -5.528  -9.756
  781    HA   LEU  78           HA       LEU  78  -6.414  -7.637 -11.629
  782   1HB   LEU  78           2HB      LEU  78  -7.638  -6.927  -8.925
  783   2HB   LEU  78           3HB      LEU  78  -8.124  -8.247  -9.986
  784    HG   LEU  78           HG       LEU  78  -5.426  -8.747  -9.715
  785   1HD1  LEU  78           1HD      LEU  78  -5.207  -6.933  -8.013
  786   2HD1  LEU  78           2HD      LEU  78  -6.423  -7.748  -7.027
  787   3HD1  LEU  78           3HD      LEU  78  -4.876  -8.523  -7.328
  788   1HD2  LEU  78           1HD      LEU  78  -7.650  -9.741  -7.898
  789   2HD2  LEU  78           2HD      LEU  78  -7.222 -10.414  -9.471
  790   3HD2  LEU  78           3HD      LEU  78  -6.087 -10.522  -8.128
  791    QB   LEU  78           QB       LEU  78  -7.881  -7.587  -9.455
  792    QD1  LEU  78           QD1      LEU  78  -5.502  -7.735  -7.456
  793    QD2  LEU  78           QD2      LEU  78  -6.986 -10.226  -8.499
  794    QQD  LEU  78           QQD      LEU  78  -6.244  -8.981  -7.977
  795    H    ILE  79           HN       ILE  79  -9.116  -6.831 -10.781
  796    HA   ILE  79           HA       ILE  79  -9.497  -4.812 -12.778
  797    HB   ILE  79           HB       ILE  79 -11.455  -6.005 -10.833
  798   1HG1  ILE  79           2HG      ILE  79 -11.074  -6.482 -13.820
  799   2HG1  ILE  79           3HG      ILE  79 -10.490  -7.547 -12.549
  800   1HG2  ILE  79           2HG      ILE  79 -12.194  -3.736 -11.564
  801   2HG2  ILE  79           3HG      ILE  79 -12.055  -4.238 -13.247
  802   3HG2  ILE  79           1HG      ILE  79 -13.247  -4.988 -12.191
  803   1HD1  ILE  79           2HD      ILE  79 -12.827  -7.852 -11.746
  804   2HD1  ILE  79           3HD      ILE  79 -13.400  -6.824 -13.055
  805   3HD1  ILE  79           1HD      ILE  79 -12.640  -8.367 -13.417
  806    QG1  ILE  79           QG1      ILE  79 -10.781  -7.014 -13.184
  807    QG2  ILE  79           QG2      ILE  79 -12.499  -4.321 -12.334
  808    QD1  ILE  79           QD1      ILE  79 -12.956  -7.681 -12.739
  809    H    ASN  80           HN       ASN  80  -9.422  -5.032  -9.702
  810    HA   ASN  80           HA       ASN  80  -8.746  -3.514  -7.970
  811   1HB   ASN  80           2HB      ASN  80  -7.914  -1.892  -9.680
  812   2HB   ASN  80           3HB      ASN  80  -9.557  -1.268  -9.854
  813   1HD2  ASN  80           2HD      ASN  80  -7.335   0.039  -6.819
  814   2HD2  ASN  80           1HD      ASN  80  -6.720  -0.709  -8.220
  815    QB   ASN  80           QB       ASN  80  -8.735  -1.580  -9.766
  816    QD2  ASN  80           QD2      ASN  80  -7.027  -0.336  -7.519
  817    H    ASN  81           HN       ASN  81 -11.549  -2.111  -9.706
  818    HA   ASN  81           HA       ASN  81 -12.973  -2.163  -7.068
  819   1HB   ASN  81           2HB      ASN  81 -12.452   0.073  -8.321
  820   2HB   ASN  81           3HB      ASN  81 -13.730  -0.416  -9.422
  821   1HD2  ASN  81                 ASN  81 -15.765  -0.386  -6.070
  822   2HD2  ASN  81           1HD      ASN  81 -14.968  -1.728  -6.740
  823    QB   ASN  81           QB       ASN  81 -13.091  -0.172  -8.872
  824    QD2  ASN  81           QD2      ASN  81 -15.366  -1.057  -6.405
   
  Start of MODEL          12
 Raw file had 824 H/Q atoms
  Start of MODEL   12
    1   1H    HIS   1           HN3      HIS   1   7.599  15.645 -26.076
    2   2H    HIS   1           HN1      HIS   1   7.685  15.017 -24.546
    3   3H    HIS   1           HN2      HIS   1   7.912  14.034 -25.858
    4    HA   HIS   1           HA       HIS   1   5.808  13.564 -25.955
    5   1HB   HIS   1           2HB      HIS   1   5.794  15.440 -23.596
    6   2HB   HIS   1           3HB      HIS   1   4.284  14.837 -24.217
    7    HD1  HIS   1           HD1      HIS   1   4.358  12.116 -24.496
    8    HD2  HIS   1           HD2      HIS   1   6.793  13.723 -21.585
    9    HE1  HIS   1           HE1      HIS   1   4.928  10.238 -22.915
   10    QB   HIS   1           QB       HIS   1   5.039  15.139 -23.907
   11    H    HIS   2           HN       HIS   2   3.485  14.772 -26.106
   12    HA   HIS   2           HA       HIS   2   3.907  16.894 -28.141
   13   1HB   HIS   2           2HB      HIS   2   1.478  15.239 -27.407
   14   2HB   HIS   2           3HB      HIS   2   1.493  16.442 -28.668
   15    HD1  HIS   2           HD1      HIS   2   3.057  13.157 -27.821
   16    HD2  HIS   2           HD2      HIS   2   2.445  15.498 -31.159
   17    HE1  HIS   2           HE1      HIS   2   3.766  11.787 -29.794
   18    QB   HIS   2           QB       HIS   2   1.485  15.840 -28.037
   19    H    SER   3           HN       SER   3   0.820  16.796 -26.591
   20    HA   SER   3           HA       SER   3   1.429  19.371 -25.182
   21   1HB   SER   3           2HB      SER   3  -1.046  19.883 -25.694
   22   2HB   SER   3           3HB      SER   3   0.018  19.837 -27.115
   23    HG   SER   3           HG       SER   3  -1.464  18.374 -27.690
   24    QB   SER   3           QB       SER   3  -0.513  19.860 -26.405
   25    H    GLY   4           HN       GLY   4  -1.025  16.853 -25.339
   26   1HA   GLY   4           1HA      GLY   4  -1.061  16.714 -22.333
   27   2HA   GLY   4           2HA      GLY   4  -2.511  16.518 -23.321
   28    QA   GLY   4           QA       GLY   4  -1.786  16.616 -22.827
   29    H    GLU   5           HN       GLU   5   0.767  15.237 -23.117
   30    HA   GLU   5           HA       GLU   5  -0.298  12.495 -23.684
   31   1HB   GLU   5           2HB      GLU   5   1.054  13.582 -25.494
   32   2HB   GLU   5           3HB      GLU   5   2.397  13.703 -24.375
   33   1HG   GLU   5           2HG      GLU   5   2.465  11.206 -24.211
   34   2HG   GLU   5           3HG      GLU   5   1.134  11.115 -25.367
   35    QB   GLU   5           QB       GLU   5   1.726  13.642 -24.934
   36    QG   GLU   5           QG       GLU   5   1.800  11.160 -24.789
   37    H    HIS   6           HN       HIS   6   1.079  10.769 -22.816
   38    HA   HIS   6           HA       HIS   6   2.773  11.410 -20.490
   39   1HB   HIS   6           2HB      HIS   6  -0.019  10.535 -20.299
   40   2HB   HIS   6           3HB      HIS   6   1.047   9.416 -19.500
   41    HD1  HIS   6           HD1      HIS   6   1.324  13.130 -19.610
   42    HD2  HIS   6           HD2      HIS   6   0.733  10.169 -16.803
   43    HE1  HIS   6           HE1      HIS   6   1.292  14.267 -17.364
   44    QB   HIS   6           QB       HIS   6   0.514   9.975 -19.900
   45    H    PHE   7           HN       PHE   7   3.092   8.962 -19.428
   46    HA   PHE   7           HA       PHE   7   3.869   7.256 -21.767
   47   1HB   PHE   7           2HB      PHE   7   5.766   6.473 -20.536
   48   2HB   PHE   7           3HB      PHE   7   5.753   8.210 -20.290
   49    HD1  PHE   7          2HD       PHE   7   5.148   9.149 -18.084
   50    HD2  PHE   7          1HD       PHE   7   5.236   4.940 -18.704
   51    HE1  PHE   7          2HE       PHE   7   5.144   8.792 -15.663
   52    HE2  PHE   7          1HE       PHE   7   5.235   4.583 -16.274
   53    HZ   PHE   7           HZ       PHE   7   5.197   6.515 -14.747
   54    QB   PHE   7           QB       PHE   7   5.760   7.342 -20.413
   55    QR   PHE   7           QR       PHE   7   5.191   6.866 -17.181
   56    H    GLU   8           HN       GLU   8   2.767   7.295 -18.420
   57    HA   GLU   8           HA       GLU   8   0.939   5.046 -19.008
   58   1HB   GLU   8           2HB      GLU   8   3.119   4.186 -17.962
   59   2HB   GLU   8           3HB      GLU   8   2.667   5.078 -16.514
   60   1HG   GLU   8           2HG      GLU   8   0.474   3.825 -16.517
   61   2HG   GLU   8           3HG      GLU   8   1.077   2.862 -17.858
   62    QB   GLU   8           QB       GLU   8   2.893   4.632 -17.239
   63    QG   GLU   8           QG       GLU   8   0.776   3.344 -17.188
   64    H    GLY   9           HN       GLY   9  -0.869   5.032 -17.535
   65   1HA   GLY   9           1HA      GLY   9  -1.066   7.372 -15.685
   66   2HA   GLY   9           2HA      GLY   9  -2.308   7.161 -16.916
   67    QA   GLY   9           QA       GLY   9  -1.688   7.267 -16.300
   68    H    GLU  10           HN       GLU  10  -3.279   4.945 -16.927
   69    HA   GLU  10           HA       GLU  10  -4.501   4.382 -14.425
   70   1HB   GLU  10           2HB      GLU  10  -4.343   2.770 -16.997
   71   2HB   GLU  10           3HB      GLU  10  -5.398   2.360 -15.654
   72   1HG   GLU  10           2HG      GLU  10  -6.807   3.636 -17.063
   73   2HG   GLU  10           3HG      GLU  10  -6.281   4.812 -15.872
   74    QB   GLU  10           QB       GLU  10  -4.870   2.565 -16.326
   75    QG   GLU  10           QG       GLU  10  -6.544   4.223 -16.468
   76    H    LYS  11           HN       LYS  11  -2.609   4.157 -13.057
   77    HA   LYS  11           HA       LYS  11  -1.378   1.418 -13.286
   78   1HB   LYS  11           2HB      LYS  11   0.040   3.249 -13.794
   79   2HB   LYS  11           3HB      LYS  11  -0.190   3.866 -12.178
   80   1HG   LYS  11           2HG      LYS  11   0.756   1.715 -11.308
   81   2HG   LYS  11           3HG      LYS  11   1.096   1.237 -12.963
   82   1HD   LYS  11           2HD      LYS  11   2.311   3.601 -13.074
   83   2HD   LYS  11           3HD      LYS  11   2.359   3.431 -11.330
   84   1HE   LYS  11           2HE      LYS  11   4.421   2.544 -12.297
   85   2HE   LYS  11           3HE      LYS  11   3.491   1.222 -11.593
   86   1HZ   LYS  11           1HZ      LYS  11   2.604   1.561 -14.197
   87   2HZ   LYS  11           2HZ      LYS  11   4.277   1.584 -14.286
   88   3HZ   LYS  11           3HZ      LYS  11   3.488   0.255 -13.577
   89    QB   LYS  11           QB       LYS  11  -0.075   3.557 -12.986
   90    QG   LYS  11           QG       LYS  11   0.926   1.476 -12.135
   91    QD   LYS  11           QD       LYS  11   2.335   3.516 -12.201
   92    QE   LYS  11           QE       LYS  11   3.956   1.882 -11.945
   93    QZ   LYS  11           QZ       LYS  11   3.457   1.134 -14.020
   94    H    VAL  12           HN       VAL  12  -2.598   0.722 -12.227
   95    HA   VAL  12           HA       VAL  12  -3.342   1.473  -9.428
   96    HB   VAL  12           HB       VAL  12  -5.265   1.018 -10.891
   97   1HG1  VAL  12           1HG      VAL  12  -4.093  -1.758 -11.184
   98   2HG1  VAL  12           2HG      VAL  12  -5.665  -1.243 -11.782
   99   3HG1  VAL  12           3HG      VAL  12  -4.195  -0.550 -12.455
  100   1HG2  VAL  12           2HG      VAL  12  -4.861  -1.132  -8.784
  101   2HG2  VAL  12           3HG      VAL  12  -5.499   0.485  -8.510
  102   3HG2  VAL  12           1HG      VAL  12  -6.407  -0.668  -9.479
  103    QG1  VAL  12           QG1      VAL  12  -4.651  -1.184 -11.807
  104    QG2  VAL  12           QG2      VAL  12  -5.589  -0.438  -8.925
  105    QQG  VAL  12           QQG      VAL  12  -5.119  -0.811 -10.366
  106    H    PHE  13           HN       PHE  13  -3.155   0.166  -7.754
  107    HA   PHE  13           HA       PHE  13  -1.442  -2.249  -8.074
  108   1HB   PHE  13           2HB      PHE  13  -1.216  -0.352  -5.732
  109   2HB   PHE  13           3HB      PHE  13  -0.071  -1.585  -6.249
  110    HD1  PHE  13          1HD       PHE  13  -1.437   1.775  -7.026
  111    HD2  PHE  13          2HD       PHE  13   1.444  -1.182  -8.073
  112    HE1  PHE  13          1HE       PHE  13  -0.300   3.391  -8.481
  113    HE2  PHE  13          2HE       PHE  13   2.600   0.456  -9.482
  114    HZ   PHE  13           HZ       PHE  13   1.812   2.758  -9.585
  115    QB   PHE  13           QB       PHE  13  -0.643  -0.968  -5.990
  116    QR   PHE  13           QR       PHE  13   0.577   1.110  -8.266
  117    NH1  ARG  14           NH2      ARG  14  -8.051  -8.551  -6.862
  118    NH2  ARG  14           NH1      ARG  14  -6.045  -9.435  -7.530
  119    H    ARG  14           HN       ARG  14  -1.995  -3.894  -6.769
  120    HA   ARG  14           HA       ARG  14  -4.218  -3.473  -4.819
  121   1HB   ARG  14           2HB      ARG  14  -5.124  -4.630  -6.795
  122   2HB   ARG  14           3HB      ARG  14  -3.827  -5.821  -6.711
  123   1HG   ARG  14           2HG      ARG  14  -4.682  -6.829  -4.784
  124   2HG   ARG  14           3HG      ARG  14  -5.511  -5.362  -4.261
  125   1HD   ARG  14           2HD      ARG  14  -7.116  -7.066  -5.045
  126   2HD   ARG  14           3HD      ARG  14  -7.169  -5.630  -6.066
  127    HE   ARG  14           HE       ARG  14  -5.546  -6.986  -7.605
  128   1HH1  ARG  14           2HH      ARG  14  -8.545  -7.742  -6.549
  129   2HH1  ARG  14           1HH      ARG  14  -8.532  -9.415  -6.984
  130   1HH2  ARG  14           2HH      ARG  14  -5.060  -9.282  -7.690
  131   2HH2  ARG  14           1HH      ARG  14  -6.432 -10.332  -7.694
  132    QB   ARG  14           QB       ARG  14  -4.476  -5.226  -6.753
  133    QG   ARG  14           QG       ARG  14  -5.097  -6.095  -4.522
  134    QD   ARG  14           QD       ARG  14  -7.142  -6.349  -5.555
  135    QH1  ARG  14           QH2      ARG  14  -8.538  -8.579  -6.766
  136    QH2  ARG  14           QH1      ARG  14  -5.746  -9.807  -7.692
  137    H    VAL  15           HN       VAL  15  -3.283  -3.832  -2.879
  138    HA   VAL  15           HA       VAL  15  -1.046  -5.787  -2.753
  139    HB   VAL  15           HB       VAL  15  -1.990  -3.494  -1.036
  140   1HG1  VAL  15           3HG      VAL  15   0.097  -5.551  -0.222
  141   2HG1  VAL  15           1HG      VAL  15  -0.254  -4.056   0.635
  142   3HG1  VAL  15           2HG      VAL  15  -1.464  -5.325   0.561
  143   1HG2  VAL  15           3HG      VAL  15  -0.465  -3.058  -2.929
  144   2HG2  VAL  15           1HG      VAL  15   0.339  -2.740  -1.392
  145   3HG2  VAL  15           2HG      VAL  15   0.673  -4.223  -2.270
  146    QG1  VAL  15           QG1      VAL  15  -0.540  -4.977   0.324
  147    QG2  VAL  15           QG2      VAL  15   0.183  -3.341  -2.197
  148    QQG  VAL  15           QQG      VAL  15  -0.179  -4.158  -0.936
  149    H    ASN  16           HN       ASN  16  -1.049  -7.378  -1.111
  150    HA   ASN  16           HA       ASN  16  -3.777  -8.218  -0.232
  151   1HB   ASN  16           2HB      ASN  16  -1.281  -9.871  -0.764
  152   2HB   ASN  16           3HB      ASN  16  -2.792 -10.500  -0.155
  153   1HD2  ASN  16           2HD      ASN  16  -2.357 -10.450  -4.042
  154   2HD2  ASN  16           1HD      ASN  16  -1.106 -10.508  -2.904
  155    QB   ASN  16           QB       ASN  16  -2.036 -10.186  -0.460
  156    QD2  ASN  16           QD2      ASN  16  -1.731 -10.479  -3.473
  157    H    VAL  17           HN       VAL  17  -3.846  -7.455   1.867
  158    HA   VAL  17           HA       VAL  17  -1.515  -7.173   3.519
  159    HB   VAL  17           HB       VAL  17  -4.294  -7.600   4.652
  160   1HG1  VAL  17           2HG      VAL  17  -2.381  -7.170   6.178
  161   2HG1  VAL  17           3HG      VAL  17  -2.047  -5.667   5.318
  162   3HG1  VAL  17           1HG      VAL  17  -3.552  -5.855   6.217
  163   1HG2  VAL  17           2HG      VAL  17  -3.309  -5.095   3.226
  164   2HG2  VAL  17           3HG      VAL  17  -4.623  -6.132   2.683
  165   3HG2  VAL  17           1HG      VAL  17  -4.792  -5.210   4.163
  166    QG1  VAL  17           QG1      VAL  17  -2.660  -6.230   5.905
  167    QG2  VAL  17           QG2      VAL  17  -4.242  -5.479   3.358
  168    QQG  VAL  17           QQG      VAL  17  -3.450  -5.855   4.632
  169    H    GLU  18           HN       GLU  18  -0.537  -9.282   3.071
  170    HA   GLU  18           HA       GLU  18  -1.622 -11.808   3.536
  171   1HB   GLU  18           2HB      GLU  18   1.202 -10.833   4.069
  172   2HB   GLU  18           3HB      GLU  18   0.737 -12.511   4.000
  173   1HG   GLU  18           2HG      GLU  18   0.426 -10.574   1.686
  174   2HG   GLU  18           3HG      GLU  18   1.746 -11.726   1.853
  175    QB   GLU  18           QB       GLU  18   0.970 -11.672   4.035
  176    QG   GLU  18           QG       GLU  18   1.086 -11.150   1.769
  177    H    ASP  19           HN       ASP  19   0.409 -10.020   5.809
  178    HA   ASP  19           HA       ASP  19  -1.122 -11.177   8.066
  179   1HB   ASP  19           2HB      ASP  19   0.887 -11.923   9.180
  180   2HB   ASP  19           3HB      ASP  19   1.042 -12.506   7.533
  181    QB   ASP  19           QB       ASP  19   0.964 -12.214   8.357
  182    H    GLU  20           HN       GLU  20   1.268  -9.899   9.582
  183    HA   GLU  20           HA       GLU  20   0.103  -7.253   9.856
  184   1HB   GLU  20           2HB      GLU  20   2.490  -8.655  11.123
  185   2HB   GLU  20           3HB      GLU  20   1.880  -7.097  11.611
  186   1HG   GLU  20           2HG      GLU  20   0.240  -9.649  11.672
  187   2HG   GLU  20           3HG      GLU  20   1.053  -8.965  13.070
  188    QB   GLU  20           QB       GLU  20   2.185  -7.876  11.368
  189    QG   GLU  20           QG       GLU  20   0.647  -9.307  12.370
  190    H    ASN  21           HN       ASN  21   3.114  -8.761   8.765
  191    HA   ASN  21           HA       ASN  21   4.910  -6.743   8.352
  192   1HB   ASN  21           2HB      ASN  21   5.127  -9.115   7.557
  193   2HB   ASN  21           3HB      ASN  21   4.152  -8.694   6.158
  194   1HD2  ASN  21           2HD      ASN  21   8.069  -7.688   6.255
  195   2HD2  ASN  21           1HD      ASN  21   7.333  -8.515   7.542
  196    QB   ASN  21           QB       ASN  21   4.640  -8.905   6.858
  197    QD2  ASN  21           QD2      ASN  21   7.701  -8.102   6.898
  198    H    ASP  22           HN       ASP  22   2.435  -7.416   5.867
  199    HA   ASP  22           HA       ASP  22   2.931  -5.132   4.269
  200   1HB   ASP  22           2HB      ASP  22   1.317  -6.829   3.518
  201   2HB   ASP  22           3HB      ASP  22   0.232  -6.424   4.841
  202    QB   ASP  22           QB       ASP  22   0.775  -6.627   4.179
  203    H    ILE  23           HN       ILE  23   0.742  -5.497   7.012
  204    HA   ILE  23           HA       ILE  23  -0.360  -2.882   6.960
  205    HB   ILE  23           HB       ILE  23   0.138  -4.769   9.297
  206   1HG1  ILE  23           2HG      ILE  23  -2.347  -4.213   7.629
  207   2HG1  ILE  23           3HG      ILE  23  -1.256  -5.557   7.340
  208   1HG2  ILE  23           2HG      ILE  23  -0.226  -2.428  10.064
  209   2HG2  ILE  23           3HG      ILE  23  -1.696  -2.358   9.098
  210   3HG2  ILE  23           1HG      ILE  23  -1.596  -3.455  10.465
  211   1HD1  ILE  23           1HD      ILE  23  -1.712  -6.434   9.602
  212   2HD1  ILE  23           2HD      ILE  23  -2.808  -5.090   9.900
  213   3HD1  ILE  23           3HD      ILE  23  -3.190  -6.280   8.661
  214    QG1  ILE  23           QG1      ILE  23  -1.802  -4.885   7.484
  215    QG2  ILE  23           QG2      ILE  23  -1.172  -2.746   9.875
  216    QD1  ILE  23           QD1      ILE  23  -2.570  -5.935   9.388
  217    H    SER  24           HN       SER  24   2.463  -4.106   8.693
  218    HA   SER  24           HA       SER  24   3.143  -1.588   9.937
  219   1HB   SER  24           2HB      SER  24   4.896  -4.004   9.248
  220   2HB   SER  24           3HB      SER  24   5.360  -2.690  10.350
  221    HG   SER  24           HG       SER  24   3.286  -4.598  10.593
  222    QB   SER  24           QB       SER  24   5.127  -3.347   9.798
  223    H    GLU  25           HN       GLU  25   4.793  -3.259   7.239
  224    HA   GLU  25           HA       GLU  25   6.399  -1.147   6.366
  225   1HB   GLU  25           2HB      GLU  25   5.161  -3.553   5.112
  226   2HB   GLU  25           3HB      GLU  25   5.874  -2.378   4.022
  227   1HG   GLU  25           2HG      GLU  25   7.453  -4.234   4.806
  228   2HG   GLU  25           3HG      GLU  25   8.048  -2.604   5.082
  229    QB   GLU  25           QB       GLU  25   5.517  -2.965   4.567
  230    QG   GLU  25           QG       GLU  25   7.750  -3.419   4.944
  231    H    LEU  26           HN       LEU  26   3.052  -1.827   5.339
  232    HA   LEU  26           HA       LEU  26   2.879   0.385   3.521
  233   1HB   LEU  26           2HB      LEU  26   1.379  -1.763   3.815
  234   2HB   LEU  26           3HB      LEU  26   0.471  -0.762   4.932
  235    HG   LEU  26           HG       LEU  26   1.151   0.035   2.094
  236   1HD1  LEU  26           1HD      LEU  26  -1.388  -1.187   3.225
  237   2HD1  LEU  26           2HD      LEU  26  -1.209  -0.579   1.582
  238   3HD1  LEU  26           3HD      LEU  26  -0.269  -1.972   2.116
  239   1HD2  LEU  26           1HD      LEU  26  -0.846   1.151   4.107
  240   2HD2  LEU  26           2HD      LEU  26   0.605   1.957   3.523
  241   3HD2  LEU  26           3HD      LEU  26  -0.725   1.662   2.424
  242    QB   LEU  26           QB       LEU  26   0.925  -1.262   4.373
  243    QD1  LEU  26           QD1      LEU  26  -0.955  -1.246   2.307
  244    QD2  LEU  26           QD2      LEU  26  -0.322   1.590   3.351
  245    QQD  LEU  26           QQD      LEU  26  -0.639   0.172   2.829
  246    H    HIS  27           HN       HIS  27   1.795  -0.059   6.890
  247    HA   HIS  27           HA       HIS  27   0.587   2.457   7.325
  248   1HB   HIS  27           2HB      HIS  27   2.115   0.557   9.053
  249   2HB   HIS  27           3HB      HIS  27   1.849   2.154   9.681
  250    HD1  HIS  27           HD1      HIS  27  -0.412  -0.143   7.810
  251    HD2  HIS  27           HD2      HIS  27  -0.375   1.883  11.382
  252    HE1  HIS  27           HE1      HIS  27  -2.711  -0.419   8.809
  253    QB   HIS  27           QB       HIS  27   1.982   1.355   9.367
  254    H    GLU  28           HN       GLU  28   3.910   1.471   7.535
  255    HA   GLU  28           HA       GLU  28   5.221   3.819   8.248
  256   1HB   GLU  28           2HB      GLU  28   6.078   1.400   7.667
  257   2HB   GLU  28           3HB      GLU  28   6.274   2.034   6.042
  258   1HG   GLU  28           2HG      GLU  28   8.371   2.216   7.359
  259   2HG   GLU  28           3HG      GLU  28   7.766   3.799   6.881
  260    QB   GLU  28           QB       GLU  28   6.176   1.717   6.855
  261    QG   GLU  28           QG       GLU  28   8.069   3.007   7.120
  262    H    LEU  29           HN       LEU  29   4.257   2.811   4.992
  263    HA   LEU  29           HA       LEU  29   5.229   5.279   3.742
  264   1HB   LEU  29           2HB      LEU  29   5.219   3.061   2.583
  265   2HB   LEU  29           3HB      LEU  29   3.466   3.061   2.634
  266    HG   LEU  29           HG       LEU  29   3.668   5.364   1.378
  267   1HD1  LEU  29           1HD      LEU  29   6.347   4.070   0.736
  268   2HD1  LEU  29           2HD      LEU  29   5.675   5.479  -0.076
  269   3HD1  LEU  29           3HD      LEU  29   6.127   5.575   1.623
  270   1HD2  LEU  29           2HD      LEU  29   4.349   2.721   0.036
  271   2HD2  LEU  29           3HD      LEU  29   2.725   3.292   0.409
  272   3HD2  LEU  29           1HD      LEU  29   3.706   4.139  -0.786
  273    QB   LEU  29           QB       LEU  29   4.342   3.061   2.609
  274    QD1  LEU  29           QD1      LEU  29   6.050   5.041   0.761
  275    QD2  LEU  29           QD2      LEU  29   3.593   3.384  -0.113
  276    QQD  LEU  29           QQD      LEU  29   4.822   4.213   0.324
  277    H    ALA  30           HN       ALA  30   1.985   3.860   4.183
  278    HA   ALA  30           HA       ALA  30   0.475   5.995   3.144
  279   1HB   ALA  30           2HB      ALA  30  -0.482   3.803   3.783
  280   2HB   ALA  30           3HB      ALA  30  -0.260   4.208   5.480
  281   3HB   ALA  30           1HB      ALA  30  -1.387   5.135   4.494
  282    QB   ALA  30           QB       ALA  30  -0.709   4.382   4.585
  283    H    SER  31           HN       SER  31   2.086   5.719   6.222
  284    HA   SER  31           HA       SER  31   0.749   8.192   7.170
  285   1HB   SER  31           2HB      SER  31   2.864   6.511   8.583
  286   2HB   SER  31           3HB      SER  31   1.773   7.706   9.314
  287    HG   SER  31           HG       SER  31   1.277   5.136   8.428
  288    QB   SER  31           QB       SER  31   2.319   7.109   8.948
  289    H    THR  32           HN       THR  32   4.176   7.087   6.934
  290    HA   THR  32           HA       THR  32   5.320   9.652   7.218
  291    HB   THR  32           HB       THR  32   6.404   7.357   5.505
  292    HG1  THR  32          1HG       THR  32   6.433   6.438   7.412
  293   1HG2  THR  32           2HG      THR  32   7.815   9.516   7.154
  294   2HG2  THR  32           3HG      THR  32   8.600   8.262   6.201
  295   3HG2  THR  32           1HG      THR  32   7.709   9.553   5.396
  296    QG2  THR  32           QG2      THR  32   8.041   9.111   6.250
  297    NH1  ARG  33           NH2      ARG  33   3.276  10.527  -2.595
  298    NH2  ARG  33           NH1      ARG  33   3.819   8.434  -3.343
  299    H    ARG  33           HN       ARG  33   4.022   8.115   4.331
  300    HA   ARG  33           HA       ARG  33   4.460  10.703   2.870
  301   1HB   ARG  33           2HB      ARG  33   5.819   8.500   2.255
  302   2HB   ARG  33           3HB      ARG  33   4.344   8.089   1.393
  303   1HG   ARG  33           2HG      ARG  33   4.650  10.665   0.567
  304   2HG   ARG  33           3HG      ARG  33   6.337  10.245   0.846
  305   1HD   ARG  33           2HD      ARG  33   5.973   9.611  -1.412
  306   2HD   ARG  33           3HD      ARG  33   5.792   8.087  -0.532
  307    HE   ARG  33           HE       ARG  33   3.249   8.677  -0.541
  308   1HH1  ARG  33           2HH      ARG  33   3.174  11.148  -1.814
  309   2HH1  ARG  33           1HH      ARG  33   3.066  10.850  -3.520
  310   1HH2  ARG  33           2HH      ARG  33   4.178   7.525  -3.130
  311   2HH2  ARG  33           1HH      ARG  33   3.577   8.656  -4.298
  312    QB   ARG  33           QB       ARG  33   5.082   8.294   1.824
  313    QG   ARG  33           QG       ARG  33   5.493  10.455   0.707
  314    QD   ARG  33           QD       ARG  33   5.883   8.849  -0.972
  315    QH1  ARG  33           QH2      ARG  33   3.120  10.998  -2.667
  316    QH2  ARG  33           QH1      ARG  33   3.877   8.090  -3.714
  317    H    GLN  34           HN       GLN  34   2.084  10.034   4.285
  318    HA   GLN  34           HA       GLN  34  -0.214   9.189   3.685
  319   1HB   GLN  34           2HB      GLN  34   0.367  11.614   4.523
  320   2HB   GLN  34           3HB      GLN  34  -0.163  12.089   2.922
  321   1HG   GLN  34           2HG      GLN  34  -1.845  10.348   4.763
  322   2HG   GLN  34           3HG      GLN  34  -1.951  12.096   4.765
  323   1HE2  GLN  34           2HE      GLN  34  -3.021  11.482   1.065
  324   2HE2  GLN  34           1HE      GLN  34  -1.440  11.787   1.618
  325    QB   GLN  34           QB       GLN  34   0.102  11.852   3.722
  326    QG   GLN  34           QG       GLN  34  -1.898  11.221   4.764
  327    QE2  GLN  34           QE2      GLN  34  -2.231  11.635   1.341
  328    H    ILE  35           HN       ILE  35  -0.722   7.922   1.926
  329    HA   ILE  35           HA       ILE  35  -0.884   9.339  -0.726
  330    HB   ILE  35           HB       ILE  35  -0.567   6.348  -0.235
  331   1HG1  ILE  35           2HG      ILE  35   1.403   8.451  -1.187
  332   2HG1  ILE  35           3HG      ILE  35   1.463   7.605   0.356
  333   1HG2  ILE  35           2HG      ILE  35  -0.493   7.967  -2.825
  334   2HG2  ILE  35           3HG      ILE  35  -0.181   6.239  -2.692
  335   3HG2  ILE  35           1HG      ILE  35  -1.782   6.859  -2.349
  336   1HD1  ILE  35           1HD      ILE  35   1.684   5.437  -0.878
  337   2HD1  ILE  35           2HD      ILE  35   1.768   6.338  -2.391
  338   3HD1  ILE  35           3HD      ILE  35   3.025   6.533  -1.180
  339    QG1  ILE  35           QG1      ILE  35   1.433   8.028  -0.415
  340    QG2  ILE  35           QG2      ILE  35  -0.819   7.021  -2.622
  341    QD1  ILE  35           QD1      ILE  35   2.159   6.103  -1.483
  342    H    ASP  36           HN       ASP  36  -2.603   8.671  -2.115
  343    HA   ASP  36           HA       ASP  36  -5.133   8.375  -0.675
  344   1HB   ASP  36           2HB      ASP  36  -6.122   8.699  -3.012
  345   2HB   ASP  36           3HB      ASP  36  -5.197  10.037  -2.375
  346    QB   ASP  36           QB       ASP  36  -5.659   9.369  -2.694
  347    H    PHE  37           HN       PHE  37  -6.366   6.595  -0.579
  348    HA   PHE  37           HA       PHE  37  -5.306   4.113  -1.842
  349   1HB   PHE  37           2HB      PHE  37  -7.222   4.613   0.459
  350   2HB   PHE  37           3HB      PHE  37  -6.994   3.019  -0.237
  351    HD1  PHE  37          1HD       PHE  37  -3.916   4.887  -0.379
  352    HD2  PHE  37          2HD       PHE  37  -6.375   2.584   2.242
  353    HE1  PHE  37          1HE       PHE  37  -1.994   4.470   1.058
  354    HE2  PHE  37          2HE       PHE  37  -4.442   2.199   3.696
  355    HZ   PHE  37           HZ       PHE  37  -2.249   3.131   3.107
  356    QB   PHE  37           QB       PHE  37  -7.108   3.816   0.111
  357    QR   PHE  37           QR       PHE  37  -4.182   3.535   1.654
  358    CH2  TRP  38           CH2      TRP  38  -8.197   2.444 -10.000
  359    H    TRP  38           HN       TRP  38  -7.220   2.478  -2.088
  360    HA   TRP  38           HA       TRP  38  -9.399   3.742  -3.701
  361   1HB   TRP  38           2HB      TRP  38  -7.422   1.642  -4.426
  362   2HB   TRP  38           3HB      TRP  38  -9.062   1.313  -4.894
  363    HD1  TRP  38           HD1      TRP  38  -7.922   4.965  -5.094
  364    HE1  TRP  38           HE1      TRP  38  -7.825   5.672  -7.478
  365    HE3  TRP  38           HE3      TRP  38  -8.445   0.465  -7.244
  366    HZ2  TRP  38           HZ2      TRP  38  -7.942   4.565  -9.993
  367    HZ3  TRP  38           HZ3      TRP  38  -8.470   0.344  -9.721
  368    HH2  TRP  38           HH2      TRP  38  -8.195   2.371 -11.078
  369    QB   TRP  38           QB       TRP  38  -8.242   1.478  -4.660
  370    H    LYS  39           HN       LYS  39  -8.327   0.770  -2.075
  371    HA   LYS  39           HA       LYS  39 -10.943   0.485  -0.754
  372   1HB   LYS  39           2HB      LYS  39 -11.168  -0.594  -3.045
  373   2HB   LYS  39           3HB      LYS  39  -9.871  -1.688  -2.615
  374   1HG   LYS  39           2HG      LYS  39 -12.361  -1.464  -0.905
  375   2HG   LYS  39           3HG      LYS  39 -12.345  -2.487  -2.326
  376   1HD   LYS  39           2HD      LYS  39 -10.468  -2.745   0.055
  377   2HD   LYS  39           3HD      LYS  39 -11.833  -3.777  -0.290
  378   1HE   LYS  39           2HE      LYS  39 -10.562  -5.087  -1.608
  379   2HE   LYS  39           3HE      LYS  39 -10.183  -3.722  -2.645
  380   1HZ   LYS  39           2HZ      LYS  39  -8.656  -3.451  -0.318
  381   2HZ   LYS  39           3HZ      LYS  39  -8.502  -5.076  -0.837
  382   3HZ   LYS  39           1HZ      LYS  39  -8.133  -3.789  -1.891
  383    QB   LYS  39           QB       LYS  39 -10.519  -1.141  -2.830
  384    QG   LYS  39           QG       LYS  39 -12.353  -1.976  -1.615
  385    QD   LYS  39           QD       LYS  39 -11.151  -3.261  -0.118
  386    QE   LYS  39           QE       LYS  39 -10.372  -4.405  -2.127
  387    QZ   LYS  39           QZ       LYS  39  -8.430  -4.106  -1.016
  388    HA   PRO  40           HA       PRO  40 -11.498   0.097   1.196
  389   1HB   PRO  40           2HB      PRO  40 -10.155   0.770   3.756
  390   2HB   PRO  40           3HB      PRO  40 -11.607  -0.198   3.481
  391   1HG   PRO  40           2HG      PRO  40  -9.241  -1.309   4.262
  392   2HG   PRO  40           3HG      PRO  40 -10.376  -2.176   3.215
  393   1HD   PRO  40           2HD      PRO  40  -7.845  -0.704   2.447
  394   2HD   PRO  40           3HD      PRO  40  -8.484  -2.240   1.820
  395    QB   PRO  40           QB       PRO  40 -10.881   0.286   3.618
  396    QG   PRO  40           QG       PRO  40  -9.808  -1.742   3.739
  397    QD   PRO  40           QD       PRO  40  -8.165  -1.472   2.134
  398    H    ASP  41           HN       ASP  41 -10.998   2.284   3.246
  399    HA   ASP  41           HA       ASP  41 -10.254   4.380   1.272
  400   1HB   ASP  41           2HB      ASP  41 -11.547   5.881   2.637
  401   2HB   ASP  41           3HB      ASP  41 -12.483   4.398   2.500
  402    QB   ASP  41           QB       ASP  41 -12.015   5.140   2.569
  403    H    SER  42           HN       SER  42  -9.567   3.504   4.655
  404    HA   SER  42           HA       SER  42  -7.242   5.388   4.567
  405   1HB   SER  42           2HB      SER  42  -9.034   5.840   6.262
  406   2HB   SER  42           3HB      SER  42  -8.684   4.271   7.001
  407    HG   SER  42           HG       SER  42  -7.345   6.578   7.278
  408    QB   SER  42           QB       SER  42  -8.859   5.055   6.631
  409    H    VAL  43           HN       VAL  43  -5.745   4.598   6.590
  410    HA   VAL  43           HA       VAL  43  -4.711   1.934   5.709
  411    HB   VAL  43           HB       VAL  43  -3.130   3.762   5.390
  412   1HG1  VAL  43           1HG      VAL  43  -3.513   4.381   8.340
  413   2HG1  VAL  43           2HG      VAL  43  -2.358   5.170   7.268
  414   3HG1  VAL  43           3HG      VAL  43  -4.083   5.371   6.999
  415   1HG2  VAL  43           1HG      VAL  43  -2.162   1.633   6.200
  416   2HG2  VAL  43           2HG      VAL  43  -1.246   3.016   6.779
  417   3HG2  VAL  43           3HG      VAL  43  -2.345   2.181   7.863
  418    QG1  VAL  43           QG1      VAL  43  -3.318   4.974   7.536
  419    QG2  VAL  43           QG2      VAL  43  -1.918   2.277   6.948
  420    QQG  VAL  43           QQG      VAL  43  -2.618   3.626   7.242
  421    H    THR  44           HN       THR  44  -6.032   3.635   8.416
  422    HA   THR  44           HA       THR  44  -5.269   1.453  10.273
  423    HB   THR  44           HB       THR  44  -6.740   3.050  11.844
  424    HG1  THR  44          1HG       THR  44  -7.576   4.431  10.394
  425   1HG2  THR  44           3HG      THR  44  -4.142   4.072  10.587
  426   2HG2  THR  44           1HG      THR  44  -4.786   4.551  12.153
  427   3HG2  THR  44           2HG      THR  44  -4.188   2.912  11.912
  428    QG2  THR  44           QG2      THR  44  -4.372   3.844  11.551
  429    H    GLN  45           HN       GLN  45  -7.419   1.653   7.952
  430    HA   GLN  45           HA       GLN  45  -9.615   0.265   9.432
  431   1HB   GLN  45           2HB      GLN  45  -9.750   2.428   7.695
  432   2HB   GLN  45           3HB      GLN  45 -10.006   1.091   6.592
  433   1HG   GLN  45           2HG      GLN  45 -11.612   1.774   9.060
  434   2HG   GLN  45           3HG      GLN  45 -12.154   1.816   7.389
  435   1HE2  GLN  45           2HE      GLN  45 -13.053  -1.620   7.411
  436   2HE2  GLN  45           1HE      GLN  45 -13.095  -0.141   6.576
  437    QB   GLN  45           QB       GLN  45  -9.878   1.759   7.143
  438    QG   GLN  45           QG       GLN  45 -11.883   1.795   8.225
  439    QE2  GLN  45           QE2      GLN  45 -13.074  -0.880   6.993
  440    H    ILE  46           HN       ILE  46  -7.167  -0.982   8.833
  441    HA   ILE  46           HA       ILE  46  -8.013  -2.915   6.716
  442    HB   ILE  46           HB       ILE  46  -5.306  -1.608   7.157
  443   1HG1  ILE  46           2HG      ILE  46  -7.025  -1.941   4.677
  444   2HG1  ILE  46           3HG      ILE  46  -6.967  -0.491   5.672
  445   1HG2  ILE  46           2HG      ILE  46  -5.926  -4.084   5.492
  446   2HG2  ILE  46           3HG      ILE  46  -4.396  -3.210   5.467
  447   3HG2  ILE  46           1HG      ILE  46  -4.908  -4.031   6.926
  448   1HD1  ILE  46           3HD      ILE  46  -4.512  -0.323   5.238
  449   2HD1  ILE  46           1HD      ILE  46  -4.622  -1.715   4.163
  450   3HD1  ILE  46           2HD      ILE  46  -5.462  -0.226   3.761
  451    QG1  ILE  46           QG1      ILE  46  -6.996  -1.216   5.174
  452    QG2  ILE  46           QG2      ILE  46  -5.077  -3.775   5.962
  453    QD1  ILE  46           QD1      ILE  46  -4.865  -0.755   4.388
  454    H    LYS  47           HN       LYS  47  -7.425  -5.028   7.001
  455    HA   LYS  47           HA       LYS  47  -6.243  -5.761   9.638
  456   1HB   LYS  47           2HB      LYS  47  -7.808  -7.827   9.483
  457   2HB   LYS  47           3HB      LYS  47  -8.537  -6.304   9.967
  458   1HG   LYS  47           2HG      LYS  47  -9.478  -5.940   7.805
  459   2HG   LYS  47           3HG      LYS  47  -8.482  -7.172   7.072
  460   1HD   LYS  47           2HD      LYS  47 -10.510  -7.821   9.225
  461   2HD   LYS  47           3HD      LYS  47 -10.949  -7.783   7.526
  462   1HE   LYS  47           2HE      LYS  47  -8.769  -9.544   8.726
  463   2HE   LYS  47           3HE      LYS  47 -10.384 -10.090   8.291
  464   1HZ   LYS  47           2HZ      LYS  47  -9.248  -8.751   6.078
  465   2HZ   LYS  47           3HZ      LYS  47  -8.131  -9.876   6.639
  466   3HZ   LYS  47           1HZ      LYS  47  -9.678 -10.389   6.205
  467    QB   LYS  47           QB       LYS  47  -8.173  -7.066   9.725
  468    QG   LYS  47           QG       LYS  47  -8.980  -6.556   7.439
  469    QD   LYS  47           QD       LYS  47 -10.729  -7.802   8.376
  470    QE   LYS  47           QE       LYS  47  -9.576  -9.818   8.508
  471    QZ   LYS  47           QZ       LYS  47  -9.019  -9.671   6.307
  472    HA   PRO  48           HA       PRO  48  -3.548  -8.597   7.436
  473   1HB   PRO  48           2HB      PRO  48  -4.600 -10.717   9.277
  474   2HB   PRO  48           3HB      PRO  48  -2.927 -10.247   8.939
  475   1HG   PRO  48           2HG      PRO  48  -4.167  -9.526  11.255
  476   2HG   PRO  48           3HG      PRO  48  -2.967  -8.487  10.474
  477   1HD   PRO  48           2HD      PRO  48  -5.940  -8.184  10.575
  478   2HD   PRO  48           3HD      PRO  48  -4.686  -6.934  10.447
  479    QB   PRO  48           QB       PRO  48  -3.764 -10.482   9.108
  480    QG   PRO  48           QG       PRO  48  -3.566  -9.006  10.864
  481    QD   PRO  48           QD       PRO  48  -5.313  -7.559  10.511
  482    H    HIS  49           HN       HIS  49  -3.682 -10.798   6.366
  483    HA   HIS  49           HA       HIS  49  -4.679 -11.938   4.568
  484   1HB   HIS  49           2HB      HIS  49  -7.043 -12.454   6.310
  485   2HB   HIS  49           3HB      HIS  49  -6.101 -13.572   5.365
  486    HD1  HIS  49           HD1      HIS  49  -3.350 -12.998   6.601
  487    HD2  HIS  49           HD2      HIS  49  -6.748 -13.566   8.875
  488    HE1  HIS  49           HE1      HIS  49  -2.586 -13.786   8.867
  489    QB   HIS  49           QB       HIS  49  -6.572 -13.013   5.838
  490    H    SER  50           HN       SER  50  -5.065  -9.411   4.054
  491    HA   SER  50           HA       SER  50  -7.830  -9.282   2.928
  492   1HB   SER  50           2HB      SER  50  -6.498  -6.920   4.320
  493   2HB   SER  50           3HB      SER  50  -8.125  -6.947   3.618
  494    HG   SER  50           HG       SER  50  -7.138  -8.043   5.947
  495    QB   SER  50           QB       SER  50  -7.311  -6.934   3.969
  496    H    THR  51           HN       THR  51  -7.738  -6.909   1.649
  497    HA   THR  51           HA       THR  51  -5.153  -6.804   0.221
  498    HB   THR  51           HB       THR  51  -6.360  -6.639  -1.964
  499    HG1  THR  51          1HG       THR  51  -8.703  -7.548  -1.287
  500   1HG2  THR  51           1HG      THR  51  -5.761  -8.974  -1.097
  501   2HG2  THR  51           2HG      THR  51  -7.375  -9.072  -0.410
  502   3HG2  THR  51           3HG      THR  51  -7.163  -8.955  -2.156
  503    QG2  THR  51           QG2      THR  51  -6.766  -9.000  -1.222
  504    H    VAL  52           HN       VAL  52  -4.560  -4.744  -0.322
  505    HA   VAL  52           HA       VAL  52  -6.567  -2.588   0.119
  506    HB   VAL  52           HB       VAL  52  -5.257  -2.514   2.116
  507   1HG1  VAL  52           1HG      VAL  52  -3.333  -3.893   1.322
  508   2HG1  VAL  52           2HG      VAL  52  -2.761  -2.509   0.398
  509   3HG1  VAL  52           3HG      VAL  52  -2.819  -2.431   2.150
  510   1HG2  VAL  52           1HG      VAL  52  -5.680  -0.330   1.028
  511   2HG2  VAL  52           2HG      VAL  52  -4.161  -0.312   1.916
  512   3HG2  VAL  52           3HG      VAL  52  -4.153  -0.462   0.165
  513    QG1  VAL  52           QG1      VAL  52  -2.971  -2.944   1.290
  514    QG2  VAL  52           QG2      VAL  52  -4.665  -0.368   1.036
  515    QQG  VAL  52           QQG      VAL  52  -3.818  -1.656   1.163
  516    H    ASP  53           HN       ASP  53  -6.812  -1.468  -1.671
  517    HA   ASP  53           HA       ASP  53  -4.635  -1.569  -3.723
  518   1HB   ASP  53           2HB      ASP  53  -7.592  -0.949  -4.069
  519   2HB   ASP  53           3HB      ASP  53  -6.412  -1.094  -5.358
  520    QB   ASP  53           QB       ASP  53  -7.002  -1.021  -4.714
  521    H    PHE  54           HN       PHE  54  -4.159   0.356  -4.928
  522    HA   PHE  54           HA       PHE  54  -5.242   2.877  -3.810
  523   1HB   PHE  54           2HB      PHE  54  -2.695   3.717  -3.918
  524   2HB   PHE  54           3HB      PHE  54  -3.393   3.023  -2.470
  525    HD1  PHE  54          2HD       PHE  54  -3.155   0.444  -2.198
  526    HD2  PHE  54          1HD       PHE  54  -0.687   2.737  -4.801
  527    HE1  PHE  54          2HE       PHE  54  -1.454  -1.302  -2.111
  528    HE2  PHE  54          1HE       PHE  54   1.045   0.995  -4.677
  529    HZ   PHE  54           HZ       PHE  54   0.667  -1.012  -3.301
  530    QB   PHE  54           QB       PHE  54  -3.044   3.369  -3.194
  531    QR   PHE  54           QR       PHE  54  -1.064   0.718  -3.447
  532    NH1  ARG  55           NH1      ARG  55   1.403   6.443  -6.266
  533    NH2  ARG  55           NH2      ARG  55   1.391   4.193  -6.638
  534    H    ARG  55           HN       ARG  55  -4.630   4.735  -4.841
  535    HA   ARG  55           HA       ARG  55  -5.438   5.455  -7.176
  536   1HB   ARG  55           2HB      ARG  55  -3.525   7.163  -7.303
  537   2HB   ARG  55           3HB      ARG  55  -4.485   7.075  -5.841
  538   1HG   ARG  55           2HG      ARG  55  -1.965   7.235  -5.470
  539   2HG   ARG  55           3HG      ARG  55  -2.777   5.928  -4.631
  540   1HD   ARG  55           2HD      ARG  55  -2.020   4.309  -6.288
  541   2HD   ARG  55           3HD      ARG  55  -1.350   5.590  -7.297
  542    HE   ARG  55           HE       ARG  55  -0.276   5.081  -4.545
  543   1HH1  ARG  55           2HH      ARG  55   0.930   7.260  -5.912
  544   2HH1  ARG  55           1HH      ARG  55   2.287   6.551  -6.705
  545   1HH2  ARG  55           2HH      ARG  55   0.931   3.318  -6.496
  546   2HH2  ARG  55           1HH      ARG  55   2.257   4.209  -7.157
  547    QB   ARG  55           QB       ARG  55  -4.006   7.119  -6.572
  548    QG   ARG  55           QG       ARG  55  -2.371   6.582  -5.051
  549    QD   ARG  55           QD       ARG  55  -1.685   4.950  -6.792
  550    QH1  ARG  55           QH1      ARG  55   1.609   6.906  -6.309
  551    QH2  ARG  55           QH2      ARG  55   1.595   3.763  -6.827
  552    H    VAL  56           HN       VAL  56  -4.758   6.174  -9.217
  553    HA   VAL  56           HA       VAL  56  -2.591   4.750 -10.548
  554    HB   VAL  56           HB       VAL  56  -4.105   4.570 -12.412
  555   1HG1  VAL  56           2HG      VAL  56  -4.157   2.789 -10.739
  556   2HG1  VAL  56           3HG      VAL  56  -5.452   3.612  -9.896
  557   3HG1  VAL  56           1HG      VAL  56  -5.719   2.971 -11.515
  558   1HG2  VAL  56           1HG      VAL  56  -6.179   5.890 -10.644
  559   2HG2  VAL  56           2HG      VAL  56  -5.467   6.605 -12.083
  560   3HG2  VAL  56           3HG      VAL  56  -6.503   5.196 -12.226
  561    QG1  VAL  56           QG1      VAL  56  -5.109   3.124 -10.716
  562    QG2  VAL  56           QG2      VAL  56  -6.049   5.897 -11.651
  563    QQG  VAL  56           QQG      VAL  56  -5.579   4.511 -11.184
  564    H    LYS  57           HN       LYS  57  -2.243   7.210  -9.400
  565    HA   LYS  57           HA       LYS  57  -2.650   9.301 -11.460
  566   1HB   LYS  57           2HB      LYS  57  -1.724   9.202  -8.625
  567   2HB   LYS  57           3HB      LYS  57  -1.181  10.557  -9.591
  568   1HG   LYS  57           2HG      LYS  57  -3.607  10.973 -10.207
  569   2HG   LYS  57           3HG      LYS  57  -4.047   9.770  -9.001
  570   1HD   LYS  57           2HD      LYS  57  -2.147  11.931  -8.140
  571   2HD   LYS  57           3HD      LYS  57  -3.816  12.406  -8.418
  572   1HE   LYS  57           2HE      LYS  57  -3.512  11.765  -6.074
  573   2HE   LYS  57           3HE      LYS  57  -4.589  10.633  -6.880
  574   1HZ   LYS  57           1HZ      LYS  57  -1.844   9.813  -7.045
  575   2HZ   LYS  57           2HZ      LYS  57  -2.366   9.989  -5.433
  576   3HZ   LYS  57           3HZ      LYS  57  -3.240   8.976  -6.452
  577    QB   LYS  57           QB       LYS  57  -1.452   9.880  -9.109
  578    QG   LYS  57           QG       LYS  57  -3.827  10.372  -9.604
  579    QD   LYS  57           QD       LYS  57  -2.981  12.168  -8.279
  580    QE   LYS  57           QE       LYS  57  -4.051  11.199  -6.477
  581    QZ   LYS  57           QZ       LYS  57  -2.483   9.593  -6.309
  582    H    ALA  58           HN       ALA  58  -0.362  10.798 -11.213
  583    HA   ALA  58           HA       ALA  58   1.825   8.964 -12.124
  584   1HB   ALA  58           2HB      ALA  58   1.055  11.661 -13.297
  585   2HB   ALA  58           3HB      ALA  58   2.423  10.678 -13.810
  586   3HB   ALA  58           1HB      ALA  58   0.781  10.094 -14.052
  587    QB   ALA  58           QB       ALA  58   1.420  10.811 -13.720
  588    H    GLU  59           HN       GLU  59   1.181  12.310 -11.213
  589    HA   GLU  59           HA       GLU  59   3.678  13.181 -10.435
  590   1HB   GLU  59           2HB      GLU  59   1.458  13.938  -8.589
  591   2HB   GLU  59           3HB      GLU  59   2.630  14.959  -9.407
  592   1HG   GLU  59           2HG      GLU  59   0.704  15.506 -10.599
  593   2HG   GLU  59           3HG      GLU  59   1.298  14.177 -11.589
  594    QB   GLU  59           QB       GLU  59   2.044  14.449  -8.998
  595    QG   GLU  59           QG       GLU  59   1.001  14.841 -11.095
  596    H    ASP  60           HN       ASP  60   1.549  11.072  -8.524
  597    HA   ASP  60           HA       ASP  60   3.637  11.094  -6.365
  598   1HB   ASP  60           2HB      ASP  60   1.866  10.146  -4.915
  599   2HB   ASP  60           3HB      ASP  60   1.327  11.649  -5.648
  600    QB   ASP  60           QB       ASP  60   1.596  10.898  -5.282
  601    H    ILE  61           HN       ILE  61   3.843   9.483  -8.867
  602    HA   ILE  61           HA       ILE  61   3.724   6.709  -7.683
  603    HB   ILE  61           HB       ILE  61   4.281   7.364 -10.586
  604   1HG1  ILE  61           2HG      ILE  61   2.223   8.511 -10.186
  605   2HG1  ILE  61           3HG      ILE  61   1.847   7.028 -11.026
  606   1HG2  ILE  61           2HG      ILE  61   3.031   4.964  -9.215
  607   2HG2  ILE  61           3HG      ILE  61   3.152   5.180 -10.951
  608   3HG2  ILE  61           1HG      ILE  61   4.604   5.017 -10.000
  609   1HD1  ILE  61           1HD      ILE  61   1.256   6.019  -8.795
  610   2HD1  ILE  61           2HD      ILE  61   1.518   7.609  -8.080
  611   3HD1  ILE  61           3HD      ILE  61   0.240   7.379  -9.245
  612    QG1  ILE  61           QG1      ILE  61   2.036   7.770 -10.606
  613    QG2  ILE  61           QG2      ILE  61   3.596   5.054 -10.055
  614    QD1  ILE  61           QD1      ILE  61   1.005   7.002  -8.706
  615    H    LEU  62           HN       LEU  62   5.448   5.287  -8.637
  616    HA   LEU  62           HA       LEU  62   7.680   4.763  -9.162
  617   1HB   LEU  62           2HB      LEU  62   7.878   7.252  -9.944
  618   2HB   LEU  62           3HB      LEU  62   8.513   7.558  -8.339
  619    HG   LEU  62           HG       LEU  62   9.677   5.454 -10.187
  620   1HD1  LEU  62           3HD      LEU  62  10.541   8.337  -9.728
  621   2HD1  LEU  62           1HD      LEU  62  11.437   7.142 -10.662
  622   3HD1  LEU  62           2HD      LEU  62   9.861   7.696 -11.221
  623   1HD2  LEU  62           3HD      LEU  62  10.727   6.853  -7.691
  624   2HD2  LEU  62           1HD      LEU  62  10.201   5.175  -7.784
  625   3HD2  LEU  62           2HD      LEU  62  11.630   5.692  -8.660
  626    QB   LEU  62           QB       LEU  62   8.196   7.406  -9.142
  627    QD1  LEU  62           QD1      LEU  62  10.613   7.725 -10.537
  628    QD2  LEU  62           QD2      LEU  62  10.853   5.907  -8.045
  629    QQD  LEU  62           QQD      LEU  62  10.733   6.816  -9.292
  630    H    ALA  63           HN       ALA  63   7.271   7.097  -6.562
  631    HA   ALA  63           HA       ALA  63   8.979   5.531  -4.760
  632   1HB   ALA  63           3HB      ALA  63   7.331   8.042  -4.276
  633   2HB   ALA  63           1HB      ALA  63   8.502   7.372  -3.147
  634   3HB   ALA  63           2HB      ALA  63   9.039   8.004  -4.703
  635    QB   ALA  63           QB       ALA  63   8.291   7.806  -4.042
  636    H    VAL  64           HN       VAL  64   6.576   4.364  -5.756
  637    HA   VAL  64           HA       VAL  64   5.415   3.541  -3.148
  638    HB   VAL  64           HB       VAL  64   3.802   3.915  -5.700
  639   1HG1  VAL  64           2HG      VAL  64   3.008   3.101  -2.871
  640   2HG1  VAL  64           3HG      VAL  64   1.885   3.366  -4.199
  641   3HG1  VAL  64           1HG      VAL  64   3.032   2.036  -4.274
  642   1HG2  VAL  64           2HG      VAL  64   3.871   5.481  -3.102
  643   2HG2  VAL  64           3HG      VAL  64   4.371   6.078  -4.681
  644   3HG2  VAL  64           1HG      VAL  64   2.675   5.723  -4.368
  645    QG1  VAL  64           QG1      VAL  64   2.642   2.834  -3.781
  646    QG2  VAL  64           QG2      VAL  64   3.639   5.761  -4.050
  647    QQG  VAL  64           QQG      VAL  64   3.140   4.297  -3.916
  648    H    GLU  65           HN       GLU  65   5.963   2.896  -6.580
  649    HA   GLU  65           HA       GLU  65   5.577   0.002  -6.265
  650   1HB   GLU  65           2HB      GLU  65   6.948   1.539  -8.522
  651   2HB   GLU  65           3HB      GLU  65   6.430  -0.141  -8.591
  652   1HG   GLU  65           2HG      GLU  65   4.710   1.135  -9.671
  653   2HG   GLU  65           3HG      GLU  65   4.078   0.691  -8.085
  654    QB   GLU  65           QB       GLU  65   6.689   0.699  -8.556
  655    QG   GLU  65           QG       GLU  65   4.394   0.913  -8.878
  656    H    ASP  66           HN       ASP  66   8.234   2.324  -6.389
  657    HA   ASP  66           HA       ASP  66  10.404   0.494  -6.254
  658   1HB   ASP  66           2HB      ASP  66   9.925   3.334  -5.875
  659   2HB   ASP  66           3HB      ASP  66  10.993   2.754  -4.631
  660    QB   ASP  66           QB       ASP  66  10.459   3.044  -5.253
  661    H    PHE  67           HN       PHE  67   8.616   2.180  -3.780
  662    HA   PHE  67           HA       PHE  67   9.796   1.087  -1.469
  663   1HB   PHE  67           2HB      PHE  67   8.180   2.980  -1.458
  664   2HB   PHE  67           3HB      PHE  67   6.882   1.873  -1.885
  665    HD1  PHE  67          1HD       PHE  67   6.250   0.024  -0.268
  666    HD2  PHE  67          2HD       PHE  67   8.946   3.143   0.841
  667    HE1  PHE  67          1HE       PHE  67   5.952  -0.552   2.092
  668    HE2  PHE  67          2HE       PHE  67   8.598   2.582   3.213
  669    HZ   PHE  67           HZ       PHE  67   7.094   0.731   3.833
  670    QB   PHE  67           QB       PHE  67   7.531   2.427  -1.672
  671    QR   PHE  67           QR       PHE  67   7.437   1.299   1.469
  672    H    LEU  68           HN       LEU  68   6.862  -0.033  -3.145
  673    HA   LEU  68           HA       LEU  68   6.508  -2.356  -1.487
  674   1HB   LEU  68           2HB      LEU  68   5.571  -1.774  -4.320
  675   2HB   LEU  68           3HB      LEU  68   4.986  -3.107  -3.333
  676    HG   LEU  68           HG       LEU  68   4.891  -0.259  -2.303
  677   1HD1  LEU  68           3HD      LEU  68   3.694  -0.315  -4.478
  678   2HD1  LEU  68           1HD      LEU  68   2.742  -1.686  -3.913
  679   3HD1  LEU  68           2HD      LEU  68   2.578  -0.114  -3.132
  680   1HD2  LEU  68           1HD      LEU  68   4.551  -2.132  -0.704
  681   2HD2  LEU  68           2HD      LEU  68   3.070  -1.210  -0.916
  682   3HD2  LEU  68           3HD      LEU  68   3.258  -2.765  -1.715
  683    QB   LEU  68           QB       LEU  68   5.279  -2.440  -3.826
  684    QD1  LEU  68           QD1      LEU  68   3.005  -0.705  -3.841
  685    QD2  LEU  68           QD2      LEU  68   3.626  -2.035  -1.111
  686    QQD  LEU  68           QQD      LEU  68   3.316  -1.370  -2.476
  687    H    GLU  69           HN       GLU  69   8.504  -1.774  -4.251
  688    HA   GLU  69           HA       GLU  69   8.960  -4.621  -4.793
  689   1HB   GLU  69           2HB      GLU  69   8.922  -2.823  -6.560
  690   2HB   GLU  69           3HB      GLU  69  10.380  -2.162  -5.852
  691   1HG   GLU  69           2HG      GLU  69  10.946  -4.901  -6.187
  692   2HG   GLU  69           3HG      GLU  69  10.097  -4.434  -7.653
  693    QB   GLU  69           QB       GLU  69   9.651  -2.493  -6.207
  694    QG   GLU  69           QG       GLU  69  10.521  -4.667  -6.920
  695    H    GLN  70           HN       GLN  70  11.100  -1.922  -3.870
  696    HA   GLN  70           HA       GLN  70  13.395  -3.396  -3.331
  697   1HB   GLN  70           2HB      GLN  70  12.407  -0.939  -1.839
  698   2HB   GLN  70           3HB      GLN  70  14.049  -1.562  -1.762
  699   1HG   GLN  70           2HG      GLN  70  12.625  -0.369  -4.167
  700   2HG   GLN  70           3HG      GLN  70  14.118   0.173  -3.417
  701   1HE2  GLN  70           2HE      GLN  70  14.291  -2.464  -6.406
  702   2HE2  GLN  70           1HE      GLN  70  12.929  -1.525  -6.039
  703    QB   GLN  70           QB       GLN  70  13.228  -1.250  -1.800
  704    QG   GLN  70           QG       GLN  70  13.372  -0.098  -3.792
  705    QE2  GLN  70           QE2      GLN  70  13.610  -1.995  -6.222
  706    H    ASN  71           HN       ASN  71  10.521  -3.169  -1.268
  707    HA   ASN  71           HA       ASN  71  11.927  -4.926   0.676
  708   1HB   ASN  71           2HB      ASN  71  10.206  -4.318   2.255
  709   2HB   ASN  71           3HB      ASN  71  11.043  -2.896   1.683
  710   1HD2  ASN  71           2HD      ASN  71   7.912  -1.586   1.021
  711   2HD2  ASN  71           1HD      ASN  71   9.292  -1.467   1.973
  712    QB   ASN  71           QB       ASN  71  10.625  -3.606   1.969
  713    QD2  ASN  71           QD2      ASN  71   8.602  -1.527   1.497
  714    H    GLU  72           HN       GLU  72  10.767  -5.631  -1.888
  715    HA   GLU  72           HA       GLU  72   8.935  -6.845  -2.857
  716   1HB   GLU  72           2HB      GLU  72  10.618  -8.582  -1.053
  717   2HB   GLU  72           3HB      GLU  72   9.419  -9.268  -2.142
  718   1HG   GLU  72           2HG      GLU  72  10.529  -8.265  -4.080
  719   2HG   GLU  72           3HG      GLU  72  11.655  -7.402  -3.035
  720    QB   GLU  72           QB       GLU  72  10.018  -8.925  -1.597
  721    QG   GLU  72           QG       GLU  72  11.092  -7.833  -3.557
  722    H    LEU  73           HN       LEU  73   7.594  -5.432  -1.195
  723    HA   LEU  73           HA       LEU  73   6.303  -6.810   0.918
  724   1HB   LEU  73           2HB      LEU  73   6.164  -4.225  -0.105
  725   2HB   LEU  73           3HB      LEU  73   4.605  -4.883  -0.574
  726    HG   LEU  73           HG       LEU  73   4.312  -5.664   1.817
  727   1HD1  LEU  73           3HD      LEU  73   6.753  -5.609   2.402
  728   2HD1  LEU  73           1HD      LEU  73   6.705  -3.855   2.313
  729   3HD1  LEU  73           2HD      LEU  73   5.768  -4.707   3.534
  730   1HD2  LEU  73           2HD      LEU  73   3.253  -3.592   0.980
  731   2HD2  LEU  73           3HD      LEU  73   3.719  -3.436   2.670
  732   3HD2  LEU  73           1HD      LEU  73   4.702  -2.687   1.416
  733    QB   LEU  73           QB       LEU  73   5.385  -4.554  -0.339
  734    QD1  LEU  73           QD1      LEU  73   6.408  -4.724   2.750
  735    QD2  LEU  73           QD2      LEU  73   3.892  -3.238   1.688
  736    QQD  LEU  73           QQD      LEU  73   5.150  -3.981   2.220
  737    H    GLN  74           HN       GLN  74   3.959  -7.274   0.791
  738    HA   GLN  74           HA       GLN  74   3.605  -9.284  -1.282
  739   1HB   GLN  74           2HB      GLN  74   1.348  -9.544   0.073
  740   2HB   GLN  74           3HB      GLN  74   2.864 -10.154   0.709
  741   1HG   GLN  74           2HG      GLN  74   2.057  -7.330   1.340
  742   2HG   GLN  74           3HG      GLN  74   1.281  -8.650   2.193
  743   1HE2  GLN  74           2HE      GLN  74   4.149  -9.447   4.132
  744   2HE2  GLN  74           1HE      GLN  74   2.644  -9.998   3.601
  745    QB   GLN  74           QB       GLN  74   2.106  -9.849   0.390
  746    QG   GLN  74           QG       GLN  74   1.670  -7.990   1.767
  747    QE2  GLN  74           QE2      GLN  74   3.396  -9.722   3.866
  748    OH   TYR  75           OH       TYR  75   7.425  -5.262  -6.815
  749    H    TYR  75           HN       TYR  75   3.675  -7.367  -2.872
  750    HA   TYR  75           HA       TYR  75   0.896  -6.300  -3.230
  751   1HB   TYR  75           2HB      TYR  75   1.826  -4.425  -4.438
  752   2HB   TYR  75           3HB      TYR  75   2.723  -4.589  -2.942
  753    HD1  TYR  75           HD1      TYR  75   5.010  -5.783  -3.029
  754    HD2  TYR  75           HD2      TYR  75   2.966  -4.484  -6.530
  755    HE1  TYR  75           HE1      TYR  75   7.098  -5.924  -4.291
  756    HE2  TYR  75           HE2      TYR  75   5.084  -4.550  -7.771
  757    HH   TYR  75           HH       TYR  75   7.879  -4.425  -6.669
  758    QB   TYR  75           QB       TYR  75   2.274  -4.507  -3.689
  759    QR   TYR  75           QR       TYR  75   5.040  -5.185  -5.405
  760    H    GLU  76           HN       GLU  76   0.041  -6.102  -5.324
  761    HA   GLU  76           HA       GLU  76   1.053  -8.103  -7.313
  762   1HB   GLU  76           2HB      GLU  76  -1.069  -8.856  -6.409
  763   2HB   GLU  76           3HB      GLU  76  -1.743  -7.243  -6.473
  764   1HG   GLU  76           2HG      GLU  76  -1.645  -7.341  -8.984
  765   2HG   GLU  76           3HG      GLU  76  -1.111  -9.016  -8.851
  766    QB   GLU  76           QB       GLU  76  -1.407  -8.049  -6.441
  767    QG   GLU  76           QG       GLU  76  -1.378  -8.179  -8.917
  768    H    VAL  77           HN       VAL  77   1.002  -7.342  -9.540
  769    HA   VAL  77           HA       VAL  77   0.605  -4.381  -9.822
  770    HB   VAL  77           HB       VAL  77   2.491  -6.059 -11.519
  771   1HG1  VAL  77           2HG      VAL  77   2.333  -3.086 -10.893
  772   2HG1  VAL  77           3HG      VAL  77   3.540  -3.841 -11.929
  773   3HG1  VAL  77           1HG      VAL  77   1.844  -3.847 -12.405
  774   1HG2  VAL  77           3HG      VAL  77   3.163  -4.533  -8.973
  775   2HG2  VAL  77           1HG      VAL  77   3.216  -6.280  -9.163
  776   3HG2  VAL  77           2HG      VAL  77   4.342  -5.264 -10.059
  777    QG1  VAL  77           QG1      VAL  77   2.572  -3.591 -11.743
  778    QG2  VAL  77           QG2      VAL  77   3.574  -5.359  -9.399
  779    QQG  VAL  77           QQG      VAL  77   3.073  -4.475 -10.571
  780    H    LEU  78           HN       LEU  78  -0.343  -3.684 -11.911
  781    HA   LEU  78           HA       LEU  78  -1.631  -5.843 -13.390
  782   1HB   LEU  78           2HB      LEU  78  -2.704  -3.208 -12.295
  783   2HB   LEU  78           3HB      LEU  78  -3.539  -4.076 -13.576
  784    HG   LEU  78           HG       LEU  78  -2.771  -5.541 -11.051
  785   1HD1  LEU  78           1HD      LEU  78  -5.270  -3.850 -11.456
  786   2HD1  LEU  78           2HD      LEU  78  -5.010  -4.971 -10.123
  787   3HD1  LEU  78           3HD      LEU  78  -3.996  -3.544 -10.276
  788   1HD2  LEU  78           3HD      LEU  78  -5.038  -5.809 -13.069
  789   2HD2  LEU  78           1HD      LEU  78  -3.603  -6.825 -12.993
  790   3HD2  LEU  78           2HD      LEU  78  -4.781  -6.866 -11.685
  791    QB   LEU  78           QB       LEU  78  -3.122  -3.642 -12.935
  792    QD1  LEU  78           QD1      LEU  78  -4.759  -4.122 -10.618
  793    QD2  LEU  78           QD2      LEU  78  -4.474  -6.500 -12.583
  794    QQD  LEU  78           QQD      LEU  78  -4.617  -5.311 -11.601
  795    H    ILE  79           HN       ILE  79  -2.716  -4.433 -15.011
  796    HA   ILE  79           HA       ILE  79  -2.691  -3.651 -17.121
  797    HB   ILE  79           HB       ILE  79  -0.582  -1.864 -16.117
  798   1HG1  ILE  79           2HG      ILE  79  -2.441  -1.509 -14.701
  799   2HG1  ILE  79           3HG      ILE  79  -2.510  -0.214 -15.876
  800   1HG2  ILE  79           1HG      ILE  79  -2.444  -1.560 -18.514
  801   2HG2  ILE  79           2HG      ILE  79  -1.341  -0.310 -17.948
  802   3HG2  ILE  79           3HG      ILE  79  -0.706  -1.821 -18.589
  803   1HD1  ILE  79           2HD      ILE  79  -4.202  -1.503 -17.185
  804   2HD1  ILE  79           3HD      ILE  79  -4.175  -2.753 -15.947
  805   3HD1  ILE  79           1HD      ILE  79  -4.745  -1.140 -15.553
  806    QG1  ILE  79           QG1      ILE  79  -2.475  -0.862 -15.289
  807    QG2  ILE  79           QG2      ILE  79  -1.497  -1.230 -18.350
  808    QD1  ILE  79           QD1      ILE  79  -4.374  -1.798 -16.228
  809    H    ASN  80           HN       ASN  80   0.237  -3.954 -16.140
  810    HA   ASN  80           HA       ASN  80   1.604  -4.457 -18.644
  811   1HB   ASN  80           2HB      ASN  80   2.852  -3.677 -16.623
  812   2HB   ASN  80           3HB      ASN  80   2.547  -5.229 -15.852
  813   1HD2  ASN  80           2HD      ASN  80   5.619  -4.904 -18.411
  814   2HD2  ASN  80           1HD      ASN  80   4.748  -3.562 -17.849
  815    QB   ASN  80           QB       ASN  80   2.700  -4.453 -16.236
  816    QD2  ASN  80           QD2      ASN  80   5.184  -4.233 -18.130
  817    H    ASN  81           HN       ASN  81   0.574  -6.585 -16.009
  818    HA   ASN  81           HA       ASN  81   0.586  -8.855 -17.944
  819   1HB   ASN  81           2HB      ASN  81   1.244 -10.329 -16.029
  820   2HB   ASN  81           3HB      ASN  81   2.478  -9.150 -16.443
  821   1HD2  ASN  81                 ASN  81   0.348  -8.049 -13.113
  822   2HD2  ASN  81           1HD      ASN  81  -0.493  -8.463 -14.529
  823    QB   ASN  81           QB       ASN  81   1.861  -9.739 -16.236
  824    QD2  ASN  81           QD2      ASN  81  -0.073  -8.256 -13.822
   
  Start of MODEL          13
 Raw file had 824 H/Q atoms
  Start of MODEL   13
    1   1H    HIS   1           HN1      HIS   1   7.488  14.847 -20.584
    2   2H    HIS   1           HN2      HIS   1   7.951  13.262 -20.462
    3   3H    HIS   1           HN3      HIS   1   6.952  13.923 -19.319
    4    HA   HIS   1           HA       HIS   1   8.656  14.501 -18.091
    5   1HB   HIS   1           2HB      HIS   1  10.645  13.895 -20.244
    6   2HB   HIS   1           3HB      HIS   1  10.745  13.571 -18.538
    7    HD1  HIS   1           HD1      HIS   1   8.896  11.647 -17.793
    8    HD2  HIS   1           HD2      HIS   1  10.194  11.568 -21.708
    9    HE1  HIS   1           HE1      HIS   1   8.262   9.393 -18.728
   10    QB   HIS   1           QB       HIS   1  10.695  13.733 -19.391
   11    H    HIS   2           HN       HIS   2   7.526  16.670 -19.113
   12    HA   HIS   2           HA       HIS   2   9.776  18.331 -20.218
   13   1HB   HIS   2           2HB      HIS   2   8.252  19.638 -21.391
   14   2HB   HIS   2           3HB      HIS   2   7.639  18.027 -21.605
   15    HD1  HIS   2           HD1      HIS   2   6.973  21.050 -19.547
   16    HD2  HIS   2           HD2      HIS   2   4.935  17.726 -20.850
   17    HE1  HIS   2           HE1      HIS   2   4.561  21.386 -18.891
   18    QB   HIS   2           QB       HIS   2   7.945  18.833 -21.498
   19    H    SER   3           HN       SER   3   6.960  18.350 -18.096
   20    HA   SER   3           HA       SER   3   8.440  20.212 -16.281
   21   1HB   SER   3           2HB      SER   3   6.581  21.412 -17.466
   22   2HB   SER   3           3HB      SER   3   5.432  20.236 -16.801
   23    HG   SER   3           HG       SER   3   6.177  20.795 -14.720
   24    QB   SER   3           QB       SER   3   6.006  20.824 -17.134
   25    H    GLY   4           HN       GLY   4   8.227  17.275 -16.355
   26   1HA   GLY   4           1HA      GLY   4   8.412  16.034 -14.202
   27   2HA   GLY   4           2HA      GLY   4   6.995  16.909 -13.649
   28    QA   GLY   4           QA       GLY   4   7.703  16.471 -13.926
   29    H    GLU   5           HN       GLU   5   5.437  16.580 -16.048
   30    HA   GLU   5           HA       GLU   5   4.157  14.126 -15.381
   31   1HB   GLU   5           2HB      GLU   5   2.641  14.621 -17.081
   32   2HB   GLU   5           3HB      GLU   5   3.266  16.205 -16.679
   33   1HG   GLU   5           2HG      GLU   5   3.965  14.496 -19.079
   34   2HG   GLU   5           3HG      GLU   5   3.196  16.070 -19.069
   35    QB   GLU   5           QB       GLU   5   2.953  15.413 -16.880
   36    QG   GLU   5           QG       GLU   5   3.581  15.284 -19.075
   37    H    HIS   6           HN       HIS   6   3.954  12.187 -16.643
   38    HA   HIS   6           HA       HIS   6   6.252  11.613 -18.443
   39   1HB   HIS   6           2HB      HIS   6   5.487  10.214 -15.891
   40   2HB   HIS   6           3HB      HIS   6   6.199   9.287 -17.181
   41    HD1  HIS   6           HD1      HIS   6   7.142  12.698 -15.902
   42    HD2  HIS   6           HD2      HIS   6   8.873   8.978 -16.356
   43    HE1  HIS   6           HE1      HIS   6   9.563  12.952 -15.291
   44    QB   HIS   6           QB       HIS   6   5.844   9.751 -16.536
   45    H    PHE   7           HN       PHE   7   5.811   9.352 -19.450
   46    HA   PHE   7           HA       PHE   7   3.066   9.509 -20.505
   47   1HB   PHE   7           2HB      PHE   7   5.327   7.611 -21.237
   48   2HB   PHE   7           3HB      PHE   7   3.868   7.914 -22.179
   49    HD1  PHE   7          1HD       PHE   7   3.427  10.608 -22.499
   50    HD2  PHE   7          2HD       PHE   7   7.241   8.773 -21.991
   51    HE1  PHE   7          1HE       PHE   7   4.504  12.575 -23.481
   52    HE2  PHE   7          2HE       PHE   7   8.312  10.745 -22.981
   53    HZ   PHE   7           HZ       PHE   7   6.947  12.653 -23.723
   54    QB   PHE   7           QB       PHE   7   4.598   7.763 -21.708
   55    QR   PHE   7           QR       PHE   7   5.871  10.675 -22.738
   56    H    GLU   8           HN       GLU   8   2.626   8.960 -18.065
   57    HA   GLU   8           HA       GLU   8   2.108   6.013 -17.935
   58   1HB   GLU   8           2HB      GLU   8   3.864   6.589 -16.302
   59   2HB   GLU   8           3HB      GLU   8   2.861   7.875 -15.645
   60   1HG   GLU   8           2HG      GLU   8   2.659   5.905 -14.207
   61   2HG   GLU   8           3HG      GLU   8   1.129   6.128 -15.044
   62    QB   GLU   8           QB       GLU   8   3.362   7.232 -15.973
   63    QG   GLU   8           QG       GLU   8   1.894   6.016 -14.625
   64    H    GLY   9           HN       GLY   9   0.053   5.449 -17.184
   65   1HA   GLY   9           1HA      GLY   9  -1.832   7.756 -16.765
   66   2HA   GLY   9           2HA      GLY   9  -2.258   6.386 -17.771
   67    QA   GLY   9           QA       GLY   9  -2.045   7.071 -17.269
   68    H    GLU  10           HN       GLU  10  -2.268   4.217 -16.605
   69    HA   GLU  10           HA       GLU  10  -3.419   4.663 -13.893
   70   1HB   GLU  10           2HB      GLU  10  -4.330   2.198 -14.503
   71   2HB   GLU  10           3HB      GLU  10  -5.166   3.670 -14.961
   72   1HG   GLU  10           2HG      GLU  10  -3.112   2.402 -16.791
   73   2HG   GLU  10           3HG      GLU  10  -4.797   1.900 -16.807
   74    QB   GLU  10           QB       GLU  10  -4.748   2.933 -14.733
   75    QG   GLU  10           QG       GLU  10  -3.955   2.151 -16.800
   76    H    LYS  11           HN       LYS  11  -1.932   4.332 -12.381
   77    HA   LYS  11           HA       LYS  11  -0.308   1.805 -12.482
   78   1HB   LYS  11           2HB      LYS  11   0.155   4.467 -11.695
   79   2HB   LYS  11           3HB      LYS  11   0.953   3.335 -10.687
   80   1HG   LYS  11           2HG      LYS  11   1.220   3.293 -13.719
   81   2HG   LYS  11           3HG      LYS  11   2.350   4.184 -12.706
   82   1HD   LYS  11           2HD      LYS  11   2.762   2.035 -11.415
   83   2HD   LYS  11           3HD      LYS  11   1.745   1.198 -12.576
   84   1HE   LYS  11           2HE      LYS  11   4.121   0.937 -13.136
   85   2HE   LYS  11           3HE      LYS  11   3.284   1.838 -14.391
   86   1HZ   LYS  11           1HZ      LYS  11   4.224   3.652 -12.474
   87   2HZ   LYS  11           2HZ      LYS  11   5.494   2.607 -12.829
   88   3HZ   LYS  11           3HZ      LYS  11   4.714   3.481 -14.103
   89    QB   LYS  11           QB       LYS  11   0.555   3.901 -11.191
   90    QG   LYS  11           QG       LYS  11   1.784   3.738 -13.212
   91    QD   LYS  11           QD       LYS  11   2.254   1.617 -11.996
   92    QE   LYS  11           QE       LYS  11   3.703   1.387 -13.764
   93    QZ   LYS  11           QZ       LYS  11   4.811   3.246 -13.136
   94    H    VAL  12           HN       VAL  12  -1.663   0.899 -11.608
   95    HA   VAL  12           HA       VAL  12  -2.462   1.343  -8.770
   96    HB   VAL  12           HB       VAL  12  -4.222   1.155 -10.816
   97   1HG1  VAL  12           1HG      VAL  12  -3.629  -1.198 -11.344
   98   2HG1  VAL  12           2HG      VAL  12  -4.087  -1.679  -9.712
   99   3HG1  VAL  12           3HG      VAL  12  -5.301  -1.043 -10.819
  100   1HG2  VAL  12           1HG      VAL  12  -4.714   1.811  -8.496
  101   2HG2  VAL  12           2HG      VAL  12  -5.919   0.670  -9.080
  102   3HG2  VAL  12           3HG      VAL  12  -4.650   0.126  -7.992
  103    QG1  VAL  12           QG1      VAL  12  -4.339  -1.306 -10.625
  104    QG2  VAL  12           QG2      VAL  12  -5.094   0.869  -8.523
  105    QQG  VAL  12           QQG      VAL  12  -4.717  -0.218  -9.574
  106    H    PHE  13           HN       PHE  13  -2.310  -0.244  -7.331
  107    HA   PHE  13           HA       PHE  13  -1.312  -2.904  -8.082
  108   1HB   PHE  13           2HB      PHE  13   0.096  -1.640  -5.776
  109   2HB   PHE  13           3HB      PHE  13   0.731  -2.736  -6.994
  110    HD1  PHE  13          1HD       PHE  13  -0.433   0.784  -6.552
  111    HD2  PHE  13          2HD       PHE  13   2.065  -1.877  -8.741
  112    HE1  PHE  13          1HE       PHE  13   0.431   2.673  -7.856
  113    HE2  PHE  13          2HE       PHE  13   2.972   0.015 -10.006
  114    HZ   PHE  13           HZ       PHE  13   2.167   2.291  -9.545
  115    QB   PHE  13           QB       PHE  13   0.413  -2.188  -6.385
  116    QR   PHE  13           QR       PHE  13   1.259   0.399  -8.289
  117    NH1  ARG  14           NH2      ARG  14  -4.579  -8.199  -6.379
  118    NH2  ARG  14           NH1      ARG  14  -5.051  -8.345  -8.592
  119    H    ARG  14           HN       ARG  14  -1.800  -4.399  -6.374
  120    HA   ARG  14           HA       ARG  14  -3.524  -3.233  -4.229
  121   1HB   ARG  14           2HB      ARG  14  -3.657  -5.930  -5.655
  122   2HB   ARG  14           3HB      ARG  14  -4.664  -5.481  -4.295
  123   1HG   ARG  14           2HG      ARG  14  -5.841  -3.853  -5.546
  124   2HG   ARG  14           3HG      ARG  14  -4.607  -3.799  -6.800
  125   1HD   ARG  14           2HD      ARG  14  -6.418  -6.178  -6.191
  126   2HD   ARG  14           3HD      ARG  14  -6.570  -5.095  -7.576
  127    HE   ARG  14           HE       ARG  14  -4.214  -5.896  -8.216
  128   1HH1  ARG  14           2HH      ARG  14  -4.431  -7.636  -5.578
  129   2HH1  ARG  14           1HH      ARG  14  -4.488  -9.205  -6.304
  130   1HH2  ARG  14           2HH      ARG  14  -5.230  -7.890  -9.468
  131   2HH2  ARG  14           1HH      ARG  14  -5.006  -9.354  -8.561
  132    QB   ARG  14           QB       ARG  14  -4.160  -5.705  -4.975
  133    QG   ARG  14           QG       ARG  14  -5.223  -3.826  -6.173
  134    QD   ARG  14           QD       ARG  14  -6.494  -5.637  -6.883
  135    QH1  ARG  14           QH2      ARG  14  -4.459  -8.421  -5.941
  136    QH2  ARG  14           QH1      ARG  14  -5.118  -8.622  -9.015
  137    H    VAL  15           HN       VAL  15  -2.469  -3.512  -2.289
  138    HA   VAL  15           HA       VAL  15  -0.272  -5.460  -2.136
  139    HB   VAL  15           HB       VAL  15  -1.562  -3.625  -0.061
  140   1HG1  VAL  15           1HG      VAL  15   0.946  -5.349   0.159
  141   2HG1  VAL  15           2HG      VAL  15   0.412  -4.176   1.360
  142   3HG1  VAL  15           3HG      VAL  15  -0.554  -5.610   1.045
  143   1HG2  VAL  15           2HG      VAL  15  -0.312  -2.515  -1.890
  144   2HG2  VAL  15           3HG      VAL  15   0.528  -2.329  -0.351
  145   3HG2  VAL  15           1HG      VAL  15   1.091  -3.511  -1.532
  146    QG1  VAL  15           QG1      VAL  15   0.268  -5.045   0.855
  147    QG2  VAL  15           QG2      VAL  15   0.436  -2.785  -1.258
  148    QQG  VAL  15           QQG      VAL  15   0.352  -3.915  -0.201
  149    H    ASN  16           HN       ASN  16  -0.565  -7.545  -1.493
  150    HA   ASN  16           HA       ASN  16  -3.277  -8.310  -0.558
  151   1HB   ASN  16           2HB      ASN  16  -1.158  -9.610  -2.114
  152   2HB   ASN  16           3HB      ASN  16  -1.781 -10.656  -0.850
  153   1HD2  ASN  16           2HD      ASN  16  -4.707 -11.352  -2.628
  154   2HD2  ASN  16           1HD      ASN  16  -3.702 -11.716  -1.307
  155    QB   ASN  16           QB       ASN  16  -1.469 -10.133  -1.482
  156    QD2  ASN  16           QD2      ASN  16  -4.205 -11.534  -1.967
  157    H    VAL  17           HN       VAL  17  -2.511  -7.051   1.329
  158    HA   VAL  17           HA       VAL  17  -0.585  -7.473   3.172
  159    HB   VAL  17           HB       VAL  17  -2.438  -5.943   3.575
  160   1HG1  VAL  17           3HG      VAL  17  -4.249  -7.399   2.731
  161   2HG1  VAL  17           1HG      VAL  17  -4.115  -8.390   4.179
  162   3HG1  VAL  17           2HG      VAL  17  -4.626  -6.712   4.300
  163   1HG2  VAL  17           2HG      VAL  17  -2.194  -8.028   5.771
  164   2HG2  VAL  17           3HG      VAL  17  -1.155  -6.624   5.546
  165   3HG2  VAL  17           1HG      VAL  17  -2.842  -6.407   5.985
  166    QG1  VAL  17           QG1      VAL  17  -4.330  -7.500   3.736
  167    QG2  VAL  17           QG2      VAL  17  -2.063  -7.020   5.767
  168    QQG  VAL  17           QQG      VAL  17  -3.197  -7.260   4.752
  169    H    GLU  18           HN       GLU  18   0.308  -9.072   4.233
  170    HA   GLU  18           HA       GLU  18  -1.019 -11.693   4.243
  171   1HB   GLU  18           2HB      GLU  18   1.796 -10.831   5.014
  172   2HB   GLU  18           3HB      GLU  18   1.225 -12.485   4.919
  173   1HG   GLU  18           2HG      GLU  18   0.514 -11.844   2.464
  174   2HG   GLU  18           3HG      GLU  18   1.648 -10.518   2.670
  175    QB   GLU  18           QB       GLU  18   1.510 -11.657   4.966
  176    QG   GLU  18           QG       GLU  18   1.081 -11.182   2.567
  177    H    ASP  19           HN       ASP  19   0.717  -9.638   6.588
  178    HA   ASP  19           HA       ASP  19  -1.215 -10.416   8.682
  179   1HB   ASP  19           2HB      ASP  19   1.739 -11.007   8.799
  180   2HB   ASP  19           3HB      ASP  19   0.848 -10.712  10.267
  181    QB   ASP  19           QB       ASP  19   1.293 -10.859   9.533
  182    H    GLU  20           HN       GLU  20   0.093  -9.272  10.792
  183    HA   GLU  20           HA       GLU  20  -0.528  -6.554  10.525
  184   1HB   GLU  20           2HB      GLU  20   1.330  -8.047  12.426
  185   2HB   GLU  20           3HB      GLU  20   0.882  -6.379  12.634
  186   1HG   GLU  20           2HG      GLU  20  -1.499  -6.986  12.826
  187   2HG   GLU  20           3HG      GLU  20  -1.100  -8.672  12.523
  188    QB   GLU  20           QB       GLU  20   1.106  -7.213  12.530
  189    QG   GLU  20           QG       GLU  20  -1.300  -7.829  12.675
  190    H    ASN  21           HN       ASN  21   2.643  -8.142  10.509
  191    HA   ASN  21           HA       ASN  21   4.444  -6.145  10.132
  192   1HB   ASN  21           2HB      ASN  21   4.799  -8.694   9.884
  193   2HB   ASN  21           3HB      ASN  21   4.450  -8.459   8.173
  194   1HD2  ASN  21           2HD      ASN  21   7.531  -6.801   7.545
  195   2HD2  ASN  21           1HD      ASN  21   5.995  -7.175   6.923
  196    QB   ASN  21           QB       ASN  21   4.625  -8.576   9.028
  197    QD2  ASN  21           QD2      ASN  21   6.763  -6.988   7.234
  198    H    ASP  22           HN       ASP  22   2.634  -7.489   7.349
  199    HA   ASP  22           HA       ASP  22   3.523  -5.695   5.358
  200   1HB   ASP  22           2HB      ASP  22   2.103  -7.610   4.804
  201   2HB   ASP  22           3HB      ASP  22   0.768  -6.949   5.734
  202    QB   ASP  22           QB       ASP  22   1.435  -7.280   5.269
  203    H    ILE  23           HN       ILE  23   0.720  -5.387   7.514
  204    HA   ILE  23           HA       ILE  23  -0.063  -2.805   6.593
  205    HB   ILE  23           HB       ILE  23  -0.383  -4.039   9.363
  206   1HG1  ILE  23           2HG      ILE  23  -2.321  -3.975   7.023
  207   2HG1  ILE  23           3HG      ILE  23  -1.213  -5.308   7.281
  208   1HG2  ILE  23           1HG      ILE  23  -1.919  -1.805   7.958
  209   2HG2  ILE  23           2HG      ILE  23  -2.316  -2.482   9.533
  210   3HG2  ILE  23           3HG      ILE  23  -0.822  -1.583   9.316
  211   1HD1  ILE  23           1HD      ILE  23  -3.301  -4.368   9.274
  212   2HD1  ILE  23           2HD      ILE  23  -3.410  -5.807   8.263
  213   3HD1  ILE  23           3HD      ILE  23  -2.177  -5.703   9.515
  214    QG1  ILE  23           QG1      ILE  23  -1.767  -4.642   7.152
  215    QG2  ILE  23           QG2      ILE  23  -1.685  -1.957   8.936
  216    QD1  ILE  23           QD1      ILE  23  -2.962  -5.292   9.017
  217    H    SER  24           HN       SER  24   2.223  -3.770   9.143
  218    HA   SER  24           HA       SER  24   2.786  -1.098  10.082
  219   1HB   SER  24           2HB      SER  24   4.778  -3.423   9.993
  220   2HB   SER  24           3HB      SER  24   4.699  -2.104  11.183
  221    HG   SER  24           HG       SER  24   3.310  -3.322  12.218
  222    QB   SER  24           QB       SER  24   4.738  -2.764  10.588
  223    H    GLU  25           HN       GLU  25   4.546  -3.195   7.837
  224    HA   GLU  25           HA       GLU  25   6.481  -1.420   6.897
  225   1HB   GLU  25           2HB      GLU  25   4.934  -3.602   5.442
  226   2HB   GLU  25           3HB      GLU  25   6.395  -2.860   4.813
  227   1HG   GLU  25           2HG      GLU  25   7.604  -3.576   6.901
  228   2HG   GLU  25           3HG      GLU  25   6.149  -4.422   7.409
  229    QB   GLU  25           QB       GLU  25   5.664  -3.231   5.128
  230    QG   GLU  25           QG       GLU  25   6.877  -3.999   7.155
  231    H    LEU  26           HN       LEU  26   3.224  -1.959   5.613
  232    HA   LEU  26           HA       LEU  26   3.298  -0.013   3.519
  233   1HB   LEU  26           2HB      LEU  26   1.515  -1.904   4.287
  234   2HB   LEU  26           3HB      LEU  26   0.741  -0.516   5.024
  235    HG   LEU  26           HG       LEU  26   1.558  -0.660   2.097
  236   1HD1  LEU  26           3HD      LEU  26  -0.217  -2.301   2.658
  237   2HD1  LEU  26           1HD      LEU  26  -1.171  -1.019   3.395
  238   3HD1  LEU  26           2HD      LEU  26  -0.853  -0.996   1.664
  239   1HD2  LEU  26           3HD      LEU  26  -0.162   1.300   3.660
  240   2HD2  LEU  26           1HD      LEU  26   1.402   1.643   2.931
  241   3HD2  LEU  26           2HD      LEU  26   0.019   1.300   1.913
  242    QB   LEU  26           QB       LEU  26   1.128  -1.209   4.655
  243    QD1  LEU  26           QD1      LEU  26  -0.747  -1.439   2.572
  244    QD2  LEU  26           QD2      LEU  26   0.419   1.414   2.835
  245    QQD  LEU  26           QQD      LEU  26  -0.164  -0.012   2.704
  246    H    HIS  27           HN       HIS  27   2.318   0.218   6.919
  247    HA   HIS  27           HA       HIS  27   1.348   2.877   6.946
  248   1HB   HIS  27           2HB      HIS  27   2.700   1.131   8.962
  249   2HB   HIS  27           3HB      HIS  27   2.513   2.807   9.347
  250    HD1  HIS  27           HD1      HIS  27   0.771   2.584  11.045
  251    HD2  HIS  27           HD2      HIS  27  -0.388   0.667   7.599
  252    HE1  HIS  27           HE1      HIS  27  -1.634   1.927  11.373
  253    QB   HIS  27           QB       HIS  27   2.607   1.969   9.154
  254    H    GLU  28           HN       GLU  28   4.601   1.620   6.994
  255    HA   GLU  28           HA       GLU  28   6.146   3.886   7.600
  256   1HB   GLU  28           2HB      GLU  28   6.806   1.417   6.969
  257   2HB   GLU  28           3HB      GLU  28   6.884   2.036   5.332
  258   1HG   GLU  28           2HG      GLU  28   8.418   3.899   6.371
  259   2HG   GLU  28           3HG      GLU  28   8.599   2.756   7.701
  260    QB   GLU  28           QB       GLU  28   6.845   1.727   6.151
  261    QG   GLU  28           QG       GLU  28   8.508   3.328   7.036
  262    H    LEU  29           HN       LEU  29   4.375   3.158   4.687
  263    HA   LEU  29           HA       LEU  29   5.570   5.388   3.168
  264   1HB   LEU  29           2HB      LEU  29   4.966   3.240   2.047
  265   2HB   LEU  29           3HB      LEU  29   3.291   3.472   2.515
  266    HG   LEU  29           HG       LEU  29   3.260   5.629   1.204
  267   1HD1  LEU  29           2HD      LEU  29   5.987   4.649   0.273
  268   2HD1  LEU  29           3HD      LEU  29   5.093   5.988  -0.440
  269   3HD1  LEU  29           1HD      LEU  29   5.682   6.109   1.215
  270   1HD2  LEU  29           1HD      LEU  29   2.422   3.519   0.238
  271   2HD2  LEU  29           2HD      LEU  29   3.173   4.517  -1.005
  272   3HD2  LEU  29           3HD      LEU  29   4.039   3.131  -0.340
  273    QB   LEU  29           QB       LEU  29   4.128   3.356   2.281
  274    QD1  LEU  29           QD1      LEU  29   5.588   5.582   0.350
  275    QD2  LEU  29           QD2      LEU  29   3.211   3.723  -0.369
  276    QQD  LEU  29           QQD      LEU  29   4.399   4.653  -0.010
  277    H    ALA  30           HN       ALA  30   2.354   4.469   4.327
  278    HA   ALA  30           HA       ALA  30   0.970   6.827   3.570
  279   1HB   ALA  30           1HB      ALA  30  -0.174   4.793   4.385
  280   2HB   ALA  30           2HB      ALA  30   0.485   5.061   5.996
  281   3HB   ALA  30           3HB      ALA  30  -0.674   6.202   5.318
  282    QB   ALA  30           QB       ALA  30  -0.121   5.352   5.233
  283    H    SER  31           HN       SER  31   3.237   6.308   6.125
  284    HA   SER  31           HA       SER  31   2.426   8.800   7.495
  285   1HB   SER  31           2HB      SER  31   4.675   6.856   8.123
  286   2HB   SER  31           3HB      SER  31   4.056   8.138   9.178
  287    HG   SER  31           HG       SER  31   2.840   5.747   8.339
  288    QB   SER  31           QB       SER  31   4.365   7.497   8.651
  289    H    THR  32           HN       THR  32   3.806   8.751   4.751
  290    HA   THR  32           HA       THR  32   5.921  10.729   5.541
  291    HB   THR  32           HB       THR  32   7.282   9.973   3.588
  292    HG1  THR  32          1HG       THR  32   5.521   7.784   3.372
  293   1HG2  THR  32           2HG      THR  32   6.337   7.616   5.290
  294   2HG2  THR  32           3HG      THR  32   7.850   7.697   4.396
  295   3HG2  THR  32           1HG      THR  32   7.587   8.751   5.782
  296    QG2  THR  32           QG2      THR  32   7.258   8.021   5.156
  297    NH1  ARG  33           NH1      ARG  33   5.365   7.919  -2.020
  298    NH2  ARG  33           NH2      ARG  33   4.041   8.461  -3.815
  299    H    ARG  33           HN       ARG  33   4.175   9.671   2.624
  300    HA   ARG  33           HA       ARG  33   3.885  12.551   1.876
  301   1HB   ARG  33           2HB      ARG  33   3.145  10.117   0.205
  302   2HB   ARG  33           3HB      ARG  33   3.286  11.777  -0.353
  303   1HG   ARG  33           2HG      ARG  33   5.742  11.659   0.406
  304   2HG   ARG  33           3HG      ARG  33   5.505   9.920   0.529
  305   1HD   ARG  33           2HD      ARG  33   5.338  11.681  -1.937
  306   2HD   ARG  33           3HD      ARG  33   6.322  10.244  -1.694
  307    HE   ARG  33           HE       ARG  33   3.350  10.230  -2.173
  308   1HH1  ARG  33           2HH      ARG  33   5.691   8.169  -1.099
  309   2HH1  ARG  33           1HH      ARG  33   5.655   7.055  -2.437
  310   1HH2  ARG  33           2HH      ARG  33   3.405   9.122  -4.238
  311   2HH2  ARG  33           1HH      ARG  33   4.250   7.618  -4.307
  312    QB   ARG  33           QB       ARG  33   3.215  10.947  -0.074
  313    QG   ARG  33           QG       ARG  33   5.623  10.790   0.468
  314    QD   ARG  33           QD       ARG  33   5.830  10.963  -1.815
  315    QH1  ARG  33           QH1      ARG  33   5.674   7.612  -1.768
  316    QH2  ARG  33           QH2      ARG  33   3.828   8.370  -4.272
  317    H    GLN  34           HN       GLN  34   1.720  12.726   0.466
  318    HA   GLN  34           HA       GLN  34  -0.491  12.074   2.359
  319   1HB   GLN  34           2HB      GLN  34  -0.549  14.125   0.113
  320   2HB   GLN  34           3HB      GLN  34  -1.653  13.993   1.475
  321   1HG   GLN  34           2HG      GLN  34   0.309  14.491   3.008
  322   2HG   GLN  34           3HG      GLN  34   1.263  14.836   1.566
  323   1HE2  GLN  34           2HE      GLN  34  -0.081  18.090   1.286
  324   2HE2  GLN  34           1HE      GLN  34   1.176  17.014   0.902
  325    QB   GLN  34           QB       GLN  34  -1.101  14.059   0.794
  326    QG   GLN  34           QG       GLN  34   0.786  14.663   2.286
  327    QE2  GLN  34           QE2      GLN  34   0.548  17.552   1.094
  328    H    ILE  35           HN       ILE  35  -0.830  10.002   1.586
  329    HA   ILE  35           HA       ILE  35  -1.833   9.800  -1.226
  330    HB   ILE  35           HB       ILE  35  -1.213   7.396  -1.137
  331   1HG1  ILE  35           2HG      ILE  35   0.085   8.064   1.537
  332   2HG1  ILE  35           3HG      ILE  35  -1.446   7.215   1.381
  333   1HG2  ILE  35           2HG      ILE  35   0.420   9.088  -1.977
  334   2HG2  ILE  35           3HG      ILE  35   1.077   9.243  -0.350
  335   3HG2  ILE  35           1HG      ILE  35   1.230   7.724  -1.227
  336   1HD1  ILE  35           3HD      ILE  35  -0.344   5.442   0.057
  337   2HD1  ILE  35           1HD      ILE  35   1.198   6.279   0.201
  338   3HD1  ILE  35           2HD      ILE  35   0.422   5.614   1.630
  339    QG1  ILE  35           QG1      ILE  35  -0.681   7.640   1.459
  340    QG2  ILE  35           QG2      ILE  35   0.909   8.685  -1.185
  341    QD1  ILE  35           QD1      ILE  35   0.425   5.778   0.630
  342    H    ASP  36           HN       ASP  36  -3.664   8.358  -1.530
  343    HA   ASP  36           HA       ASP  36  -5.280   8.018   0.949
  344   1HB   ASP  36           2HB      ASP  36  -7.273   8.440  -0.642
  345   2HB   ASP  36           3HB      ASP  36  -6.310   9.832  -0.189
  346    QB   ASP  36           QB       ASP  36  -6.792   9.137  -0.415
  347    H    PHE  37           HN       PHE  37  -6.829   6.293   0.864
  348    HA   PHE  37           HA       PHE  37  -6.061   4.105  -1.033
  349   1HB   PHE  37           2HB      PHE  37  -6.761   3.930   1.928
  350   2HB   PHE  37           3HB      PHE  37  -6.683   2.529   0.862
  351    HD1  PHE  37          1HD       PHE  37  -4.653   5.274   2.355
  352    HD2  PHE  37          2HD       PHE  37  -4.569   1.666   0.092
  353    HE1  PHE  37          1HE       PHE  37  -2.219   5.138   2.657
  354    HE2  PHE  37          2HE       PHE  37  -2.143   1.524   0.403
  355    HZ   PHE  37           HZ       PHE  37  -0.957   3.270   1.674
  356    QB   PHE  37           QB       PHE  37  -6.723   3.229   1.395
  357    QR   PHE  37           QR       PHE  37  -3.396   3.400   1.376
  358    CH2  TRP  38           CH2      TRP  38  -7.401   6.145  -6.921
  359    H    TRP  38           HN       TRP  38  -7.825   2.716  -1.621
  360    HA   TRP  38           HA       TRP  38 -10.499   3.979  -1.118
  361   1HB   TRP  38           2HB      TRP  38  -9.602   2.600  -3.642
  362   2HB   TRP  38           3HB      TRP  38 -11.097   3.466  -3.400
  363    HD1  TRP  38           HD1      TRP  38  -9.688   6.039  -1.899
  364    HE1  TRP  38           HE1      TRP  38  -8.310   7.661  -3.206
  365    HE3  TRP  38           HE3      TRP  38  -8.864   3.232  -5.954
  366    HZ2  TRP  38           HZ2      TRP  38  -7.224   7.903  -5.712
  367    HZ3  TRP  38           HZ3      TRP  38  -7.693   4.264  -7.885
  368    HH2  TRP  38           HH2      TRP  38  -6.904   6.584  -7.772
  369    QB   TRP  38           QB       TRP  38 -10.350   3.033  -3.521
  370    H    LYS  39           HN       LYS  39  -8.894   0.975  -2.076
  371    HA   LYS  39           HA       LYS  39 -11.116  -0.544  -0.744
  372   1HB   LYS  39           2HB      LYS  39  -9.106  -1.452  -2.834
  373   2HB   LYS  39           3HB      LYS  39 -10.380  -2.452  -2.150
  374   1HG   LYS  39           2HG      LYS  39 -12.109  -1.128  -3.150
  375   2HG   LYS  39           3HG      LYS  39 -10.990   0.160  -3.566
  376   1HD   LYS  39           2HD      LYS  39 -10.769  -2.659  -4.691
  377   2HD   LYS  39           3HD      LYS  39 -11.664  -1.384  -5.498
  378   1HE   LYS  39           2HE      LYS  39  -8.708  -1.283  -4.786
  379   2HE   LYS  39           3HE      LYS  39  -9.364  -1.540  -6.391
  380   1HZ   LYS  39           2HZ      LYS  39 -10.570   0.765  -5.422
  381   2HZ   LYS  39           3HZ      LYS  39  -8.920   0.882  -5.024
  382   3HZ   LYS  39           1HZ      LYS  39  -9.377   0.646  -6.638
  383    QB   LYS  39           QB       LYS  39  -9.743  -1.952  -2.492
  384    QG   LYS  39           QG       LYS  39 -11.549  -0.483  -3.358
  385    QD   LYS  39           QD       LYS  39 -11.217  -2.022  -5.094
  386    QE   LYS  39           QE       LYS  39  -9.036  -1.411  -5.588
  387    QZ   LYS  39           QZ       LYS  39  -9.622   0.764  -5.695
  388    HA   PRO  40           HA       PRO  40 -11.607  -1.033   1.207
  389   1HB   PRO  40           2HB      PRO  40 -10.135  -0.951   3.808
  390   2HB   PRO  40           3HB      PRO  40 -11.685  -1.710   3.423
  391   1HG   PRO  40           2HG      PRO  40  -9.402  -3.181   3.745
  392   2HG   PRO  40           3HG      PRO  40 -10.671  -3.676   2.617
  393   1HD   PRO  40           2HD      PRO  40  -7.994  -2.457   2.036
  394   2HD   PRO  40           3HD      PRO  40  -8.977  -3.535   1.026
  395    QB   PRO  40           QB       PRO  40 -10.910  -1.331   3.615
  396    QG   PRO  40           QG       PRO  40 -10.036  -3.429   3.181
  397    QD   PRO  40           QD       PRO  40  -8.486  -2.996   1.530
  398    H    ASP  41           HN       ASP  41 -12.226   0.912   2.651
  399    HA   ASP  41           HA       ASP  41 -10.757   3.235   1.641
  400   1HB   ASP  41           2HB      ASP  41 -13.276   3.119   1.776
  401   2HB   ASP  41           3HB      ASP  41 -13.141   3.130   3.534
  402    QB   ASP  41           QB       ASP  41 -13.208   3.124   2.655
  403    H    SER  42           HN       SER  42  -8.903   2.118   3.031
  404    HA   SER  42           HA       SER  42  -8.251   3.956   5.104
  405   1HB   SER  42           2HB      SER  42  -9.951   2.820   6.466
  406   2HB   SER  42           3HB      SER  42  -9.257   1.240   6.062
  407    HG   SER  42           HG       SER  42  -8.464   3.020   7.954
  408    QB   SER  42           QB       SER  42  -9.604   2.030   6.264
  409    H    VAL  43           HN       VAL  43  -6.426   3.200   6.398
  410    HA   VAL  43           HA       VAL  43  -4.660   1.216   5.028
  411    HB   VAL  43           HB       VAL  43  -4.047   3.577   4.417
  412   1HG1  VAL  43           1HG      VAL  43  -4.842   4.661   6.509
  413   2HG1  VAL  43           2HG      VAL  43  -3.540   3.882   7.402
  414   3HG1  VAL  43           3HG      VAL  43  -3.168   5.080   6.171
  415   1HG2  VAL  43           1HG      VAL  43  -2.282   1.829   4.562
  416   2HG2  VAL  43           2HG      VAL  43  -1.663   3.416   5.002
  417   3HG2  VAL  43           3HG      VAL  43  -2.020   2.238   6.257
  418    QG1  VAL  43           QG1      VAL  43  -3.850   4.542   6.694
  419    QG2  VAL  43           QG2      VAL  43  -1.989   2.495   5.274
  420    QQG  VAL  43           QQG      VAL  43  -2.920   3.518   5.984
  421    H    THR  44           HN       THR  44  -6.355   2.057   7.617
  422    HA   THR  44           HA       THR  44  -4.523   0.871   9.658
  423    HB   THR  44           HB       THR  44  -6.196   2.106  11.254
  424    HG1  THR  44          1HG       THR  44  -6.979   3.961   9.732
  425   1HG2  THR  44           1HG      THR  44  -4.623   3.849   9.285
  426   2HG2  THR  44           2HG      THR  44  -5.140   4.326  10.901
  427   3HG2  THR  44           3HG      THR  44  -3.909   3.084  10.700
  428    QG2  THR  44           QG2      THR  44  -4.557   3.753  10.295
  429    H    GLN  45           HN       GLN  45  -7.877   1.206   8.631
  430    HA   GLN  45           HA       GLN  45  -8.789  -1.088  10.214
  431   1HB   GLN  45           2HB      GLN  45 -10.167   0.587   8.079
  432   2HB   GLN  45           3HB      GLN  45 -10.966  -0.668   9.009
  433   1HG   GLN  45           2HG      GLN  45 -10.396   0.570  11.113
  434   2HG   GLN  45           3HG      GLN  45  -9.707   1.863  10.131
  435   1HE2  GLN  45           2HE      GLN  45 -12.948   3.311  10.048
  436   2HE2  GLN  45           1HE      GLN  45 -11.308   3.514  10.444
  437    QB   GLN  45           QB       GLN  45 -10.566  -0.040   8.543
  438    QG   GLN  45           QG       GLN  45 -10.052   1.216  10.622
  439    QE2  GLN  45           QE2      GLN  45 -12.128   3.413  10.246
  440    H    ILE  46           HN       ILE  46  -6.749  -1.902   8.643
  441    HA   ILE  46           HA       ILE  46  -8.038  -3.482   6.447
  442    HB   ILE  46           HB       ILE  46  -5.437  -2.051   6.696
  443   1HG1  ILE  46           2HG      ILE  46  -5.656  -1.864   4.266
  444   2HG1  ILE  46           3HG      ILE  46  -6.971  -3.028   4.267
  445   1HG2  ILE  46           2HG      ILE  46  -5.515  -4.782   5.368
  446   2HG2  ILE  46           3HG      ILE  46  -4.203  -3.615   5.217
  447   3HG2  ILE  46           1HG      ILE  46  -4.558  -4.338   6.778
  448   1HD1  ILE  46           2HD      ILE  46  -7.030  -0.348   5.706
  449   2HD1  ILE  46           3HD      ILE  46  -7.784  -0.666   4.148
  450   3HD1  ILE  46           1HD      ILE  46  -8.368  -1.488   5.587
  451    QG1  ILE  46           QG1      ILE  46  -6.313  -2.446   4.266
  452    QG2  ILE  46           QG2      ILE  46  -4.759  -4.245   5.788
  453    QD1  ILE  46           QD1      ILE  46  -7.727  -0.834   5.147
  454    H    LYS  47           HN       LYS  47  -7.666  -5.729   6.469
  455    HA   LYS  47           HA       LYS  47  -6.393  -6.727   8.992
  456   1HB   LYS  47           2HB      LYS  47  -7.942  -8.679   8.835
  457   2HB   LYS  47           3HB      LYS  47  -8.822  -7.163   8.973
  458   1HG   LYS  47           2HG      LYS  47  -9.505  -7.192   6.738
  459   2HG   LYS  47           3HG      LYS  47  -8.179  -8.222   6.241
  460   1HD   LYS  47           2HD      LYS  47  -9.294 -10.060   7.696
  461   2HD   LYS  47           3HD      LYS  47 -10.709  -9.009   7.689
  462   1HE   LYS  47           2HE      LYS  47 -10.817 -10.638   5.819
  463   2HE   LYS  47           3HE      LYS  47 -10.687  -8.989   5.206
  464   1HZ   LYS  47           3HZ      LYS  47  -8.105 -10.056   5.652
  465   2HZ   LYS  47           1HZ      LYS  47  -8.965 -11.111   4.654
  466   3HZ   LYS  47           2HZ      LYS  47  -8.767  -9.489   4.208
  467    QB   LYS  47           QB       LYS  47  -8.383  -7.921   8.904
  468    QG   LYS  47           QG       LYS  47  -8.842  -7.707   6.490
  469    QD   LYS  47           QD       LYS  47 -10.002  -9.535   7.692
  470    QE   LYS  47           QE       LYS  47 -10.753  -9.814   5.512
  471    QZ   LYS  47           QZ       LYS  47  -8.612 -10.219   4.838
  472    HA   PRO  48           HA       PRO  48  -3.555  -9.367   6.693
  473   1HB   PRO  48           2HB      PRO  48  -4.957 -11.560   8.201
  474   2HB   PRO  48           3HB      PRO  48  -3.232 -11.295   7.983
  475   1HG   PRO  48           2HG      PRO  48  -4.434 -10.640  10.302
  476   2HG   PRO  48           3HG      PRO  48  -3.138  -9.632   9.645
  477   1HD   PRO  48           2HD      PRO  48  -6.080  -9.098   9.721
  478   2HD   PRO  48           3HD      PRO  48  -4.728  -7.943   9.715
  479    QB   PRO  48           QB       PRO  48  -4.094 -11.427   8.092
  480    QG   PRO  48           QG       PRO  48  -3.786 -10.136   9.974
  481    QD   PRO  48           QD       PRO  48  -5.404  -8.520   9.718
  482    H    HIS  49           HN       HIS  49  -3.635 -10.647   4.853
  483    HA   HIS  49           HA       HIS  49  -4.519 -11.610   2.932
  484   1HB   HIS  49           2HB      HIS  49  -6.579 -12.596   4.907
  485   2HB   HIS  49           3HB      HIS  49  -6.488 -13.132   3.251
  486    HD1  HIS  49           HD1      HIS  49  -6.079 -15.480   4.380
  487    HD2  HIS  49           HD2      HIS  49  -2.950 -12.846   4.861
  488    HE1  HIS  49           HE1      HIS  49  -4.104 -16.837   5.128
  489    QB   HIS  49           QB       HIS  49  -6.533 -12.864   4.080
  490    H    SER  50           HN       SER  50  -4.962  -9.136   2.689
  491    HA   SER  50           HA       SER  50  -7.737  -8.976   1.623
  492   1HB   SER  50           2HB      SER  50  -6.541  -6.695   3.237
  493   2HB   SER  50           3HB      SER  50  -8.210  -6.843   2.645
  494    HG   SER  50           HG       SER  50  -6.922  -8.090   4.738
  495    QB   SER  50           QB       SER  50  -7.375  -6.769   2.941
  496    H    THR  51           HN       THR  51  -7.920  -6.986   0.241
  497    HA   THR  51           HA       THR  51  -5.361  -6.577  -1.244
  498    HB   THR  51           HB       THR  51  -7.168  -5.819  -3.066
  499    HG1  THR  51          1HG       THR  51  -9.017  -5.869  -1.962
  500   1HG2  THR  51           1HG      THR  51  -5.871  -8.023  -3.221
  501   2HG2  THR  51           2HG      THR  51  -7.105  -8.758  -2.203
  502   3HG2  THR  51           3HG      THR  51  -7.528  -8.162  -3.806
  503    QG2  THR  51           QG2      THR  51  -6.835  -8.315  -3.077
  504    H    VAL  52           HN       VAL  52  -4.509  -4.654  -0.679
  505    HA   VAL  52           HA       VAL  52  -6.415  -2.407  -0.182
  506    HB   VAL  52           HB       VAL  52  -3.515  -2.483   0.673
  507   1HG1  VAL  52           2HG      VAL  52  -4.655  -0.278   0.589
  508   2HG1  VAL  52           3HG      VAL  52  -5.925  -0.886   1.641
  509   3HG1  VAL  52           1HG      VAL  52  -4.281  -0.733   2.245
  510   1HG2  VAL  52           1HG      VAL  52  -5.965  -3.313   2.273
  511   2HG2  VAL  52           2HG      VAL  52  -4.708  -4.403   1.705
  512   3HG2  VAL  52           3HG      VAL  52  -4.330  -3.176   2.909
  513    QG1  VAL  52           QG1      VAL  52  -4.954  -0.633   1.492
  514    QG2  VAL  52           QG2      VAL  52  -5.001  -3.631   2.296
  515    QQG  VAL  52           QQG      VAL  52  -4.977  -2.131   1.894
  516    H    ASP  53           HN       ASP  53  -6.412  -0.739  -1.720
  517    HA   ASP  53           HA       ASP  53  -4.027  -0.764  -3.552
  518   1HB   ASP  53           2HB      ASP  53  -5.350  -0.456  -5.419
  519   2HB   ASP  53           3HB      ASP  53  -6.417  -1.449  -4.441
  520    QB   ASP  53           QB       ASP  53  -5.883  -0.953  -4.930
  521    H    PHE  54           HN       PHE  54  -3.591   1.164  -4.635
  522    HA   PHE  54           HA       PHE  54  -4.072   3.625  -2.956
  523   1HB   PHE  54           2HB      PHE  54  -1.661   3.346  -4.761
  524   2HB   PHE  54           3HB      PHE  54  -1.885   4.396  -3.380
  525    HD1  PHE  54          2HD       PHE  54  -1.707   0.745  -4.184
  526    HD2  PHE  54          1HD       PHE  54  -0.855   3.809  -1.355
  527    HE1  PHE  54          2HE       PHE  54  -0.441  -0.844  -2.843
  528    HE2  PHE  54          1HE       PHE  54   0.438   2.213  -0.014
  529    HZ   PHE  54           HZ       PHE  54   0.617  -0.130  -0.732
  530    QB   PHE  54           QB       PHE  54  -1.773   3.871  -4.071
  531    QR   PHE  54           QR       PHE  54  -0.641   1.481  -2.099
  532    NH1  ARG  55           NH1      ARG  55  -1.078  10.588  -3.718
  533    NH2  ARG  55           NH2      ARG  55  -2.889  11.439  -2.674
  534    H    ARG  55           HN       ARG  55  -3.138   5.579  -4.493
  535    HA   ARG  55           HA       ARG  55  -5.089   5.695  -6.673
  536   1HB   ARG  55           2HB      ARG  55  -4.670   8.057  -6.746
  537   2HB   ARG  55           3HB      ARG  55  -4.670   7.623  -5.042
  538   1HG   ARG  55           2HG      ARG  55  -2.241   7.632  -4.967
  539   2HG   ARG  55           3HG      ARG  55  -2.121   7.817  -6.704
  540   1HD   ARG  55           2HD      ARG  55  -1.785  10.011  -5.927
  541   2HD   ARG  55           3HD      ARG  55  -3.489  10.005  -6.364
  542    HE   ARG  55           HE       ARG  55  -3.971   9.590  -3.916
  543   1HH1  ARG  55           2HH      ARG  55  -0.681   9.947  -4.383
  544   2HH1  ARG  55           1HH      ARG  55  -0.468  11.143  -3.171
  545   1HH2  ARG  55           2HH      ARG  55  -3.888  11.427  -2.558
  546   2HH2  ARG  55           1HH      ARG  55  -2.319  12.023  -2.086
  547    QB   ARG  55           QB       ARG  55  -4.670   7.840  -5.894
  548    QG   ARG  55           QG       ARG  55  -2.181   7.725  -5.836
  549    QD   ARG  55           QD       ARG  55  -2.636  10.008  -6.146
  550    QH1  ARG  55           QH1      ARG  55  -0.575  10.545  -3.778
  551    QH2  ARG  55           QH2      ARG  55  -3.104  11.725  -2.322
  552    H    VAL  56           HN       VAL  56  -4.628   6.136  -8.810
  553    HA   VAL  56           HA       VAL  56  -2.032   5.205  -9.765
  554    HB   VAL  56           HB       VAL  56  -3.283   4.970 -11.877
  555   1HG1  VAL  56           2HG      VAL  56  -3.540   3.186 -10.175
  556   2HG1  VAL  56           3HG      VAL  56  -4.935   4.021  -9.518
  557   3HG1  VAL  56           1HG      VAL  56  -4.992   3.358 -11.148
  558   1HG2  VAL  56           2HG      VAL  56  -5.588   6.281 -10.410
  559   2HG2  VAL  56           3HG      VAL  56  -4.685   6.993 -11.740
  560   3HG2  VAL  56           1HG      VAL  56  -5.674   5.569 -12.014
  561    QG1  VAL  56           QG1      VAL  56  -4.489   3.521 -10.280
  562    QG2  VAL  56           QG2      VAL  56  -5.316   6.281 -11.388
  563    QQG  VAL  56           QQG      VAL  56  -4.903   4.901 -10.834
  564    H    LYS  57           HN       LYS  57  -1.981   7.759  -8.558
  565    HA   LYS  57           HA       LYS  57  -2.173   9.754 -10.713
  566   1HB   LYS  57           2HB      LYS  57  -2.652  10.193  -8.235
  567   2HB   LYS  57           3HB      LYS  57  -0.914  10.142  -7.981
  568   1HG   LYS  57           2HG      LYS  57  -1.428  12.449  -8.283
  569   2HG   LYS  57           3HG      LYS  57  -0.747  11.934  -9.813
  570   1HD   LYS  57           2HD      LYS  57  -3.105  11.557 -10.665
  571   2HD   LYS  57           3HD      LYS  57  -3.703  12.227  -9.158
  572   1HE   LYS  57           2HE      LYS  57  -3.702  14.025 -10.754
  573   2HE   LYS  57           3HE      LYS  57  -2.350  14.323  -9.668
  574   1HZ   LYS  57           2HZ      LYS  57  -1.436  12.689 -11.756
  575   2HZ   LYS  57           3HZ      LYS  57  -2.290  13.988 -12.448
  576   3HZ   LYS  57           1HZ      LYS  57  -0.981  14.279 -11.410
  577    QB   LYS  57           QB       LYS  57  -1.783  10.168  -8.107
  578    QG   LYS  57           QG       LYS  57  -1.087  12.192  -9.048
  579    QD   LYS  57           QD       LYS  57  -3.403  11.892  -9.912
  580    QE   LYS  57           QE       LYS  57  -3.026  14.174 -10.211
  581    QZ   LYS  57           QZ       LYS  57  -1.569  13.651 -11.871
  582    H    ALA  58           HN       ALA  58  -0.723   8.386 -11.983
  583    HA   ALA  58           HA       ALA  58   1.626   7.556 -12.293
  584   1HB   ALA  58           2HB      ALA  58   0.946  10.190 -13.619
  585   2HB   ALA  58           3HB      ALA  58   2.253   9.134 -14.140
  586   3HB   ALA  58           1HB      ALA  58   0.586   8.572 -14.217
  587    QB   ALA  58           QB       ALA  58   1.262   9.298 -13.992
  588    H    GLU  59           HN       GLU  59   1.809  11.066 -11.941
  589    HA   GLU  59           HA       GLU  59   4.553  11.231 -11.414
  590   1HB   GLU  59           2HB      GLU  59   3.988  13.422 -10.237
  591   2HB   GLU  59           3HB      GLU  59   3.433  13.269 -11.893
  592   1HG   GLU  59           2HG      GLU  59   1.539  12.445  -9.715
  593   2HG   GLU  59           3HG      GLU  59   1.825  14.155  -9.948
  594    QB   GLU  59           QB       GLU  59   3.711  13.345 -11.065
  595    QG   GLU  59           QG       GLU  59   1.682  13.300  -9.832
  596    H    ASP  60           HN       ASP  60   1.950  10.942  -8.985
  597    HA   ASP  60           HA       ASP  60   3.906  10.713  -6.781
  598   1HB   ASP  60           2HB      ASP  60   1.681  11.837  -6.457
  599   2HB   ASP  60           3HB      ASP  60   0.885  10.300  -6.753
  600    QB   ASP  60           QB       ASP  60   1.283  11.069  -6.605
  601    H    ILE  61           HN       ILE  61   3.703   8.650  -9.028
  602    HA   ILE  61           HA       ILE  61   2.997   6.247  -7.406
  603    HB   ILE  61           HB       ILE  61   3.855   6.404 -10.329
  604   1HG1  ILE  61           2HG      ILE  61   1.696   7.619  -9.817
  605   2HG1  ILE  61           3HG      ILE  61   1.546   6.273 -10.937
  606   1HG2  ILE  61           3HG      ILE  61   4.176   4.192  -9.240
  607   2HG2  ILE  61           1HG      ILE  61   2.506   4.203  -8.720
  608   3HG2  ILE  61           2HG      ILE  61   2.897   4.127 -10.436
  609   1HD1  ILE  61           2HD      ILE  61   0.913   6.121  -7.989
  610   2HD1  ILE  61           3HD      ILE  61  -0.268   6.312  -9.269
  611   3HD1  ILE  61           1HD      ILE  61   0.674   4.837  -9.172
  612    QG1  ILE  61           QG1      ILE  61   1.621   6.946 -10.376
  613    QG2  ILE  61           QG2      ILE  61   3.193   4.174  -9.465
  614    QD1  ILE  61           QD1      ILE  61   0.439   5.757  -8.810
  615    H    LEU  62           HN       LEU  62   5.351   5.611  -9.735
  616    HA   LEU  62           HA       LEU  62   7.442   4.566  -9.451
  617   1HB   LEU  62           2HB      LEU  62   7.906   7.437  -8.595
  618   2HB   LEU  62           3HB      LEU  62   9.159   6.344  -9.161
  619    HG   LEU  62           HG       LEU  62   6.697   6.927 -10.838
  620   1HD1  LEU  62           3HD      LEU  62   9.352   8.415 -10.853
  621   2HD1  LEU  62           1HD      LEU  62   8.052   8.626 -12.021
  622   3HD1  LEU  62           2HD      LEU  62   7.807   9.088 -10.340
  623   1HD2  LEU  62           3HD      LEU  62   9.520   5.992 -11.481
  624   2HD2  LEU  62           1HD      LEU  62   8.090   4.965 -11.443
  625   3HD2  LEU  62           2HD      LEU  62   8.236   6.229 -12.660
  626    QB   LEU  62           QB       LEU  62   8.532   6.890  -8.877
  627    QD1  LEU  62           QD1      LEU  62   8.404   8.709 -11.071
  628    QD2  LEU  62           QD2      LEU  62   8.615   5.729 -11.862
  629    QQD  LEU  62           QQD      LEU  62   8.510   7.220 -11.466
  630    H    ALA  63           HN       ALA  63   7.634   6.845  -6.740
  631    HA   ALA  63           HA       ALA  63   9.314   5.276  -5.109
  632   1HB   ALA  63           1HB      ALA  63   7.136   7.226  -4.257
  633   2HB   ALA  63           2HB      ALA  63   8.447   6.661  -3.222
  634   3HB   ALA  63           3HB      ALA  63   8.801   7.649  -4.637
  635    QB   ALA  63           QB       ALA  63   8.128   7.179  -4.039
  636    H    VAL  64           HN       VAL  64   5.838   5.187  -5.542
  637    HA   VAL  64           HA       VAL  64   5.283   3.428  -3.307
  638    HB   VAL  64           HB       VAL  64   3.704   3.630  -5.904
  639   1HG1  VAL  64           2HG      VAL  64   2.912   2.933  -3.049
  640   2HG1  VAL  64           3HG      VAL  64   1.808   3.027  -4.415
  641   3HG1  VAL  64           1HG      VAL  64   3.061   1.795  -4.383
  642   1HG2  VAL  64           1HG      VAL  64   3.482   5.358  -3.407
  643   2HG2  VAL  64           2HG      VAL  64   4.085   5.895  -4.972
  644   3HG2  VAL  64           3HG      VAL  64   2.404   5.421  -4.801
  645    QG1  VAL  64           QG1      VAL  64   2.593   2.585  -3.949
  646    QG2  VAL  64           QG2      VAL  64   3.323   5.557  -4.393
  647    QQG  VAL  64           QQG      VAL  64   2.958   4.072  -4.171
  648    H    GLU  65           HN       GLU  65   5.966   2.921  -6.739
  649    HA   GLU  65           HA       GLU  65   5.650   0.067  -6.800
  650   1HB   GLU  65           2HB      GLU  65   7.563   1.755  -8.493
  651   2HB   GLU  65           3HB      GLU  65   6.872   0.195  -8.924
  652   1HG   GLU  65           2HG      GLU  65   4.600   1.199  -8.932
  653   2HG   GLU  65           3HG      GLU  65   5.276   2.749  -8.479
  654    QB   GLU  65           QB       GLU  65   7.217   0.976  -8.709
  655    QG   GLU  65           QG       GLU  65   4.938   1.974  -8.705
  656    H    ASP  66           HN       ASP  66   8.532   2.105  -6.607
  657    HA   ASP  66           HA       ASP  66  10.487   0.186  -6.008
  658   1HB   ASP  66           2HB      ASP  66  10.848   2.641  -6.432
  659   2HB   ASP  66           3HB      ASP  66  10.250   2.982  -4.820
  660    QB   ASP  66           QB       ASP  66  10.549   2.811  -5.626
  661    H    PHE  67           HN       PHE  67   8.741   2.150  -3.614
  662    HA   PHE  67           HA       PHE  67   9.529   0.879  -1.250
  663   1HB   PHE  67           2HB      PHE  67   8.070   2.915  -1.381
  664   2HB   PHE  67           3HB      PHE  67   6.723   1.887  -1.863
  665    HD1  PHE  67          1HD       PHE  67   5.832   0.170  -0.266
  666    HD2  PHE  67          2HD       PHE  67   8.860   2.933   0.917
  667    HE1  PHE  67          1HE       PHE  67   5.511  -0.475   2.079
  668    HE2  PHE  67          2HE       PHE  67   8.537   2.272   3.258
  669    HZ   PHE  67           HZ       PHE  67   6.893   0.545   3.836
  670    QB   PHE  67           QB       PHE  67   7.397   2.401  -1.623
  671    QR   PHE  67           QR       PHE  67   7.186   1.225   1.497
  672    H    LEU  68           HN       LEU  68   6.631   0.067  -3.158
  673    HA   LEU  68           HA       LEU  68   5.846  -2.206  -1.654
  674   1HB   LEU  68           2HB      LEU  68   5.552  -1.584  -4.617
  675   2HB   LEU  68           3HB      LEU  68   4.778  -2.965  -3.850
  676    HG   LEU  68           HG       LEU  68   4.393  -0.121  -2.848
  677   1HD1  LEU  68           3HD      LEU  68   2.675  -1.724  -4.782
  678   2HD1  LEU  68           1HD      LEU  68   2.224  -0.175  -4.076
  679   3HD1  LEU  68           2HD      LEU  68   3.589  -0.275  -5.187
  680   1HD2  LEU  68           3HD      LEU  68   2.819  -2.700  -2.467
  681   2HD2  LEU  68           1HD      LEU  68   3.861  -1.952  -1.263
  682   3HD2  LEU  68           2HD      LEU  68   2.397  -1.134  -1.781
  683    QB   LEU  68           QB       LEU  68   5.165  -2.274  -4.234
  684    QD1  LEU  68           QD1      LEU  68   2.829  -0.725  -4.682
  685    QD2  LEU  68           QD2      LEU  68   3.026  -1.929  -1.837
  686    QQD  LEU  68           QQD      LEU  68   2.928  -1.327  -3.259
  687    H    GLU  69           HN       GLU  69   8.229  -1.777  -4.143
  688    HA   GLU  69           HA       GLU  69   8.810  -4.581  -4.563
  689   1HB   GLU  69           2HB      GLU  69   9.362  -2.469  -6.027
  690   2HB   GLU  69           3HB      GLU  69  10.770  -2.307  -4.993
  691   1HG   GLU  69           2HG      GLU  69  11.455  -3.592  -6.898
  692   2HG   GLU  69           3HG      GLU  69  11.330  -4.725  -5.556
  693    QB   GLU  69           QB       GLU  69  10.065  -2.388  -5.509
  694    QG   GLU  69           QG       GLU  69  11.392  -4.158  -6.227
  695    H    GLN  70           HN       GLN  70  10.754  -2.052  -3.049
  696    HA   GLN  70           HA       GLN  70  12.730  -3.450  -1.791
  697   1HB   GLN  70           2HB      GLN  70  11.176  -1.096  -0.635
  698   2HB   GLN  70           3HB      GLN  70  12.735  -1.651  -0.038
  699   1HG   GLN  70           2HG      GLN  70  13.657  -1.320  -2.392
  700   2HG   GLN  70           3HG      GLN  70  12.135  -0.554  -2.811
  701   1HE2  GLN  70           2HE      GLN  70  13.441   2.529  -1.697
  702   2HE2  GLN  70           1HE      GLN  70  12.574   1.674  -2.879
  703    QB   GLN  70           QB       GLN  70  11.956  -1.374  -0.337
  704    QG   GLN  70           QG       GLN  70  12.895  -0.936  -2.601
  705    QE2  GLN  70           QE2      GLN  70  13.008   2.100  -2.288
  706    H    ASN  71           HN       ASN  71   9.478  -2.920  -0.371
  707    HA   ASN  71           HA       ASN  71  10.194  -4.963   1.682
  708   1HB   ASN  71           2HB      ASN  71   7.756  -3.160   1.486
  709   2HB   ASN  71           3HB      ASN  71   8.158  -4.212   2.825
  710   1HD2  ASN  71           2HD      ASN  71   9.345  -0.554   3.179
  711   2HD2  ASN  71           1HD      ASN  71   8.013  -1.098   2.300
  712    QB   ASN  71           QB       ASN  71   7.957  -3.686   2.155
  713    QD2  ASN  71           QD2      ASN  71   8.679  -0.825   2.739
  714    H    GLU  72           HN       GLU  72   9.718  -5.809  -1.017
  715    HA   GLU  72           HA       GLU  72   7.990  -6.857  -2.391
  716   1HB   GLU  72           2HB      GLU  72   8.851  -8.721  -0.160
  717   2HB   GLU  72           3HB      GLU  72   8.140  -9.248  -1.676
  718   1HG   GLU  72           2HG      GLU  72  10.029  -8.145  -2.909
  719   2HG   GLU  72           3HG      GLU  72  10.753  -7.711  -1.367
  720    QB   GLU  72           QB       GLU  72   8.496  -8.985  -0.918
  721    QG   GLU  72           QG       GLU  72  10.391  -7.928  -2.138
  722    H    LEU  73           HN       LEU  73   6.427  -5.268  -1.093
  723    HA   LEU  73           HA       LEU  73   4.536  -6.626   0.652
  724   1HB   LEU  73           2HB      LEU  73   5.209  -3.932  -0.031
  725   2HB   LEU  73           3HB      LEU  73   3.527  -4.145  -0.490
  726    HG   LEU  73           HG       LEU  73   3.000  -4.965   1.773
  727   1HD1  LEU  73           2HD      LEU  73   5.924  -4.410   2.366
  728   2HD1  LEU  73           3HD      LEU  73   4.705  -4.765   3.583
  729   3HD1  LEU  73           1HD      LEU  73   5.144  -5.982   2.399
  730   1HD2  LEU  73           1HD      LEU  73   4.556  -2.355   1.794
  731   2HD2  LEU  73           2HD      LEU  73   2.862  -2.532   1.348
  732   3HD2  LEU  73           3HD      LEU  73   3.378  -2.835   3.006
  733    QB   LEU  73           QB       LEU  73   4.368  -4.039  -0.261
  734    QD1  LEU  73           QD1      LEU  73   5.258  -5.053   2.783
  735    QD2  LEU  73           QD2      LEU  73   3.599  -2.574   2.049
  736    QQD  LEU  73           QQD      LEU  73   4.429  -3.813   2.416
  737    H    GLN  74           HN       GLN  74   4.111  -8.368  -0.687
  738    HA   GLN  74           HA       GLN  74   3.355  -9.136  -2.979
  739   1HB   GLN  74           2HB      GLN  74   2.401  -9.867  -0.570
  740   2HB   GLN  74           3HB      GLN  74   0.924  -9.193  -1.226
  741   1HG   GLN  74           2HG      GLN  74   2.598 -11.426  -2.427
  742   2HG   GLN  74           3HG      GLN  74   0.981 -11.546  -1.760
  743   1HE2  GLN  74           2HE      GLN  74   1.517 -10.012  -5.507
  744   2HE2  GLN  74           1HE      GLN  74   2.841 -10.284  -4.480
  745    QB   GLN  74           QB       GLN  74   1.662  -9.531  -0.898
  746    QG   GLN  74           QG       GLN  74   1.789 -11.485  -2.093
  747    QE2  GLN  74           QE2      GLN  74   2.179 -10.148  -4.993
  748    OH   TYR  75           OH       TYR  75   7.013  -6.084  -7.819
  749    H    TYR  75           HN       TYR  75   3.262  -7.145  -4.305
  750    HA   TYR  75           HA       TYR  75   0.564  -5.907  -4.302
  751   1HB   TYR  75           2HB      TYR  75   1.597  -4.136  -5.707
  752   2HB   TYR  75           3HB      TYR  75   2.382  -4.311  -4.147
  753    HD1  TYR  75           HD1      TYR  75   4.578  -5.636  -4.027
  754    HD2  TYR  75           HD2      TYR  75   2.792  -4.520  -7.728
  755    HE1  TYR  75           HE1      TYR  75   6.648  -6.234  -5.209
  756    HE2  TYR  75           HE2      TYR  75   4.875  -5.054  -8.893
  757    HH   TYR  75           HH       TYR  75   7.790  -5.622  -7.444
  758    QB   TYR  75           QB       TYR  75   1.990  -4.223  -4.927
  759    QR   TYR  75           QR       TYR  75   4.723  -5.361  -6.464
  760    H    GLU  76           HN       GLU  76  -0.778  -6.184  -5.886
  761    HA   GLU  76           HA       GLU  76   0.147  -7.608  -8.360
  762   1HB   GLU  76           2HB      GLU  76  -1.119  -9.016  -6.714
  763   2HB   GLU  76           3HB      GLU  76  -2.466  -7.916  -6.865
  764   1HG   GLU  76           2HG      GLU  76  -2.626  -8.473  -9.300
  765   2HG   GLU  76           3HG      GLU  76  -1.295  -9.603  -9.107
  766    QB   GLU  76           QB       GLU  76  -1.792  -8.465  -6.790
  767    QG   GLU  76           QG       GLU  76  -1.960  -9.038  -9.203
  768    H    VAL  77           HN       VAL  77  -1.612  -7.290 -10.168
  769    HA   VAL  77           HA       VAL  77  -2.509  -4.425 -10.085
  770    HB   VAL  77           HB       VAL  77  -1.496  -6.015 -12.481
  771   1HG1  VAL  77           1HG      VAL  77  -2.107  -3.051 -12.151
  772   2HG1  VAL  77           2HG      VAL  77  -1.271  -3.750 -13.535
  773   3HG1  VAL  77           3HG      VAL  77  -2.939  -4.180 -13.223
  774   1HG2  VAL  77           1HG      VAL  77   0.284  -5.626 -10.806
  775   2HG2  VAL  77           2HG      VAL  77   0.560  -4.646 -12.244
  776   3HG2  VAL  77           3HG      VAL  77  -0.106  -3.908 -10.789
  777    QG1  VAL  77           QG1      VAL  77  -2.105  -3.661 -12.970
  778    QG2  VAL  77           QG2      VAL  77   0.246  -4.727 -11.280
  779    QQG  VAL  77           QQG      VAL  77  -0.930  -4.193 -12.125
  780    H    LEU  78           HN       LEU  78  -4.148  -4.021 -11.943
  781    HA   LEU  78           HA       LEU  78  -6.254  -6.146 -11.868
  782   1HB   LEU  78           2HB      LEU  78  -6.454  -3.128 -12.194
  783   2HB   LEU  78           3HB      LEU  78  -7.811  -4.208 -12.455
  784    HG   LEU  78           HG       LEU  78  -6.247  -4.036  -9.849
  785   1HD1  LEU  78           1HD      LEU  78  -8.972  -2.906 -10.603
  786   2HD1  LEU  78           2HD      LEU  78  -8.262  -2.867  -8.992
  787   3HD1  LEU  78           3HD      LEU  78  -7.516  -1.960 -10.303
  788   1HD2  LEU  78           2HD      LEU  78  -8.853  -5.435 -10.590
  789   2HD2  LEU  78           3HD      LEU  78  -7.333  -6.235 -10.203
  790   3HD2  LEU  78           1HD      LEU  78  -8.192  -5.335  -8.963
  791    QB   LEU  78           QB       LEU  78  -7.132  -3.668 -12.325
  792    QD1  LEU  78           QD1      LEU  78  -8.250  -2.578  -9.966
  793    QD2  LEU  78           QD2      LEU  78  -8.125  -5.669  -9.919
  794    QQD  LEU  78           QQD      LEU  78  -8.188  -4.123  -9.943
  795    H    ILE  79           HN       ILE  79  -4.127  -6.271 -13.645
  796    HA   ILE  79           HA       ILE  79  -5.551  -6.094 -16.245
  797    HB   ILE  79           HB       ILE  79  -2.645  -5.278 -15.811
  798   1HG1  ILE  79           2HG      ILE  79  -5.096  -3.634 -16.571
  799   2HG1  ILE  79           3HG      ILE  79  -4.253  -3.557 -15.033
  800   1HG2  ILE  79           2HG      ILE  79  -3.091  -6.450 -17.977
  801   2HG2  ILE  79           3HG      ILE  79  -4.361  -5.287 -18.334
  802   3HG2  ILE  79           1HG      ILE  79  -2.684  -4.762 -18.229
  803   1HD1  ILE  79           1HD      ILE  79  -2.184  -2.827 -16.221
  804   2HD1  ILE  79           2HD      ILE  79  -3.071  -2.851 -17.744
  805   3HD1  ILE  79           3HD      ILE  79  -3.520  -1.711 -16.483
  806    QG1  ILE  79           QG1      ILE  79  -4.674  -3.595 -15.802
  807    QG2  ILE  79           QG2      ILE  79  -3.379  -5.500 -18.180
  808    QD1  ILE  79           QD1      ILE  79  -2.925  -2.463 -16.816
  809    H    ASN  80           HN       ASN  80  -5.907  -8.329 -15.961
  810    HA   ASN  80           HA       ASN  80  -3.469 -10.055 -15.909
  811   1HB   ASN  80           2HB      ASN  80  -5.577 -10.446 -14.415
  812   2HB   ASN  80           3HB      ASN  80  -6.336 -11.039 -15.885
  813   1HD2  ASN  80           2HD      ASN  80  -3.345 -13.538 -15.788
  814   2HD2  ASN  80           1HD      ASN  80  -3.464 -12.109 -16.697
  815    QB   ASN  80           QB       ASN  80  -5.957 -10.742 -15.150
  816    QD2  ASN  80           QD2      ASN  80  -3.405 -12.824 -16.242
  817    H    ASN  81           HN       ASN  81  -5.686  -8.625 -17.956
  818    HA   ASN  81           HA       ASN  81  -4.794 -10.277 -20.245
  819   1HB   ASN  81           2HB      ASN  81  -7.082 -10.123 -21.229
  820   2HB   ASN  81           3HB      ASN  81  -7.043 -11.080 -19.760
  821   1HD2  ASN  81                 ASN  81  -8.521  -7.401 -18.872
  822   2HD2  ASN  81           1HD      ASN  81  -6.907  -7.574 -19.369
  823    QB   ASN  81           QB       ASN  81  -7.063 -10.602 -20.494
  824    QD2  ASN  81           QD2      ASN  81  -7.714  -7.487 -19.121
   
  Start of MODEL          14
 Raw file had 824 H/Q atoms
  Start of MODEL   14
    1   1H    HIS   1           HN1      HIS   1   9.325  13.734 -13.497
    2   2H    HIS   1           HN2      HIS   1   8.217  14.680 -12.708
    3   3H    HIS   1           HN3      HIS   1   7.873  14.083 -14.213
    4    HA   HIS   1           HA       HIS   1   8.787  15.776 -15.221
    5   1HB   HIS   1           2HB      HIS   1   9.374  17.743 -13.817
    6   2HB   HIS   1           3HB      HIS   1   7.809  17.073 -13.448
    7    HD1  HIS   1           HD1      HIS   1  11.175  17.490 -12.051
    8    HD2  HIS   1           HD2      HIS   1   7.579  15.926 -10.779
    9    HE1  HIS   1           HE1      HIS   1  11.456  16.929  -9.615
   10    QB   HIS   1           QB       HIS   1   8.591  17.408 -13.633
   11    H    HIS   2           HN       HIS   2  10.873  15.312 -12.388
   12    HA   HIS   2           HA       HIS   2  13.283  15.985 -12.611
   13   1HB   HIS   2           2HB      HIS   2  14.156  13.496 -12.700
   14   2HB   HIS   2           3HB      HIS   2  13.258  14.108 -11.339
   15    HD1  HIS   2           HD1      HIS   2  10.891  13.264 -11.041
   16    HD2  HIS   2           HD2      HIS   2  12.755  11.481 -14.253
   17    HE1  HIS   2           HE1      HIS   2   9.341  11.466 -11.869
   18    QB   HIS   2           QB       HIS   2  13.708  13.802 -12.020
   19    H    SER   3           HN       SER   3  13.055  13.230 -14.850
   20    HA   SER   3           HA       SER   3  14.551  14.878 -16.843
   21   1HB   SER   3           2HB      SER   3  15.894  12.750 -17.316
   22   2HB   SER   3           3HB      SER   3  16.180  13.446 -15.710
   23    HG   SER   3           HG       SER   3  15.443  11.045 -16.067
   24    QB   SER   3           QB       SER   3  16.037  13.098 -16.513
   25    H    GLY   4           HN       GLY   4  13.328  11.566 -16.691
   26   1HA   GLY   4           1HA      GLY   4  11.509  12.144 -18.978
   27   2HA   GLY   4           2HA      GLY   4  12.660  10.816 -19.131
   28    QA   GLY   4           QA       GLY   4  12.085  11.480 -19.055
   29    H    GLU   5           HN       GLU   5   9.722  10.752 -19.078
   30    HA   GLU   5           HA       GLU   5   9.417   8.761 -16.899
   31   1HB   GLU   5           2HB      GLU   5   7.571  11.129 -17.420
   32   2HB   GLU   5           3HB      GLU   5   7.104   9.750 -16.428
   33   1HG   GLU   5           2HG      GLU   5   8.835  10.192 -14.819
   34   2HG   GLU   5           3HG      GLU   5   9.662  11.305 -15.897
   35    QB   GLU   5           QB       GLU   5   7.338  10.440 -16.924
   36    QG   GLU   5           QG       GLU   5   9.249  10.749 -15.358
   37    H    HIS   6           HN       HIS   6   6.741   8.078 -17.438
   38    HA   HIS   6           HA       HIS   6   6.816   7.364 -20.344
   39   1HB   HIS   6           2HB      HIS   6   5.969   5.498 -18.117
   40   2HB   HIS   6           3HB      HIS   6   6.112   5.104 -19.811
   41    HD1  HIS   6           HD1      HIS   6   8.888   6.710 -19.982
   42    HD2  HIS   6           HD2      HIS   6   8.060   3.594 -17.414
   43    HE1  HIS   6           HE1      HIS   6  11.092   5.665 -19.381
   44    QB   HIS   6           QB       HIS   6   6.041   5.301 -18.963
   45    H    PHE   7           HN       PHE   7   4.512   6.066 -20.692
   46    HA   PHE   7           HA       PHE   7   2.497   8.146 -19.976
   47   1HB   PHE   7           2HB      PHE   7   1.169   7.092 -21.861
   48   2HB   PHE   7           3HB      PHE   7   2.691   7.820 -22.367
   49    HD1  PHE   7          1HD       PHE   7   4.618   6.381 -22.985
   50    HD2  PHE   7          2HD       PHE   7   0.872   4.664 -21.882
   51    HE1  PHE   7          1HE       PHE   7   5.365   4.203 -23.822
   52    HE2  PHE   7          2HE       PHE   7   1.613   2.492 -22.765
   53    HZ   PHE   7           HZ       PHE   7   3.856   2.261 -23.742
   54    QB   PHE   7           QB       PHE   7   1.930   7.457 -22.113
   55    QR   PHE   7           QR       PHE   7   3.117   4.435 -22.864
   56    H    GLU   8           HN       GLU   8   3.483   5.285 -18.812
   57    HA   GLU   8           HA       GLU   8   0.804   4.116 -18.341
   58   1HB   GLU   8           2HB      GLU   8   3.020   2.797 -18.819
   59   2HB   GLU   8           3HB      GLU   8   3.404   3.133 -17.137
   60   1HG   GLU   8           2HG      GLU   8   1.084   2.137 -16.580
   61   2HG   GLU   8           3HG      GLU   8   1.078   1.536 -18.237
   62    QB   GLU   8           QB       GLU   8   3.212   2.965 -17.978
   63    QG   GLU   8           QG       GLU   8   1.082   1.837 -17.409
   64    H    GLY   9           HN       GLY   9   0.439   6.303 -17.335
   65   1HA   GLY   9           1HA      GLY   9   1.363   6.445 -14.496
   66   2HA   GLY   9           2HA      GLY   9   0.685   7.791 -15.405
   67    QA   GLY   9           QA       GLY   9   1.024   7.118 -14.951
   68    H    GLU  10           HN       GLU  10  -1.579   6.526 -16.480
   69    HA   GLU  10           HA       GLU  10  -3.340   6.566 -14.156
   70   1HB   GLU  10           2HB      GLU  10  -4.003   5.816 -17.031
   71   2HB   GLU  10           3HB      GLU  10  -5.137   6.336 -15.797
   72   1HG   GLU  10           2HG      GLU  10  -2.863   8.099 -16.779
   73   2HG   GLU  10           3HG      GLU  10  -4.480   8.145 -17.467
   74    QB   GLU  10           QB       GLU  10  -4.570   6.076 -16.414
   75    QG   GLU  10           QG       GLU  10  -3.671   8.122 -17.123
   76    H    LYS  11           HN       LYS  11  -1.826   4.551 -13.435
   77    HA   LYS  11           HA       LYS  11  -3.115   2.050 -14.468
   78   1HB   LYS  11           2HB      LYS  11  -1.191   0.870 -13.356
   79   2HB   LYS  11           3HB      LYS  11  -0.690   1.982 -14.623
   80   1HG   LYS  11           2HG      LYS  11  -0.079   3.669 -13.009
   81   2HG   LYS  11           3HG      LYS  11  -0.792   2.754 -11.687
   82   1HD   LYS  11           2HD      LYS  11   1.446   2.199 -11.432
   83   2HD   LYS  11           3HD      LYS  11   0.913   0.886 -12.465
   84   1HE   LYS  11           2HE      LYS  11   1.708   2.147 -14.463
   85   2HE   LYS  11           3HE      LYS  11   2.266   3.443 -13.410
   86   1HZ   LYS  11           3HZ      LYS  11   3.273   1.013 -12.445
   87   2HZ   LYS  11           1HZ      LYS  11   3.614   1.106 -14.127
   88   3HZ   LYS  11           2HZ      LYS  11   4.148   2.329 -13.046
   89    QB   LYS  11           QB       LYS  11  -0.941   1.426 -13.989
   90    QG   LYS  11           QG       LYS  11  -0.436   3.211 -12.348
   91    QD   LYS  11           QD       LYS  11   1.179   1.543 -11.949
   92    QE   LYS  11           QE       LYS  11   1.987   2.795 -13.936
   93    QZ   LYS  11           QZ       LYS  11   3.679   1.482 -13.206
   94    H    VAL  12           HN       VAL  12  -3.401   0.321 -12.796
   95    HA   VAL  12           HA       VAL  12  -4.226   1.422 -10.139
   96    HB   VAL  12           HB       VAL  12  -5.839  -0.575 -11.784
   97   1HG1  VAL  12           2HG      VAL  12  -6.535   0.958  -9.256
   98   2HG1  VAL  12           3HG      VAL  12  -7.620  -0.124 -10.125
   99   3HG1  VAL  12           1HG      VAL  12  -6.179  -0.764  -9.341
  100   1HG2  VAL  12           3HG      VAL  12  -6.326   2.396 -11.366
  101   2HG2  VAL  12           1HG      VAL  12  -5.894   1.622 -12.886
  102   3HG2  VAL  12           2HG      VAL  12  -7.453   1.285 -12.143
  103    QG1  VAL  12           QG1      VAL  12  -6.779   0.023  -9.574
  104    QG2  VAL  12           QG2      VAL  12  -6.557   1.768 -12.131
  105    QQG  VAL  12           QQG      VAL  12  -6.668   0.895 -10.853
  106    H    PHE  13           HN       PHE  13  -4.068  -0.148  -8.420
  107    HA   PHE  13           HA       PHE  13  -3.545  -2.915  -8.959
  108   1HB   PHE  13           2HB      PHE  13  -1.170  -2.943  -8.030
  109   2HB   PHE  13           3HB      PHE  13  -1.370  -2.421  -9.684
  110    HD1  PHE  13          1HD       PHE  13  -2.341   0.143  -7.241
  111    HD2  PHE  13          2HD       PHE  13   0.940  -1.602  -9.330
  112    HE1  PHE  13          1HE       PHE  13  -0.944   2.088  -6.694
  113    HE2  PHE  13          2HE       PHE  13   2.318   0.332  -8.788
  114    HZ   PHE  13           HZ       PHE  13   1.411   2.166  -7.468
  115    QB   PHE  13           QB       PHE  13  -1.270  -2.682  -8.857
  116    QR   PHE  13           QR       PHE  13  -0.007   0.240  -8.014
  117    NH1  ARG  14           NH1      ARG  14  -7.128  -7.487  -3.975
  118    NH2  ARG  14           NH2      ARG  14  -5.398  -8.461  -5.100
  119    H    ARG  14           HN       ARG  14  -2.681  -4.060  -6.900
  120    HA   ARG  14           HA       ARG  14  -3.808  -2.679  -4.515
  121   1HB   ARG  14           2HB      ARG  14  -4.085  -5.592  -5.302
  122   2HB   ARG  14           3HB      ARG  14  -4.828  -4.796  -3.945
  123   1HG   ARG  14           2HG      ARG  14  -6.010  -3.270  -5.603
  124   2HG   ARG  14           3HG      ARG  14  -5.410  -4.336  -6.873
  125   1HD   ARG  14           2HD      ARG  14  -7.048  -5.221  -4.481
  126   2HD   ARG  14           3HD      ARG  14  -7.700  -5.010  -6.081
  127    HE   ARG  14           HE       ARG  14  -6.204  -6.879  -6.855
  128   1HH1  ARG  14           2HH      ARG  14  -7.826  -6.785  -3.955
  129   2HH1  ARG  14           1HH      ARG  14  -7.056  -8.116  -3.195
  130   1HH2  ARG  14           2HH      ARG  14  -4.796  -8.459  -5.907
  131   2HH2  ARG  14           1HH      ARG  14  -5.292  -9.175  -4.416
  132    QB   ARG  14           QB       ARG  14  -4.456  -5.194  -4.623
  133    QG   ARG  14           QG       ARG  14  -5.710  -3.804  -6.238
  134    QD   ARG  14           QD       ARG  14  -7.374  -5.116  -5.281
  135    QH1  ARG  14           QH1      ARG  14  -7.441  -7.450  -3.575
  136    QH2  ARG  14           QH2      ARG  14  -5.044  -8.817  -5.162
  137    H    VAL  15           HN       VAL  15  -3.196  -3.670  -2.485
  138    HA   VAL  15           HA       VAL  15  -0.477  -4.938  -2.498
  139    HB   VAL  15           HB       VAL  15  -1.759  -3.298  -0.262
  140   1HG1  VAL  15           3HG      VAL  15  -0.042  -4.938   0.469
  141   2HG1  VAL  15           1HG      VAL  15   1.098  -4.260  -0.694
  142   3HG1  VAL  15           2HG      VAL  15   0.543  -3.291   0.665
  143   1HG2  VAL  15           1HG      VAL  15   0.335  -2.446  -2.299
  144   2HG2  VAL  15           2HG      VAL  15  -1.316  -1.840  -2.200
  145   3HG2  VAL  15           3HG      VAL  15  -0.173  -1.492  -0.906
  146    QG1  VAL  15           QG1      VAL  15   0.533  -4.163   0.147
  147    QG2  VAL  15           QG2      VAL  15  -0.385  -1.926  -1.801
  148    QQG  VAL  15           QQG      VAL  15   0.074  -3.045  -0.827
  149    H    ASN  16           HN       ASN  16  -0.261  -6.718  -0.938
  150    HA   ASN  16           HA       ASN  16  -2.940  -7.822  -0.192
  151   1HB   ASN  16           2HB      ASN  16  -1.649  -9.230  -1.779
  152   2HB   ASN  16           3HB      ASN  16  -0.329  -9.302  -0.617
  153   1HD2  ASN  16           2HD      ASN  16  -2.005 -11.615   1.524
  154   2HD2  ASN  16           1HD      ASN  16  -0.701 -10.529   1.378
  155    QB   ASN  16           QB       ASN  16  -0.989  -9.267  -1.198
  156    QD2  ASN  16           QD2      ASN  16  -1.353 -11.072   1.451
  157    H    VAL  17           HN       VAL  17  -3.408  -8.026   1.854
  158    HA   VAL  17           HA       VAL  17  -1.232  -7.548   3.821
  159    HB   VAL  17           HB       VAL  17  -4.251  -7.427   4.202
  160   1HG1  VAL  17           1HG      VAL  17  -2.891  -7.764   6.247
  161   2HG1  VAL  17           2HG      VAL  17  -1.922  -6.362   5.823
  162   3HG1  VAL  17           3HG      VAL  17  -3.629  -6.174   6.227
  163   1HG2  VAL  17           3HG      VAL  17  -2.246  -5.194   3.661
  164   2HG2  VAL  17           1HG      VAL  17  -3.491  -5.740   2.546
  165   3HG2  VAL  17           2HG      VAL  17  -3.948  -4.956   4.051
  166    QG1  VAL  17           QG1      VAL  17  -2.814  -6.767   6.099
  167    QG2  VAL  17           QG2      VAL  17  -3.229  -5.297   3.419
  168    QQG  VAL  17           QQG      VAL  17  -3.021  -6.032   4.759
  169    H    GLU  18           HN       GLU  18  -0.421  -9.589   3.835
  170    HA   GLU  18           HA       GLU  18  -2.204 -11.895   4.327
  171   1HB   GLU  18           2HB      GLU  18  -0.118 -11.858   2.754
  172   2HB   GLU  18           3HB      GLU  18   0.824 -11.968   4.233
  173   1HG   GLU  18           2HG      GLU  18   0.402 -14.216   3.267
  174   2HG   GLU  18           3HG      GLU  18  -0.354 -14.053   4.845
  175    QB   GLU  18           QB       GLU  18   0.353 -11.913   3.493
  176    QG   GLU  18           QG       GLU  18   0.024 -14.134   4.056
  177    H    ASP  19           HN       ASP  19   0.446 -10.171   5.895
  178    HA   ASP  19           HA       ASP  19  -0.442 -11.308   8.497
  179   1HB   ASP  19           2HB      ASP  19   1.480 -12.523   8.197
  180   2HB   ASP  19           3HB      ASP  19   2.343 -11.282   7.347
  181    QB   ASP  19           QB       ASP  19   1.911 -11.902   7.772
  182    H    GLU  20           HN       GLU  20   0.813 -10.162  10.170
  183    HA   GLU  20           HA       GLU  20  -0.183  -7.455  10.277
  184   1HB   GLU  20           2HB      GLU  20   0.215  -8.800  12.318
  185   2HB   GLU  20           3HB      GLU  20   1.943  -8.806  11.982
  186   1HG   GLU  20           2HG      GLU  20   1.441  -7.064  13.614
  187   2HG   GLU  20           3HG      GLU  20   1.940  -6.295  12.117
  188    QB   GLU  20           QB       GLU  20   1.079  -8.803  12.150
  189    QG   GLU  20           QG       GLU  20   1.691  -6.680  12.865
  190    H    ASN  21           HN       ASN  21   3.018  -8.845   9.832
  191    HA   ASN  21           HA       ASN  21   4.645  -6.570   9.748
  192   1HB   ASN  21           2HB      ASN  21   5.326  -8.995   9.384
  193   2HB   ASN  21           3HB      ASN  21   4.808  -8.824   7.717
  194   1HD2  ASN  21           2HD      ASN  21   7.579  -6.062   7.776
  195   2HD2  ASN  21           1HD      ASN  21   5.924  -5.821   8.016
  196    QB   ASN  21           QB       ASN  21   5.067  -8.909   8.550
  197    QD2  ASN  21           QD2      ASN  21   6.751  -5.941   7.896
  198    H    ASP  22           HN       ASP  22   2.606  -7.837   7.133
  199    HA   ASP  22           HA       ASP  22   3.398  -5.872   5.163
  200   1HB   ASP  22           2HB      ASP  22   2.138  -7.968   4.586
  201   2HB   ASP  22           3HB      ASP  22   0.728  -7.353   5.439
  202    QB   ASP  22           QB       ASP  22   1.433  -7.660   5.012
  203    H    ILE  23           HN       ILE  23   0.832  -5.979   7.595
  204    HA   ILE  23           HA       ILE  23  -0.437  -3.527   6.787
  205    HB   ILE  23           HB       ILE  23  -0.287  -4.644   9.621
  206   1HG1  ILE  23           2HG      ILE  23  -2.283  -5.267   7.430
  207   2HG1  ILE  23           3HG      ILE  23  -0.959  -6.339   7.854
  208   1HG2  ILE  23           1HG      ILE  23  -2.367  -2.958   8.155
  209   2HG2  ILE  23           2HG      ILE  23  -2.522  -3.551   9.803
  210   3HG2  ILE  23           3HG      ILE  23  -1.276  -2.381   9.412
  211   1HD1  ILE  23           3HD      ILE  23  -1.858  -6.427  10.190
  212   2HD1  ILE  23           1HD      ILE  23  -3.240  -5.487   9.648
  213   3HD1  ILE  23           2HD      ILE  23  -2.954  -7.088   8.985
  214    QG1  ILE  23           QG1      ILE  23  -1.621  -5.803   7.642
  215    QG2  ILE  23           QG2      ILE  23  -2.055  -2.963   9.123
  216    QD1  ILE  23           QD1      ILE  23  -2.684  -6.334   9.608
  217    H    SER  24           HN       SER  24   2.070  -4.252   9.111
  218    HA   SER  24           HA       SER  24   2.538  -1.622  10.113
  219   1HB   SER  24           2HB      SER  24   3.482  -3.498  11.298
  220   2HB   SER  24           3HB      SER  24   4.298  -4.099   9.847
  221    HG   SER  24           HG       SER  24   5.848  -2.714  10.147
  222    QB   SER  24           QB       SER  24   3.890  -3.798  10.573
  223    H    GLU  25           HN       GLU  25   4.641  -3.413   7.897
  224    HA   GLU  25           HA       GLU  25   6.122  -1.220   6.953
  225   1HB   GLU  25           2HB      GLU  25   5.452  -3.964   5.985
  226   2HB   GLU  25           3HB      GLU  25   6.201  -2.900   4.827
  227   1HG   GLU  25           2HG      GLU  25   7.785  -4.350   6.290
  228   2HG   GLU  25           3HG      GLU  25   8.168  -2.637   6.197
  229    QB   GLU  25           QB       GLU  25   5.826  -3.432   5.406
  230    QG   GLU  25           QG       GLU  25   7.977  -3.494   6.243
  231    H    LEU  26           HN       LEU  26   3.090  -2.541   5.497
  232    HA   LEU  26           HA       LEU  26   3.058  -0.730   3.320
  233   1HB   LEU  26           2HB      LEU  26   1.535  -2.604   3.310
  234   2HB   LEU  26           3HB      LEU  26   0.892  -2.168   4.883
  235    HG   LEU  26           HG       LEU  26  -0.021  -0.120   3.956
  236   1HD1  LEU  26           1HD      LEU  26   0.909  -1.237   1.283
  237   2HD1  LEU  26           2HD      LEU  26  -0.148   0.160   1.471
  238   3HD1  LEU  26           3HD      LEU  26   1.512   0.230   2.052
  239   1HD2  LEU  26           3HD      LEU  26  -0.848  -2.679   2.545
  240   2HD2  LEU  26           1HD      LEU  26  -1.433  -2.110   4.105
  241   3HD2  LEU  26           2HD      LEU  26  -1.852  -1.233   2.636
  242    QB   LEU  26           QB       LEU  26   1.214  -2.385   4.096
  243    QD1  LEU  26           QD1      LEU  26   0.758  -0.283   1.602
  244    QD2  LEU  26           QD2      LEU  26  -1.377  -2.008   3.095
  245    QQD  LEU  26           QQD      LEU  26  -0.310  -1.145   2.349
  246    H    HIS  27           HN       HIS  27   1.629  -0.542   6.558
  247    HA   HIS  27           HA       HIS  27   0.212   1.804   6.604
  248   1HB   HIS  27           2HB      HIS  27   1.813   0.355   8.520
  249   2HB   HIS  27           3HB      HIS  27   1.950   2.054   8.829
  250    HD1  HIS  27           HD1      HIS  27   0.140   2.997  10.131
  251    HD2  HIS  27           HD2      HIS  27  -1.084  -0.552   8.471
  252    HE1  HIS  27           HE1      HIS  27  -2.123   2.494  11.119
  253    QB   HIS  27           QB       HIS  27   1.882   1.204   8.674
  254    H    GLU  28           HN       GLU  28   3.690   1.799   7.226
  255    HA   GLU  28           HA       GLU  28   4.317   4.430   7.377
  256   1HB   GLU  28           2HB      GLU  28   5.900   2.492   7.405
  257   2HB   GLU  28           3HB      GLU  28   5.845   2.429   5.650
  258   1HG   GLU  28           2HG      GLU  28   7.792   3.743   6.327
  259   2HG   GLU  28           3HG      GLU  28   6.618   4.858   5.648
  260    QB   GLU  28           QB       GLU  28   5.873   2.460   6.527
  261    QG   GLU  28           QG       GLU  28   7.205   4.300   5.988
  262    H    LEU  29           HN       LEU  29   3.707   2.749   4.332
  263    HA   LEU  29           HA       LEU  29   4.295   4.638   2.417
  264   1HB   LEU  29           2HB      LEU  29   3.326   2.473   1.847
  265   2HB   LEU  29           3HB      LEU  29   1.812   2.906   2.615
  266    HG   LEU  29           HG       LEU  29   1.261   4.489   0.915
  267   1HD1  LEU  29           1HD      LEU  29   4.087   4.121  -0.171
  268   2HD1  LEU  29           2HD      LEU  29   2.826   5.112  -0.905
  269   3HD1  LEU  29           3HD      LEU  29   3.493   5.555   0.660
  270   1HD2  LEU  29           1HD      LEU  29   2.601   2.080  -0.370
  271   2HD2  LEU  29           2HD      LEU  29   0.955   2.136   0.252
  272   3HD2  LEU  29           3HD      LEU  29   1.399   3.099  -1.152
  273    QB   LEU  29           QB       LEU  29   2.569   2.690   2.231
  274    QD1  LEU  29           QD1      LEU  29   3.469   4.929  -0.139
  275    QD2  LEU  29           QD2      LEU  29   1.652   2.438  -0.423
  276    QQD  LEU  29           QQD      LEU  29   2.560   3.684  -0.281
  277    H    ALA  30           HN       ALA  30   1.381   4.633   4.471
  278    HA   ALA  30           HA       ALA  30   0.408   7.127   3.239
  279   1HB   ALA  30           1HB      ALA  30  -0.521   5.582   5.682
  280   2HB   ALA  30           2HB      ALA  30  -1.379   6.942   4.967
  281   3HB   ALA  30           3HB      ALA  30  -1.185   5.447   4.057
  282    QB   ALA  30           QB       ALA  30  -1.028   5.991   4.902
  283    H    SER  31           HN       SER  31   3.031   7.181   4.491
  284    HA   SER  31           HA       SER  31   2.579   9.545   6.232
  285   1HB   SER  31           2HB      SER  31   4.317   7.158   7.020
  286   2HB   SER  31           3HB      SER  31   4.295   8.713   7.867
  287    HG   SER  31           HG       SER  31   1.771   7.818   7.370
  288    QB   SER  31           QB       SER  31   4.307   7.936   7.443
  289    H    THR  32           HN       THR  32   4.872   7.442   4.611
  290    HA   THR  32           HA       THR  32   6.806   9.620   4.309
  291    HB   THR  32           HB       THR  32   7.515   7.320   4.888
  292    HG1  THR  32          1HG       THR  32   9.205   8.021   3.874
  293   1HG2  THR  32           2HG      THR  32   6.591   6.664   2.065
  294   2HG2  THR  32           3HG      THR  32   7.470   5.580   3.135
  295   3HG2  THR  32           1HG      THR  32   5.832   6.077   3.534
  296    QG2  THR  32           QG2      THR  32   6.631   6.108   2.912
  297    NH1  ARG  33           NH2      ARG  33   8.485   8.250   0.641
  298    NH2  ARG  33           NH1      ARG  33   8.820   6.292  -0.508
  299    H    ARG  33           HN       ARG  33   4.204   8.392   2.351
  300    HA   ARG  33           HA       ARG  33   5.281  10.011   0.061
  301   1HB   ARG  33           2HB      ARG  33   3.681   7.436  -0.112
  302   2HB   ARG  33           3HB      ARG  33   4.101   8.454  -1.484
  303   1HG   ARG  33           2HG      ARG  33   6.266   7.548   0.322
  304   2HG   ARG  33           3HG      ARG  33   5.605   6.408  -0.847
  305   1HD   ARG  33           2HD      ARG  33   6.250   7.687  -2.682
  306   2HD   ARG  33           3HD      ARG  33   6.182   9.200  -1.786
  307    HE   ARG  33           HE       ARG  33   8.488   8.535  -2.175
  308   1HH1  ARG  33           2HH      ARG  33   8.129   9.191   0.635
  309   2HH1  ARG  33           1HH      ARG  33   8.833   7.869   1.505
  310   1HH2  ARG  33           2HH      ARG  33   8.746   5.773  -1.373
  311   2HH2  ARG  33           1HH      ARG  33   9.166   5.828   0.311
  312    QB   ARG  33           QB       ARG  33   3.891   7.946  -0.798
  313    QG   ARG  33           QG       ARG  33   5.935   6.978  -0.262
  314    QD   ARG  33           QD       ARG  33   6.216   8.444  -2.234
  315    QH1  ARG  33           QH2      ARG  33   8.481   8.531   1.070
  316    QH2  ARG  33           QH1      ARG  33   8.956   5.802  -0.531
  317    H    GLN  34           HN       GLN  34   3.475  10.636  -1.489
  318    HA   GLN  34           HA       GLN  34   1.049  11.429   0.089
  319   1HB   GLN  34           2HB      GLN  34   2.827  13.219  -0.744
  320   2HB   GLN  34           3HB      GLN  34   2.036  12.995  -2.300
  321   1HG   GLN  34           2HG      GLN  34  -0.085  13.706  -1.439
  322   2HG   GLN  34           3HG      GLN  34   0.471  13.608   0.228
  323   1HE2  GLN  34           2HE      GLN  34   1.506  16.967   0.155
  324   2HE2  GLN  34           1HE      GLN  34   0.888  15.668   1.052
  325    QB   GLN  34           QB       GLN  34   2.432  13.108  -1.522
  326    QG   GLN  34           QG       GLN  34   0.194  13.657  -0.606
  327    QE2  GLN  34           QE2      GLN  34   1.197  16.318   0.604
  328    H    ILE  35           HN       ILE  35   0.548   9.218  -0.709
  329    HA   ILE  35           HA       ILE  35  -0.346   9.130  -3.548
  330    HB   ILE  35           HB       ILE  35  -0.536   6.695  -3.193
  331   1HG1  ILE  35           2HG      ILE  35   0.675   6.788  -0.478
  332   2HG1  ILE  35           3HG      ILE  35  -0.998   7.320  -0.541
  333   1HG2  ILE  35           2HG      ILE  35   1.689   7.661  -3.738
  334   2HG2  ILE  35           3HG      ILE  35   2.037   7.815  -2.022
  335   3HG2  ILE  35           1HG      ILE  35   1.835   6.218  -2.738
  336   1HD1  ILE  35           1HD      ILE  35   0.027   4.701  -1.685
  337   2HD1  ILE  35           2HD      ILE  35  -0.825   4.875  -0.155
  338   3HD1  ILE  35           3HD      ILE  35  -1.650   5.237  -1.667
  339    QG1  ILE  35           QG1      ILE  35  -0.161   7.054  -0.509
  340    QG2  ILE  35           QG2      ILE  35   1.854   7.232  -2.833
  341    QD1  ILE  35           QD1      ILE  35  -0.816   4.938  -1.169
  342    H    ASP  36           HN       ASP  36  -2.389   7.498  -3.629
  343    HA   ASP  36           HA       ASP  36  -4.466   8.683  -1.822
  344   1HB   ASP  36           2HB      ASP  36  -6.032   8.423  -3.720
  345   2HB   ASP  36           3HB      ASP  36  -4.658   9.398  -4.214
  346    QB   ASP  36           QB       ASP  36  -5.345   8.911  -3.967
  347    H    PHE  37           HN       PHE  37  -6.445   7.168  -1.761
  348    HA   PHE  37           HA       PHE  37  -5.625   4.298  -1.858
  349   1HB   PHE  37           2HB      PHE  37  -6.838   5.783   0.480
  350   2HB   PHE  37           3HB      PHE  37  -7.042   4.046   0.306
  351    HD1  PHE  37          2HD       PHE  37  -5.089   2.537   0.435
  352    HD2  PHE  37          1HD       PHE  37  -4.610   6.738   0.953
  353    HE1  PHE  37          2HE       PHE  37  -2.871   2.164   1.429
  354    HE2  PHE  37          1HE       PHE  37  -2.386   6.362   1.922
  355    HZ   PHE  37           HZ       PHE  37  -1.501   4.076   2.142
  356    QB   PHE  37           QB       PHE  37  -6.939   4.914   0.394
  357    QR   PHE  37           QR       PHE  37  -3.739   4.450   1.185
  358    CH2  TRP  38           CH2      TRP  38 -10.172   3.094  -9.523
  359    H    TRP  38           HN       TRP  38  -7.379   2.832  -2.172
  360    HA   TRP  38           HA       TRP  38  -9.911   4.148  -3.121
  361   1HB   TRP  38           2HB      TRP  38  -8.162   2.839  -4.709
  362   2HB   TRP  38           3HB      TRP  38  -9.106   1.482  -4.181
  363    HD1  TRP  38           HD1      TRP  38 -12.004   3.171  -4.301
  364    HE1  TRP  38           HE1      TRP  38 -13.018   3.581  -6.565
  365    HE3  TRP  38           HE3      TRP  38  -7.923   2.406  -7.070
  366    HZ2  TRP  38           HZ2      TRP  38 -12.234   3.569  -9.229
  367    HZ3  TRP  38           HZ3      TRP  38  -8.101   2.583  -9.541
  368    HH2  TRP  38           HH2      TRP  38 -10.235   3.158 -10.600
  369    QB   TRP  38           QB       TRP  38  -8.634   2.161  -4.444
  370    H    LYS  39           HN       LYS  39  -8.613   0.995  -2.100
  371    HA   LYS  39           HA       LYS  39 -11.002   0.632  -0.322
  372   1HB   LYS  39           2HB      LYS  39  -9.733  -1.589  -1.984
  373   2HB   LYS  39           3HB      LYS  39 -11.151  -1.731  -0.962
  374   1HG   LYS  39           2HG      LYS  39 -12.103   0.202  -2.485
  375   2HG   LYS  39           3HG      LYS  39 -10.875  -0.342  -3.614
  376   1HD   LYS  39           2HD      LYS  39 -12.892  -2.238  -2.362
  377   2HD   LYS  39           3HD      LYS  39 -13.203  -1.387  -3.860
  378   1HE   LYS  39           2HE      LYS  39 -12.371  -3.483  -4.566
  379   2HE   LYS  39           3HE      LYS  39 -11.004  -2.397  -4.728
  380   1HZ   LYS  39           3HZ      LYS  39 -10.899  -3.425  -2.151
  381   2HZ   LYS  39           1HZ      LYS  39 -11.212  -4.742  -3.178
  382   3HZ   LYS  39           2HZ      LYS  39  -9.865  -3.760  -3.446
  383    QB   LYS  39           QB       LYS  39 -10.443  -1.660  -1.473
  384    QG   LYS  39           QG       LYS  39 -11.489  -0.070  -3.049
  385    QD   LYS  39           QD       LYS  39 -13.047  -1.812  -3.111
  386    QE   LYS  39           QE       LYS  39 -11.688  -2.940  -4.648
  387    QZ   LYS  39           QZ       LYS  39 -10.658  -3.976  -2.925
  388    HA   PRO  40           HA       PRO  40 -11.523  -1.252   0.874
  389   1HB   PRO  40           2HB      PRO  40 -11.598  -1.881   3.576
  390   2HB   PRO  40           3HB      PRO  40 -11.126  -3.011   2.305
  391   1HG   PRO  40           2HG      PRO  40  -9.438  -1.761   4.361
  392   2HG   PRO  40           3HG      PRO  40  -9.035  -3.082   3.261
  393   1HD   PRO  40           2HD      PRO  40  -8.295  -0.259   3.042
  394   2HD   PRO  40           3HD      PRO  40  -7.761  -1.618   2.032
  395    QB   PRO  40           QB       PRO  40 -11.362  -2.447   2.940
  396    QG   PRO  40           QG       PRO  40  -9.237  -2.422   3.812
  397    QD   PRO  40           QD       PRO  40  -8.027  -0.939   2.538
  398    H    ASP  41           HN       ASP  41 -10.547   0.105   3.979
  399    HA   ASP  41           HA       ASP  41 -12.500   2.349   3.556
  400   1HB   ASP  41           2HB      ASP  41 -13.398   1.077   5.362
  401   2HB   ASP  41           3HB      ASP  41 -11.809   0.730   6.030
  402    QB   ASP  41           QB       ASP  41 -12.604   0.903   5.696
  403    H    SER  42           HN       SER  42  -9.973   1.647   5.867
  404    HA   SER  42           HA       SER  42  -8.427   4.017   4.931
  405   1HB   SER  42           2HB      SER  42  -7.898   4.461   7.348
  406   2HB   SER  42           3HB      SER  42  -9.649   4.510   7.073
  407    HG   SER  42           HG       SER  42  -9.890   2.521   7.881
  408    QB   SER  42           QB       SER  42  -8.774   4.486   7.210
  409    H    VAL  43           HN       VAL  43  -6.198   3.821   6.213
  410    HA   VAL  43           HA       VAL  43  -5.162   1.045   5.736
  411    HB   VAL  43           HB       VAL  43  -4.208   2.873   4.280
  412   1HG1  VAL  43           1HG      VAL  43  -4.479   4.745   5.869
  413   2HG1  VAL  43           2HG      VAL  43  -3.239   4.051   6.912
  414   3HG1  VAL  43           3HG      VAL  43  -2.819   4.632   5.304
  415   1HG2  VAL  43           2HG      VAL  43  -2.778   0.944   4.860
  416   2HG2  VAL  43           3HG      VAL  43  -1.819   2.413   4.717
  417   3HG2  VAL  43           1HG      VAL  43  -2.223   1.777   6.306
  418    QG1  VAL  43           QG1      VAL  43  -3.512   4.476   6.028
  419    QG2  VAL  43           QG2      VAL  43  -2.273   1.712   5.294
  420    QQG  VAL  43           QQG      VAL  43  -2.893   3.094   5.662
  421    H    THR  44           HN       THR  44  -6.606   2.214   7.944
  422    HA   THR  44           HA       THR  44  -4.622   1.833  10.147
  423    HB   THR  44           HB       THR  44  -6.764   3.177  11.317
  424    HG1  THR  44          1HG       THR  44  -7.787   3.472   9.302
  425   1HG2  THR  44           3HG      THR  44  -4.521   4.502   9.712
  426   2HG2  THR  44           1HG      THR  44  -5.412   5.237  11.040
  427   3HG2  THR  44           2HG      THR  44  -4.314   3.895  11.353
  428    QG2  THR  44           QG2      THR  44  -4.749   4.545  10.701
  429    H    GLN  45           HN       GLN  45  -7.989   1.388   9.115
  430    HA   GLN  45           HA       GLN  45  -8.376  -0.739  11.151
  431   1HB   GLN  45           2HB      GLN  45 -10.304   0.135   8.957
  432   2HB   GLN  45           3HB      GLN  45 -10.694  -0.792  10.395
  433   1HG   GLN  45           2HG      GLN  45  -9.918   1.255  11.750
  434   2HG   GLN  45           3HG      GLN  45  -9.935   2.141  10.228
  435   1HE2  GLN  45           2HE      GLN  45 -13.482   2.344  10.102
  436   2HE2  GLN  45           1HE      GLN  45 -12.033   2.613   9.257
  437    QB   GLN  45           QB       GLN  45 -10.498  -0.329   9.677
  438    QG   GLN  45           QG       GLN  45  -9.926   1.698  10.989
  439    QE2  GLN  45           QE2      GLN  45 -12.758   2.478   9.680
  440    H    ILE  46           HN       ILE  46  -6.357  -1.484   9.687
  441    HA   ILE  46           HA       ILE  46  -7.420  -3.231   7.501
  442    HB   ILE  46           HB       ILE  46  -4.669  -2.094   7.998
  443   1HG1  ILE  46           2HG      ILE  46  -6.365  -0.703   6.860
  444   2HG1  ILE  46           3HG      ILE  46  -4.856  -0.975   5.987
  445   1HG2  ILE  46           1HG      ILE  46  -5.428  -4.241   6.018
  446   2HG2  ILE  46           2HG      ILE  46  -3.886  -3.389   6.032
  447   3HG2  ILE  46           3HG      ILE  46  -4.331  -4.428   7.376
  448   1HD1  ILE  46           2HD      ILE  46  -7.405  -2.533   5.610
  449   2HD1  ILE  46           3HD      ILE  46  -6.790  -1.281   4.536
  450   3HD1  ILE  46           1HD      ILE  46  -5.895  -2.784   4.732
  451    QG1  ILE  46           QG1      ILE  46  -5.610  -0.839   6.424
  452    QG2  ILE  46           QG2      ILE  46  -4.549  -4.019   6.475
  453    QD1  ILE  46           QD1      ILE  46  -6.696  -2.199   4.959
  454    H    LYS  47           HN       LYS  47  -7.092  -5.371   7.536
  455    HA   LYS  47           HA       LYS  47  -5.742  -6.565   9.910
  456   1HB   LYS  47           2HB      LYS  47  -7.752  -8.398   9.166
  457   2HB   LYS  47           3HB      LYS  47  -7.720  -7.398  10.601
  458   1HG   LYS  47           2HG      LYS  47  -9.823  -6.980   9.546
  459   2HG   LYS  47           3HG      LYS  47  -8.841  -5.562   9.272
  460   1HD   LYS  47           2HD      LYS  47 -10.034  -6.134   7.223
  461   2HD   LYS  47           3HD      LYS  47  -8.323  -6.386   6.962
  462   1HE   LYS  47           2HE      LYS  47  -9.890  -8.734   7.938
  463   2HE   LYS  47           3HE      LYS  47 -10.171  -8.210   6.282
  464   1HZ   LYS  47           3HZ      LYS  47  -7.421  -8.217   6.641
  465   2HZ   LYS  47           1HZ      LYS  47  -7.997  -9.676   7.296
  466   3HZ   LYS  47           2HZ      LYS  47  -8.337  -9.255   5.688
  467    QB   LYS  47           QB       LYS  47  -7.737  -7.899   9.884
  468    QG   LYS  47           QG       LYS  47  -9.332  -6.270   9.409
  469    QD   LYS  47           QD       LYS  47  -9.179  -6.260   7.091
  470    QE   LYS  47           QE       LYS  47 -10.031  -8.471   7.109
  471    QZ   LYS  47           QZ       LYS  47  -7.918  -9.049   6.542
  472    HA   PRO  48           HA       PRO  48  -3.765  -9.355   7.010
  473   1HB   PRO  48           2HB      PRO  48  -4.211 -11.579   8.917
  474   2HB   PRO  48           3HB      PRO  48  -2.693 -10.887   8.334
  475   1HG   PRO  48           2HG      PRO  48  -3.605 -10.499  10.894
  476   2HG   PRO  48           3HG      PRO  48  -2.588  -9.325  10.052
  477   1HD   PRO  48           2HD      PRO  48  -5.543  -9.234  10.573
  478   2HD   PRO  48           3HD      PRO  48  -4.377  -7.901  10.455
  479    QB   PRO  48           QB       PRO  48  -3.452 -11.233   8.625
  480    QG   PRO  48           QG       PRO  48  -3.097  -9.911  10.473
  481    QD   PRO  48           QD       PRO  48  -4.960  -8.567  10.515
  482    H    HIS  49           HN       HIS  49  -4.342 -10.952   5.508
  483    HA   HIS  49           HA       HIS  49  -5.701 -12.480   4.342
  484   1HB   HIS  49           2HB      HIS  49  -7.716 -12.319   6.592
  485   2HB   HIS  49           3HB      HIS  49  -7.591 -13.542   5.363
  486    HD1  HIS  49           HD1      HIS  49  -7.563 -14.837   7.818
  487    HD2  HIS  49           HD2      HIS  49  -4.007 -13.187   6.568
  488    HE1  HIS  49           HE1      HIS  49  -5.754 -15.953   9.156
  489    QB   HIS  49           QB       HIS  49  -7.653 -12.930   5.977
  490    H    SER  50           HN       SER  50  -5.661 -10.418   3.199
  491    HA   SER  50           HA       SER  50  -7.947  -9.806   1.777
  492   1HB   SER  50           2HB      SER  50  -8.534  -7.497   2.863
  493   2HB   SER  50           3HB      SER  50  -9.147  -8.939   3.689
  494    HG   SER  50           HG       SER  50  -6.526  -8.327   4.325
  495    QB   SER  50           QB       SER  50  -8.840  -8.219   3.277
  496    H    THR  51           HN       THR  51  -7.752  -7.551   0.668
  497    HA   THR  51           HA       THR  51  -4.866  -6.745   0.536
  498    HB   THR  51           HB       THR  51  -5.456  -6.229  -1.950
  499    HG1  THR  51          1HG       THR  51  -7.678  -6.214  -1.664
  500   1HG2  THR  51           1HG      THR  51  -4.344  -8.440  -1.327
  501   2HG2  THR  51           2HG      THR  51  -5.950  -9.134  -1.162
  502   3HG2  THR  51           3HG      THR  51  -5.390  -8.534  -2.715
  503    QG2  THR  51           QG2      THR  51  -5.228  -8.703  -1.735
  504    H    VAL  52           HN       VAL  52  -4.557  -4.607  -0.435
  505    HA   VAL  52           HA       VAL  52  -6.747  -2.681   0.274
  506    HB   VAL  52           HB       VAL  52  -3.731  -2.186   0.215
  507   1HG1  VAL  52           1HG      VAL  52  -5.098  -0.171  -0.282
  508   2HG1  VAL  52           2HG      VAL  52  -6.021  -0.432   1.193
  509   3HG1  VAL  52           3HG      VAL  52  -4.313  -0.028   1.287
  510   1HG2  VAL  52           3HG      VAL  52  -5.612  -2.540   2.573
  511   2HG2  VAL  52           1HG      VAL  52  -4.331  -3.646   2.100
  512   3HG2  VAL  52           2HG      VAL  52  -3.929  -2.042   2.700
  513    QG1  VAL  52           QG1      VAL  52  -5.144  -0.211   0.733
  514    QG2  VAL  52           QG2      VAL  52  -4.624  -2.743   2.458
  515    QQG  VAL  52           QQG      VAL  52  -4.883  -1.477   1.595
  516    H    ASP  53           HN       ASP  53  -7.198  -1.155  -1.368
  517    HA   ASP  53           HA       ASP  53  -5.780  -1.625  -3.968
  518   1HB   ASP  53           2HB      ASP  53  -8.688  -0.870  -3.523
  519   2HB   ASP  53           3HB      ASP  53  -7.915  -1.020  -5.085
  520    QB   ASP  53           QB       ASP  53  -8.301  -0.945  -4.304
  521    H    PHE  54           HN       PHE  54  -5.208   0.221  -5.120
  522    HA   PHE  54           HA       PHE  54  -6.204   2.827  -4.342
  523   1HB   PHE  54           2HB      PHE  54  -4.247   3.769  -3.367
  524   2HB   PHE  54           3HB      PHE  54  -4.547   2.272  -2.501
  525    HD1  PHE  54          2HD       PHE  54  -3.345   0.172  -4.135
  526    HD2  PHE  54          1HD       PHE  54  -2.013   4.172  -3.531
  527    HE1  PHE  54          2HE       PHE  54  -1.025  -0.543  -4.470
  528    HE2  PHE  54          1HE       PHE  54   0.301   3.452  -3.861
  529    HZ   PHE  54           HZ       PHE  54   0.810   1.091  -4.339
  530    QB   PHE  54           QB       PHE  54  -4.397   3.021  -2.934
  531    QR   PHE  54           QR       PHE  54  -1.520   1.813  -4.000
  532    NH1  ARG  55           NH1      ARG  55  -8.077   6.519  -4.730
  533    NH2  ARG  55           NH2      ARG  55  -9.520   7.352  -6.295
  534    H    ARG  55           HN       ARG  55  -5.078   4.589  -5.553
  535    HA   ARG  55           HA       ARG  55  -4.301   3.508  -8.230
  536   1HB   ARG  55           2HB      ARG  55  -5.142   6.324  -7.452
  537   2HB   ARG  55           3HB      ARG  55  -4.886   5.738  -9.080
  538   1HG   ARG  55           2HG      ARG  55  -6.804   4.413  -9.079
  539   2HG   ARG  55           3HG      ARG  55  -6.859   4.312  -7.322
  540   1HD   ARG  55           2HD      ARG  55  -7.398   6.838  -8.931
  541   2HD   ARG  55           3HD      ARG  55  -8.635   5.811  -8.191
  542    HE   ARG  55           HE       ARG  55  -6.504   7.216  -6.573
  543   1HH1  ARG  55           2HH      ARG  55  -7.140   6.221  -4.513
  544   2HH1  ARG  55           1HH      ARG  55  -8.773   6.518  -4.005
  545   1HH2  ARG  55           2HH      ARG  55  -9.670   7.663  -7.234
  546   2HH2  ARG  55           1HH      ARG  55 -10.272   7.392  -5.638
  547    QB   ARG  55           QB       ARG  55  -5.014   6.032  -8.266
  548    QG   ARG  55           QG       ARG  55  -6.831   4.362  -8.201
  549    QD   ARG  55           QD       ARG  55  -8.016   6.325  -8.561
  550    QH1  ARG  55           QH1      ARG  55  -7.957   6.370  -4.260
  551    QH2  ARG  55           QH2      ARG  55  -9.971   7.528  -6.436
  552    H    VAL  56           HN       VAL  56  -2.998   5.662  -9.191
  553    HA   VAL  56           HA       VAL  56  -0.648   5.957  -7.423
  554    HB   VAL  56           HB       VAL  56   0.572   5.936  -9.672
  555   1HG1  VAL  56           3HG      VAL  56   0.529   4.003  -8.083
  556   2HG1  VAL  56           1HG      VAL  56  -0.934   3.425  -8.871
  557   3HG1  VAL  56           2HG      VAL  56   0.584   3.472  -9.760
  558   1HG2  VAL  56           1HG      VAL  56  -1.429   6.342 -11.083
  559   2HG2  VAL  56           2HG      VAL  56  -0.603   4.868 -11.536
  560   3HG2  VAL  56           3HG      VAL  56  -2.074   4.783 -10.587
  561    QG1  VAL  56           QG1      VAL  56   0.060   3.633  -8.904
  562    QG2  VAL  56           QG2      VAL  56  -1.368   5.331 -11.069
  563    QQG  VAL  56           QQG      VAL  56  -0.655   4.482  -9.987
  564    H    LYS  57           HN       LYS  57  -1.986   7.945  -6.864
  565    HA   LYS  57           HA       LYS  57  -2.777  10.165  -7.849
  566   1HB   LYS  57           2HB      LYS  57  -0.158  10.079  -6.329
  567   2HB   LYS  57           3HB      LYS  57  -0.894  11.601  -6.757
  568   1HG   LYS  57           2HG      LYS  57  -2.208   9.429  -5.106
  569   2HG   LYS  57           3HG      LYS  57  -1.479  10.884  -4.461
  570   1HD   LYS  57           2HD      LYS  57  -3.899  10.795  -6.309
  571   2HD   LYS  57           3HD      LYS  57  -3.919  11.123  -4.591
  572   1HE   LYS  57           2HE      LYS  57  -3.993  13.275  -5.462
  573   2HE   LYS  57           3HE      LYS  57  -2.279  13.064  -5.138
  574   1HZ   LYS  57           2HZ      LYS  57  -2.836  12.114  -7.732
  575   2HZ   LYS  57           3HZ      LYS  57  -3.473  13.687  -7.566
  576   3HZ   LYS  57           1HZ      LYS  57  -1.831  13.393  -7.235
  577    QB   LYS  57           QB       LYS  57  -0.527  10.840  -6.544
  578    QG   LYS  57           QG       LYS  57  -1.843  10.156  -4.783
  579    QD   LYS  57           QD       LYS  57  -3.909  10.959  -5.449
  580    QE   LYS  57           QE       LYS  57  -3.136  13.170  -5.300
  581    QZ   LYS  57           QZ       LYS  57  -2.713  13.065  -7.511
  582    H    ALA  58           HN       ALA  58   0.644   9.630  -8.355
  583    HA   ALA  58           HA       ALA  58   1.518   9.585 -10.693
  584   1HB   ALA  58           1HB      ALA  58   0.119  12.286 -10.845
  585   2HB   ALA  58           2HB      ALA  58   1.194  11.628 -12.076
  586   3HB   ALA  58           3HB      ALA  58  -0.337  10.834 -11.733
  587    QB   ALA  58           QB       ALA  58   0.325  11.583 -11.551
  588    H    GLU  59           HN       GLU  59   1.206  12.656  -9.028
  589    HA   GLU  59           HA       GLU  59   3.424  14.031  -9.174
  590   1HB   GLU  59           2HB      GLU  59   2.332  13.065  -6.508
  591   2HB   GLU  59           3HB      GLU  59   3.443  14.412  -6.687
  592   1HG   GLU  59           2HG      GLU  59   1.495  15.638  -6.767
  593   2HG   GLU  59           3HG      GLU  59   1.521  15.175  -8.460
  594    QB   GLU  59           QB       GLU  59   2.888  13.739  -6.597
  595    QG   GLU  59           QG       GLU  59   1.508  15.406  -7.614
  596    H    ASP  60           HN       ASP  60   3.571  11.354  -6.839
  597    HA   ASP  60           HA       ASP  60   6.377  10.830  -7.644
  598   1HB   ASP  60           2HB      ASP  60   6.547  12.222  -5.613
  599   2HB   ASP  60           3HB      ASP  60   5.427  11.162  -4.765
  600    QB   ASP  60           QB       ASP  60   5.987  11.692  -5.189
  601    H    ILE  61           HN       ILE  61   4.868   9.269  -8.732
  602    HA   ILE  61           HA       ILE  61   3.945   7.068  -7.025
  603    HB   ILE  61           HB       ILE  61   3.962   7.481 -10.027
  604   1HG1  ILE  61           2HG      ILE  61   2.484   8.976  -8.848
  605   2HG1  ILE  61           3HG      ILE  61   1.501   7.752  -9.632
  606   1HG2  ILE  61           3HG      ILE  61   4.040   5.058  -9.507
  607   2HG2  ILE  61           1HG      ILE  61   2.657   5.243  -8.437
  608   3HG2  ILE  61           2HG      ILE  61   2.479   5.519 -10.166
  609   1HD1  ILE  61           1HD      ILE  61   1.405   6.526  -7.436
  610   2HD1  ILE  61           2HD      ILE  61   2.296   7.852  -6.694
  611   3HD1  ILE  61           3HD      ILE  61   0.702   8.131  -7.341
  612    QG1  ILE  61           QG1      ILE  61   1.993   8.364  -9.240
  613    QG2  ILE  61           QG2      ILE  61   3.059   5.274  -9.370
  614    QD1  ILE  61           QD1      ILE  61   1.468   7.503  -7.157
  615    H    LEU  62           HN       LEU  62   6.620   7.572  -9.262
  616    HA   LEU  62           HA       LEU  62   7.597   4.977  -9.535
  617   1HB   LEU  62           2HB      LEU  62   8.726   6.992 -10.455
  618   2HB   LEU  62           3HB      LEU  62   9.234   7.439  -8.839
  619    HG   LEU  62           HG       LEU  62  10.374   5.104  -8.749
  620   1HD1  LEU  62           3HD      LEU  62   9.996   5.412 -11.753
  621   2HD1  LEU  62           1HD      LEU  62  11.010   4.206 -10.969
  622   3HD1  LEU  62           2HD      LEU  62   9.263   4.161 -10.753
  623   1HD2  LEU  62           3HD      LEU  62  11.369   7.253 -10.659
  624   2HD2  LEU  62           1HD      LEU  62  11.587   7.246  -8.909
  625   3HD2  LEU  62           2HD      LEU  62  12.370   6.020  -9.899
  626    QB   LEU  62           QB       LEU  62   8.980   7.216  -9.647
  627    QD1  LEU  62           QD1      LEU  62  10.089   4.593 -11.158
  628    QD2  LEU  62           QD2      LEU  62  11.776   6.840  -9.822
  629    QQD  LEU  62           QQD      LEU  62  10.933   5.716 -10.490
  630    H    ALA  63           HN       ALA  63   8.155   7.195  -6.853
  631    HA   ALA  63           HA       ALA  63   9.648   5.454  -5.170
  632   1HB   ALA  63           2HB      ALA  63   9.512   7.898  -4.832
  633   2HB   ALA  63           3HB      ALA  63   7.815   7.742  -4.391
  634   3HB   ALA  63           1HB      ALA  63   9.062   7.027  -3.371
  635    QB   ALA  63           QB       ALA  63   8.797   7.556  -4.198
  636    H    VAL  64           HN       VAL  64   6.350   5.486  -5.914
  637    HA   VAL  64           HA       VAL  64   5.479   4.049  -3.486
  638    HB   VAL  64           HB       VAL  64   3.968   4.772  -6.033
  639   1HG1  VAL  64           2HG      VAL  64   2.987   2.858  -4.783
  640   2HG1  VAL  64           3HG      VAL  64   2.955   3.841  -3.322
  641   3HG1  VAL  64           1HG      VAL  64   1.964   4.286  -4.708
  642   1HG2  VAL  64           3HG      VAL  64   4.788   6.726  -4.731
  643   2HG2  VAL  64           1HG      VAL  64   3.039   6.588  -4.675
  644   3HG2  VAL  64           2HG      VAL  64   4.006   6.083  -3.294
  645    QG1  VAL  64           QG1      VAL  64   2.635   3.661  -4.271
  646    QG2  VAL  64           QG2      VAL  64   3.944   6.466  -4.233
  647    QQG  VAL  64           QQG      VAL  64   3.290   5.064  -4.252
  648    H    GLU  65           HN       GLU  65   5.826   3.500  -6.994
  649    HA   GLU  65           HA       GLU  65   5.104   0.694  -6.828
  650   1HB   GLU  65           2HB      GLU  65   7.028   1.866  -8.861
  651   2HB   GLU  65           3HB      GLU  65   5.898   0.535  -9.076
  652   1HG   GLU  65           2HG      GLU  65   4.118   2.451  -8.464
  653   2HG   GLU  65           3HG      GLU  65   5.388   3.482  -9.115
  654    QB   GLU  65           QB       GLU  65   6.463   1.200  -8.968
  655    QG   GLU  65           QG       GLU  65   4.753   2.967  -8.789
  656    H    ASP  66           HN       ASP  66   7.864   2.632  -6.397
  657    HA   ASP  66           HA       ASP  66   9.965   0.659  -6.202
  658   1HB   ASP  66           2HB      ASP  66  10.302   3.058  -6.697
  659   2HB   ASP  66           3HB      ASP  66   9.616   3.488  -5.144
  660    QB   ASP  66           QB       ASP  66   9.959   3.273  -5.921
  661    H    PHE  67           HN       PHE  67   8.482   2.646  -3.655
  662    HA   PHE  67           HA       PHE  67   9.287   1.575  -1.315
  663   1HB   PHE  67           2HB      PHE  67   7.484   3.234  -1.422
  664   2HB   PHE  67           3HB      PHE  67   6.374   2.034  -2.067
  665    HD1  PHE  67          1HD       PHE  67   5.455   0.274  -0.632
  666    HD2  PHE  67          2HD       PHE  67   8.122   3.193   0.977
  667    HE1  PHE  67          1HE       PHE  67   4.892  -0.454   1.641
  668    HE2  PHE  67          2HE       PHE  67   7.567   2.433   3.250
  669    HZ   PHE  67           HZ       PHE  67   5.984   0.588   3.582
  670    QB   PHE  67           QB       PHE  67   6.929   2.634  -1.744
  671    QR   PHE  67           QR       PHE  67   6.509   1.362   1.309
  672    H    LEU  68           HN       LEU  68   6.707   0.044  -3.189
  673    HA   LEU  68           HA       LEU  68   6.185  -2.224  -1.661
  674   1HB   LEU  68           2HB      LEU  68   6.467  -2.056  -4.682
  675   2HB   LEU  68           3HB      LEU  68   5.676  -3.376  -3.832
  676    HG   LEU  68           HG       LEU  68   4.831  -0.462  -3.593
  677   1HD1  LEU  68           1HD      LEU  68   3.670  -2.715  -5.267
  678   2HD1  LEU  68           2HD      LEU  68   2.962  -1.113  -5.088
  679   3HD1  LEU  68           3HD      LEU  68   4.514  -1.308  -5.895
  680   1HD2  LEU  68           3HD      LEU  68   3.503  -3.072  -2.755
  681   2HD2  LEU  68           1HD      LEU  68   4.202  -1.883  -1.663
  682   3HD2  LEU  68           2HD      LEU  68   2.780  -1.475  -2.605
  683    QB   LEU  68           QB       LEU  68   6.071  -2.716  -4.257
  684    QD1  LEU  68           QD1      LEU  68   3.715  -1.712  -5.417
  685    QD2  LEU  68           QD2      LEU  68   3.496  -2.144  -2.341
  686    QQD  LEU  68           QQD      LEU  68   3.606  -1.928  -3.879
  687    H    GLU  69           HN       GLU  69   8.749  -1.891  -4.042
  688    HA   GLU  69           HA       GLU  69   9.816  -4.549  -3.632
  689   1HB   GLU  69           2HB      GLU  69  10.077  -2.550  -5.552
  690   2HB   GLU  69           3HB      GLU  69  11.646  -2.521  -4.769
  691   1HG   GLU  69           2HG      GLU  69  11.874  -4.147  -6.500
  692   2HG   GLU  69           3HG      GLU  69  11.592  -5.124  -5.065
  693    QB   GLU  69           QB       GLU  69  10.861  -2.536  -5.161
  694    QG   GLU  69           QG       GLU  69  11.733  -4.635  -5.783
  695    H    GLN  70           HN       GLN  70  10.910  -1.288  -2.665
  696    HA   GLN  70           HA       GLN  70  13.259  -2.016  -1.310
  697   1HB   GLN  70           2HB      GLN  70  11.220   0.110  -0.617
  698   2HB   GLN  70           3HB      GLN  70  12.687  -0.108   0.329
  699   1HG   GLN  70           2HG      GLN  70  13.907  -0.011  -1.994
  700   2HG   GLN  70           3HG      GLN  70  12.419   0.739  -2.556
  701   1HE2  GLN  70           2HE      GLN  70  13.193   3.829  -1.071
  702   2HE2  GLN  70           1HE      GLN  70  12.205   2.948  -2.140
  703    QB   GLN  70           QB       GLN  70  11.954   0.001  -0.144
  704    QG   GLN  70           QG       GLN  70  13.163   0.364  -2.275
  705    QE2  GLN  70           QE2      GLN  70  12.699   3.389  -1.605
  706    H    ASN  71           HN       ASN  71   9.940  -2.342  -0.182
  707    HA   ASN  71           HA       ASN  71  11.007  -3.880   2.148
  708   1HB   ASN  71           2HB      ASN  71   8.203  -3.095   2.384
  709   2HB   ASN  71           3HB      ASN  71   9.546  -2.780   3.462
  710   1HD2  ASN  71           2HD      ASN  71   8.173   0.206   1.245
  711   2HD2  ASN  71           1HD      ASN  71   7.362  -1.269   1.382
  712    QB   ASN  71           QB       ASN  71   8.875  -2.938   2.924
  713    QD2  ASN  71           QD2      ASN  71   7.767  -0.531   1.314
  714    H    GLU  72           HN       GLU  72  10.715  -5.006  -0.402
  715    HA   GLU  72           HA       GLU  72   9.210  -6.425  -1.668
  716   1HB   GLU  72           2HB      GLU  72  10.489  -7.921   0.628
  717   2HB   GLU  72           3HB      GLU  72   9.808  -8.694  -0.793
  718   1HG   GLU  72           2HG      GLU  72  11.355  -7.322  -2.227
  719   2HG   GLU  72           3HG      GLU  72  12.091  -6.686  -0.761
  720    QB   GLU  72           QB       GLU  72  10.149  -8.307  -0.082
  721    QG   GLU  72           QG       GLU  72  11.723  -7.004  -1.494
  722    H    LEU  73           HN       LEU  73   7.196  -5.391  -0.982
  723    HA   LEU  73           HA       LEU  73   5.575  -7.019   0.913
  724   1HB   LEU  73           2HB      LEU  73   5.410  -4.292  -0.133
  725   2HB   LEU  73           3HB      LEU  73   3.890  -5.138  -0.390
  726    HG   LEU  73           HG       LEU  73   3.961  -5.828   2.036
  727   1HD1  LEU  73           3HD      LEU  73   6.246  -3.840   2.141
  728   2HD1  LEU  73           1HD      LEU  73   5.449  -4.548   3.541
  729   3HD1  LEU  73           2HD      LEU  73   6.361  -5.571   2.442
  730   1HD2  LEU  73           3HD      LEU  73   4.000  -2.838   1.499
  731   2HD2  LEU  73           1HD      LEU  73   2.603  -3.896   1.319
  732   3HD2  LEU  73           2HD      LEU  73   3.292  -3.614   2.913
  733    QB   LEU  73           QB       LEU  73   4.650  -4.715  -0.262
  734    QD1  LEU  73           QD1      LEU  73   6.018  -4.653   2.708
  735    QD2  LEU  73           QD2      LEU  73   3.298  -3.449   1.910
  736    QQD  LEU  73           QQD      LEU  73   4.658  -4.051   2.309
  737    H    GLN  74           HN       GLN  74   3.247  -7.501  -0.088
  738    HA   GLN  74           HA       GLN  74   3.817  -8.836  -2.709
  739   1HB   GLN  74           2HB      GLN  74   1.602  -9.381  -0.706
  740   2HB   GLN  74           3HB      GLN  74   1.851 -10.265  -2.200
  741   1HG   GLN  74           2HG      GLN  74   4.174 -10.871  -1.321
  742   2HG   GLN  74           3HG      GLN  74   3.674 -10.186   0.227
  743   1HE2  GLN  74           2HE      GLN  74   1.588 -12.933   1.060
  744   2HE2  GLN  74           1HE      GLN  74   2.169 -11.399   1.511
  745    QB   GLN  74           QB       GLN  74   1.727  -9.822  -1.453
  746    QG   GLN  74           QG       GLN  74   3.923 -10.528  -0.547
  747    QE2  GLN  74           QE2      GLN  74   1.879 -12.166   1.285
  748    OH   TYR  75           OH       TYR  75   7.237  -6.660  -7.333
  749    H    TYR  75           HN       TYR  75   3.276  -7.411  -4.243
  750    HA   TYR  75           HA       TYR  75   0.637  -6.021  -4.052
  751   1HB   TYR  75           2HB      TYR  75   1.669  -4.481  -5.811
  752   2HB   TYR  75           3HB      TYR  75   2.422  -4.408  -4.223
  753    HD1  TYR  75           HD1      TYR  75   4.652  -5.399  -3.842
  754    HD2  TYR  75           HD2      TYR  75   2.865  -5.558  -7.703
  755    HE1  TYR  75           HE1      TYR  75   6.789  -6.099  -4.803
  756    HE2  TYR  75           HE2      TYR  75   5.015  -6.252  -8.658
  757    HH   TYR  75           HH       TYR  75   7.967  -6.123  -6.963
  758    QB   TYR  75           QB       TYR  75   2.046  -4.445  -5.016
  759    QR   TYR  75           QR       TYR  75   4.830  -5.827  -6.251
  760    H    GLU  76           HN       GLU  76  -0.731  -6.054  -5.803
  761    HA   GLU  76           HA       GLU  76  -0.166  -8.082  -7.939
  762   1HB   GLU  76           2HB      GLU  76  -1.858  -8.986  -6.378
  763   2HB   GLU  76           3HB      GLU  76  -2.786  -7.497  -6.481
  764   1HG   GLU  76           2HG      GLU  76  -2.973  -7.996  -9.031
  765   2HG   GLU  76           3HG      GLU  76  -2.395  -9.608  -8.631
  766    QB   GLU  76           QB       GLU  76  -2.321  -8.242  -6.429
  767    QG   GLU  76           QG       GLU  76  -2.684  -8.802  -8.831
  768    H    VAL  77           HN       VAL  77  -1.076  -7.531  -9.982
  769    HA   VAL  77           HA       VAL  77  -2.040  -4.717 -10.188
  770    HB   VAL  77           HB       VAL  77  -0.175  -6.091 -12.167
  771   1HG1  VAL  77           3HG      VAL  77  -1.084  -3.194 -11.868
  772   2HG1  VAL  77           1HG      VAL  77   0.050  -3.788 -13.080
  773   3HG1  VAL  77           2HG      VAL  77  -1.631  -4.311 -13.116
  774   1HG2  VAL  77           1HG      VAL  77   0.435  -4.001 -10.032
  775   2HG2  VAL  77           2HG      VAL  77   0.985  -5.673 -10.006
  776   3HG2  VAL  77           3HG      VAL  77   1.578  -4.571 -11.242
  777    QG1  VAL  77           QG1      VAL  77  -0.889  -3.764 -12.688
  778    QG2  VAL  77           QG2      VAL  77   0.999  -4.749 -10.427
  779    QQG  VAL  77           QQG      VAL  77   0.056  -4.257 -11.557
  780    H    LEU  78           HN       LEU  78  -3.859  -4.554 -11.308
  781    HA   LEU  78           HA       LEU  78  -4.799  -6.846 -12.957
  782   1HB   LEU  78           2HB      LEU  78  -6.458  -5.059 -11.134
  783   2HB   LEU  78           3HB      LEU  78  -7.111  -6.289 -12.205
  784    HG   LEU  78           HG       LEU  78  -5.212  -6.803  -9.882
  785   1HD1  LEU  78           3HD      LEU  78  -8.179  -7.376 -10.238
  786   2HD1  LEU  78           1HD      LEU  78  -7.206  -7.897  -8.868
  787   3HD1  LEU  78           2HD      LEU  78  -7.482  -6.182  -9.148
  788   1HD2  LEU  78           2HD      LEU  78  -6.646  -8.729 -11.756
  789   2HD2  LEU  78           3HD      LEU  78  -4.908  -8.445 -11.711
  790   3HD2  LEU  78           1HD      LEU  78  -5.709  -9.196 -10.339
  791    QB   LEU  78           QB       LEU  78  -6.784  -5.674 -11.669
  792    QD1  LEU  78           QD1      LEU  78  -7.622  -7.152  -9.418
  793    QD2  LEU  78           QD2      LEU  78  -5.754  -8.791 -11.269
  794    QQD  LEU  78           QQD      LEU  78  -6.689  -7.971 -10.343
  795    H    ILE  79           HN       ILE  79  -4.412  -6.004 -14.890
  796    HA   ILE  79           HA       ILE  79  -4.331  -3.422 -15.786
  797    HB   ILE  79           HB       ILE  79  -4.909  -4.462 -18.013
  798   1HG1  ILE  79           2HG      ILE  79  -5.074  -7.043 -16.431
  799   2HG1  ILE  79           3HG      ILE  79  -6.489  -6.189 -17.035
  800   1HG2  ILE  79           3HG      ILE  79  -2.604  -4.387 -17.127
  801   2HG2  ILE  79           1HG      ILE  79  -2.882  -5.901 -16.274
  802   3HG2  ILE  79           2HG      ILE  79  -2.867  -5.869 -18.033
  803   1HD1  ILE  79           2HD      ILE  79  -5.607  -6.380 -19.351
  804   2HD1  ILE  79           3HD      ILE  79  -4.208  -7.259 -18.738
  805   3HD1  ILE  79           1HD      ILE  79  -5.814  -7.962 -18.607
  806    QG1  ILE  79           QG1      ILE  79  -5.781  -6.616 -16.733
  807    QG2  ILE  79           QG2      ILE  79  -2.784  -5.386 -17.145
  808    QD1  ILE  79           QD1      ILE  79  -5.210  -7.201 -18.899
  809    H    ASN  80           HN       ASN  80  -6.062  -2.396 -14.511
  810    HA   ASN  80           HA       ASN  80  -8.824  -2.767 -15.519
  811   1HB   ASN  80           2HB      ASN  80  -7.546  -1.206 -13.268
  812   2HB   ASN  80           3HB      ASN  80  -9.172  -0.795 -13.802
  813   1HD2  ASN  80           2HD      ASN  80  -8.577  -4.227 -11.710
  814   2HD2  ASN  80           1HD      ASN  80  -7.246  -3.264 -12.149
  815    QB   ASN  80           QB       ASN  80  -8.358  -1.000 -13.535
  816    QD2  ASN  80           QD2      ASN  80  -7.912  -3.745 -11.929
  817    H    ASN  81           HN       ASN  81  -7.184  -2.056 -17.469
  818    HA   ASN  81           HA       ASN  81  -8.280   0.437 -18.421
  819   1HB   ASN  81           2HB      ASN  81  -5.977   1.492 -18.777
  820   2HB   ASN  81           3HB      ASN  81  -6.536   1.470 -17.111
  821   1HD2  ASN  81                 ASN  81  -3.832  -1.513 -17.867
  822   2HD2  ASN  81           1HD      ASN  81  -5.207  -1.372 -18.857
  823    QB   ASN  81           QB       ASN  81  -6.256   1.481 -17.944
  824    QD2  ASN  81           QD2      ASN  81  -4.518  -1.443 -18.362
   
  Start of MODEL          15
 Raw file had 824 H/Q atoms
  Start of MODEL   15
    1   1H    HIS   1           HN1      HIS   1  10.210  12.143 -10.263
    2   2H    HIS   1           HN2      HIS   1   9.461  13.585  -9.951
    3   3H    HIS   1           HN3      HIS   1   9.611  13.053 -11.511
    4    HA   HIS   1           HA       HIS   1  11.537  14.060 -11.747
    5   1HB   HIS   1           2HB      HIS   1  11.488  14.748  -8.806
    6   2HB   HIS   1           3HB      HIS   1  12.242  15.640 -10.098
    7    HD1  HIS   1           HD1      HIS   1   8.902  14.896  -8.673
    8    HD2  HIS   1           HD2      HIS   1  10.521  17.515 -11.418
    9    HE1  HIS   1           HE1      HIS   1   7.082  16.514  -9.283
   10    QB   HIS   1           QB       HIS   1  11.866  15.194  -9.452
   11    H    HIS   2           HN       HIS   2  12.337  11.726 -11.909
   12    HA   HIS   2           HA       HIS   2  14.229  11.183  -9.655
   13   1HB   HIS   2           2HB      HIS   2  12.243   9.679  -9.778
   14   2HB   HIS   2           3HB      HIS   2  12.779   9.139 -11.342
   15    HD1  HIS   2           HD1      HIS   2  13.755   9.088  -7.779
   16    HD2  HIS   2           HD2      HIS   2  14.876   7.176 -11.249
   17    HE1  HIS   2           HE1      HIS   2  15.311   7.221  -7.104
   18    QB   HIS   2           QB       HIS   2  12.511   9.410 -10.560
   19    H    SER   3           HN       SER   3  14.049   9.296 -12.658
   20    HA   SER   3           HA       SER   3  16.527  10.616 -13.612
   21   1HB   SER   3           2HB      SER   3  16.457   7.634 -13.000
   22   2HB   SER   3           3HB      SER   3  17.837   8.550 -13.631
   23    HG   SER   3           HG       SER   3  17.032   9.927 -11.577
   24    QB   SER   3           QB       SER   3  17.147   8.092 -13.315
   25    H    GLY   4           HN       GLY   4  13.829  10.332 -14.741
   26   1HA   GLY   4           1HA      GLY   4  13.868  10.316 -17.308
   27   2HA   GLY   4           2HA      GLY   4  14.567   8.713 -17.158
   28    QA   GLY   4           QA       GLY   4  14.217   9.515 -17.233
   29    H    GLU   5           HN       GLU   5  11.754  10.454 -15.867
   30    HA   GLU   5           HA       GLU   5  10.108   8.001 -16.239
   31   1HB   GLU   5           2HB      GLU   5   8.403   9.448 -14.961
   32   2HB   GLU   5           3HB      GLU   5   9.845   8.991 -14.068
   33   1HG   GLU   5           2HG      GLU   5  10.123  11.523 -15.591
   34   2HG   GLU   5           3HG      GLU   5   8.926  11.577 -14.308
   35    QB   GLU   5           QB       GLU   5   9.124   9.219 -14.515
   36    QG   GLU   5           QG       GLU   5   9.524  11.550 -14.949
   37    H    HIS   6           HN       HIS   6   7.957   8.246 -17.367
   38    HA   HIS   6           HA       HIS   6   8.023  10.534 -19.316
   39   1HB   HIS   6           2HB      HIS   6   8.769   8.185 -20.142
   40   2HB   HIS   6           3HB      HIS   6   7.080   7.766 -20.039
   41    HD1  HIS   6           HD1      HIS   6   8.365   7.720 -22.708
   42    HD2  HIS   6           HD2      HIS   6   6.507  11.121 -21.332
   43    HE1  HIS   6           HE1      HIS   6   7.797   9.096 -24.741
   44    QB   HIS   6           QB       HIS   6   7.924   7.976 -20.091
   45    H    PHE   7           HN       PHE   7   6.585  10.501 -16.946
   46    HA   PHE   7           HA       PHE   7   4.385  10.386 -16.020
   47   1HB   PHE   7           2HB      PHE   7   4.863  12.669 -17.119
   48   2HB   PHE   7           3HB      PHE   7   3.874  12.112 -18.465
   49    HD1  PHE   7          2HD       PHE   7   3.844  12.999 -14.872
   50    HD2  PHE   7          1HD       PHE   7   1.448  11.896 -18.218
   51    HE1  PHE   7          2HE       PHE   7   1.815  13.474 -13.582
   52    HE2  PHE   7          1HE       PHE   7  -0.577  12.377 -16.924
   53    HZ   PHE   7           HZ       PHE   7  -0.397  13.166 -14.599
   54    QB   PHE   7           QB       PHE   7   4.369  12.390 -17.791
   55    QR   PHE   7           QR       PHE   7   1.633  12.686 -15.899
   56    H    GLU   8           HN       GLU   8   4.626   8.082 -17.161
   57    HA   GLU   8           HA       GLU   8   2.705   7.607 -19.296
   58   1HB   GLU   8           2HB      GLU   8   3.240   5.160 -18.729
   59   2HB   GLU   8           3HB      GLU   8   4.587   6.145 -19.267
   60   1HG   GLU   8           2HG      GLU   8   4.135   6.118 -16.320
   61   2HG   GLU   8           3HG      GLU   8   4.669   4.598 -17.024
   62    QB   GLU   8           QB       GLU   8   3.914   5.652 -18.998
   63    QG   GLU   8           QG       GLU   8   4.402   5.359 -16.671
   64    H    GLY   9           HN       GLY   9   1.332   8.915 -17.483
   65   1HA   GLY   9           1HA      GLY   9  -0.724   8.853 -16.391
   66   2HA   GLY   9           2HA      GLY   9  -0.835   7.154 -16.828
   67    QA   GLY   9           QA       GLY   9  -0.779   8.004 -16.610
   68    H    GLU  10           HN       GLU  10  -1.814   7.180 -14.650
   69    HA   GLU  10           HA       GLU  10   0.162   7.175 -12.448
   70   1HB   GLU  10           2HB      GLU  10  -1.882   6.865 -11.006
   71   2HB   GLU  10           3HB      GLU  10  -1.879   8.354 -11.932
   72   1HG   GLU  10           2HG      GLU  10  -3.498   7.556 -13.466
   73   2HG   GLU  10           3HG      GLU  10  -3.210   5.871 -13.039
   74    QB   GLU  10           QB       GLU  10  -1.880   7.610 -11.470
   75    QG   GLU  10           QG       GLU  10  -3.354   6.714 -13.253
   76    H    LYS  11           HN       LYS  11  -0.270   5.356 -10.807
   77    HA   LYS  11           HA       LYS  11  -0.508   2.761 -12.288
   78   1HB   LYS  11           2HB      LYS  11   1.222   3.418  -9.868
   79   2HB   LYS  11           3HB      LYS  11   1.087   1.840 -10.622
   80   1HG   LYS  11           2HG      LYS  11   1.974   4.264 -12.206
   81   2HG   LYS  11           3HG      LYS  11   3.116   3.286 -11.297
   82   1HD   LYS  11           2HD      LYS  11   2.428   1.277 -12.552
   83   2HD   LYS  11           3HD      LYS  11   1.227   2.217 -13.428
   84   1HE   LYS  11           2HE      LYS  11   3.293   1.903 -14.757
   85   2HE   LYS  11           3HE      LYS  11   2.982   3.602 -14.423
   86   1HZ   LYS  11           1HZ      LYS  11   4.528   2.610 -12.308
   87   2HZ   LYS  11           2HZ      LYS  11   5.253   2.072 -13.742
   88   3HZ   LYS  11           3HZ      LYS  11   4.981   3.732 -13.496
   89    QB   LYS  11           QB       LYS  11   1.155   2.629 -10.244
   90    QG   LYS  11           QG       LYS  11   2.545   3.774 -11.751
   91    QD   LYS  11           QD       LYS  11   1.828   1.746 -12.990
   92    QE   LYS  11           QE       LYS  11   3.138   2.752 -14.590
   93    QZ   LYS  11           QZ       LYS  11   4.921   2.804 -13.182
   94    H    VAL  12           HN       VAL  12  -1.531   1.068 -11.130
   95    HA   VAL  12           HA       VAL  12  -3.039   1.941  -8.699
   96    HB   VAL  12           HB       VAL  12  -4.133   0.073 -10.844
   97   1HG1  VAL  12           3HG      VAL  12  -5.102  -0.124  -8.563
   98   2HG1  VAL  12           1HG      VAL  12  -5.460   1.598  -8.568
   99   3HG1  VAL  12           2HG      VAL  12  -6.285   0.524  -9.695
  100   1HG2  VAL  12           3HG      VAL  12  -4.673   3.049 -10.478
  101   2HG2  VAL  12           1HG      VAL  12  -3.814   2.326 -11.833
  102   3HG2  VAL  12           2HG      VAL  12  -5.526   1.991 -11.599
  103    QG1  VAL  12           QG1      VAL  12  -5.616   0.666  -8.942
  104    QG2  VAL  12           QG2      VAL  12  -4.671   2.455 -11.304
  105    QQG  VAL  12           QQG      VAL  12  -5.143   1.561 -10.122
  106    H    PHE  13           HN       PHE  13  -3.024   0.380  -7.057
  107    HA   PHE  13           HA       PHE  13  -1.744  -2.222  -7.775
  108   1HB   PHE  13           2HB      PHE  13  -1.021  -0.518  -5.366
  109   2HB   PHE  13           3HB      PHE  13  -0.358  -2.107  -5.731
  110    HD1  PHE  13          2HD       PHE  13   0.598  -2.287  -8.276
  111    HD2  PHE  13          1HD       PHE  13   0.256   1.316  -6.044
  112    HE1  PHE  13          2HE       PHE  13   2.284  -1.240  -9.712
  113    HE2  PHE  13          1HE       PHE  13   1.941   2.371  -7.494
  114    HZ   PHE  13           HZ       PHE  13   2.946   1.100  -9.341
  115    QB   PHE  13           QB       PHE  13  -0.690  -1.312  -5.549
  116    QR   PHE  13           QR       PHE  13   1.270   0.040  -7.882
  117    NH1  ARG  14           NH1      ARG  14  -5.918  -8.610  -5.312
  118    NH2  ARG  14           NH2      ARG  14  -6.833  -9.497  -7.206
  119    H    ARG  14           HN       ARG  14  -2.530  -3.958  -6.819
  120    HA   ARG  14           HA       ARG  14  -4.542  -3.579  -4.657
  121   1HB   ARG  14           2HB      ARG  14  -5.351  -4.394  -7.040
  122   2HB   ARG  14           3HB      ARG  14  -4.560  -5.906  -6.617
  123   1HG   ARG  14           2HG      ARG  14  -5.965  -6.011  -4.541
  124   2HG   ARG  14           3HG      ARG  14  -6.765  -4.531  -5.035
  125   1HD   ARG  14           2HD      ARG  14  -8.010  -6.685  -5.646
  126   2HD   ARG  14           3HD      ARG  14  -7.722  -5.572  -6.985
  127    HE   ARG  14           HE       ARG  14  -5.996  -7.074  -7.825
  128   1HH1  ARG  14           2HH      ARG  14  -5.628  -7.802  -4.803
  129   2HH1  ARG  14           1HH      ARG  14  -5.770  -9.524  -4.910
  130   1HH2  ARG  14           2HH      ARG  14  -7.267  -9.356  -8.095
  131   2HH2  ARG  14           1HH      ARG  14  -6.682 -10.436  -6.863
  132    QB   ARG  14           QB       ARG  14  -4.956  -5.150  -6.829
  133    QG   ARG  14           QG       ARG  14  -6.365  -5.272  -4.788
  134    QD   ARG  14           QD       ARG  14  -7.866  -6.128  -6.315
  135    QH1  ARG  14           QH1      ARG  14  -5.700  -8.663  -4.857
  136    QH2  ARG  14           QH2      ARG  14  -6.975  -9.896  -7.479
  137    H    VAL  15           HN       VAL  15  -2.754  -3.508  -3.569
  138    HA   VAL  15           HA       VAL  15  -0.898  -5.579  -3.080
  139    HB   VAL  15           HB       VAL  15  -0.788  -3.125  -2.503
  140   1HG1  VAL  15           2HG      VAL  15  -3.111  -2.947  -1.623
  141   2HG1  VAL  15           3HG      VAL  15  -2.656  -3.940  -0.242
  142   3HG1  VAL  15           1HG      VAL  15  -1.929  -2.354  -0.463
  143   1HG2  VAL  15           3HG      VAL  15  -0.426  -5.046  -0.211
  144   2HG2  VAL  15           1HG      VAL  15   0.733  -4.711  -1.498
  145   3HG2  VAL  15           2HG      VAL  15   0.307  -3.448  -0.348
  146    QG1  VAL  15           QG1      VAL  15  -2.565  -3.081  -0.776
  147    QG2  VAL  15           QG2      VAL  15   0.204  -4.401  -0.686
  148    QQG  VAL  15           QQG      VAL  15  -1.181  -3.741  -0.730
  149    H    ASN  16           HN       ASN  16  -0.810  -7.037  -1.275
  150    HA   ASN  16           HA       ASN  16  -3.485  -7.676  -0.083
  151   1HB   ASN  16           2HB      ASN  16  -2.531  -9.383  -1.811
  152   2HB   ASN  16           3HB      ASN  16  -1.348  -9.771  -0.561
  153   1HD2  ASN  16           2HD      ASN  16  -3.703 -11.499   1.447
  154   2HD2  ASN  16           1HD      ASN  16  -2.081 -11.020   1.251
  155    QB   ASN  16           QB       ASN  16  -1.940  -9.577  -1.186
  156    QD2  ASN  16           QD2      ASN  16  -2.892 -11.260   1.350
  157    H    VAL  17           HN       VAL  17  -3.160  -8.853   2.067
  158    HA   VAL  17           HA       VAL  17  -0.658  -7.902   3.420
  159    HB   VAL  17           HB       VAL  17  -3.318  -7.964   4.858
  160   1HG1  VAL  17           2HG      VAL  17  -1.181  -7.757   6.120
  161   2HG1  VAL  17           3HG      VAL  17  -0.802  -6.298   5.205
  162   3HG1  VAL  17           1HG      VAL  17  -2.185  -6.323   6.289
  163   1HG2  VAL  17           1HG      VAL  17  -2.229  -5.605   3.276
  164   2HG2  VAL  17           2HG      VAL  17  -3.678  -6.513   2.875
  165   3HG2  VAL  17           3HG      VAL  17  -3.624  -5.555   4.350
  166    QG1  VAL  17           QG1      VAL  17  -1.390  -6.793   5.871
  167    QG2  VAL  17           QG2      VAL  17  -3.177  -5.891   3.500
  168    QQG  VAL  17           QQG      VAL  17  -2.283  -6.342   4.686
  169    H    GLU  18           HN       GLU  18   0.300  -9.418   4.608
  170    HA   GLU  18           HA       GLU  18  -1.037 -12.039   4.857
  171   1HB   GLU  18           2HB      GLU  18   1.829 -11.143   5.355
  172   2HB   GLU  18           3HB      GLU  18   1.261 -12.797   5.404
  173   1HG   GLU  18           2HG      GLU  18   1.352 -10.955   2.995
  174   2HG   GLU  18           3HG      GLU  18   2.190 -12.488   3.200
  175    QB   GLU  18           QB       GLU  18   1.545 -11.970   5.379
  176    QG   GLU  18           QG       GLU  18   1.771 -11.722   3.098
  177    H    ASP  19           HN       ASP  19   0.915  -9.880   6.873
  178    HA   ASP  19           HA       ASP  19  -0.804 -10.514   9.198
  179   1HB   ASP  19           2HB      ASP  19   1.023 -11.073  10.649
  180   2HB   ASP  19           3HB      ASP  19   1.291 -12.016   9.199
  181    QB   ASP  19           QB       ASP  19   1.157 -11.545   9.923
  182    H    GLU  20           HN       GLU  20   1.137  -9.084  10.896
  183    HA   GLU  20           HA       GLU  20   0.169  -6.399  10.309
  184   1HB   GLU  20           2HB      GLU  20   1.892  -7.634  12.492
  185   2HB   GLU  20           3HB      GLU  20   1.483  -5.941  12.444
  186   1HG   GLU  20           2HG      GLU  20  -0.950  -6.522  12.505
  187   2HG   GLU  20           3HG      GLU  20  -0.519  -8.225  12.588
  188    QB   GLU  20           QB       GLU  20   1.687  -6.787  12.468
  189    QG   GLU  20           QG       GLU  20  -0.734  -7.374  12.547
  190    H    ASN  21           HN       ASN  21   3.131  -8.223   9.984
  191    HA   ASN  21           HA       ASN  21   5.099  -6.298   9.705
  192   1HB   ASN  21           2HB      ASN  21   5.422  -8.762   9.362
  193   2HB   ASN  21           3HB      ASN  21   4.689  -8.611   7.775
  194   1HD2  ASN  21           2HD      ASN  21   7.850  -6.268   7.354
  195   2HD2  ASN  21           1HD      ASN  21   6.354  -5.735   7.953
  196    QB   ASN  21           QB       ASN  21   5.055  -8.687   8.568
  197    QD2  ASN  21           QD2      ASN  21   7.102  -6.002   7.654
  198    H    ASP  22           HN       ASP  22   3.191  -7.401   6.854
  199    HA   ASP  22           HA       ASP  22   4.111  -5.397   5.078
  200   1HB   ASP  22           2HB      ASP  22   2.608  -7.269   4.389
  201   2HB   ASP  22           3HB      ASP  22   1.267  -6.485   5.221
  202    QB   ASP  22           QB       ASP  22   1.938  -6.878   4.805
  203    H    ILE  23           HN       ILE  23   1.310  -5.282   7.234
  204    HA   ILE  23           HA       ILE  23   0.383  -2.714   6.639
  205    HB   ILE  23           HB       ILE  23   0.491  -4.055   9.368
  206   1HG1  ILE  23           2HG      ILE  23  -1.596  -4.063   7.144
  207   2HG1  ILE  23           3HG      ILE  23  -0.541  -5.406   7.539
  208   1HG2  ILE  23           1HG      ILE  23  -0.037  -1.614   9.469
  209   2HG2  ILE  23           2HG      ILE  23  -1.323  -1.856   8.291
  210   3HG2  ILE  23           3HG      ILE  23  -1.437  -2.591   9.882
  211   1HD1  ILE  23           1HD      ILE  23  -1.554  -5.544   9.792
  212   2HD1  ILE  23           2HD      ILE  23  -2.635  -4.221   9.376
  213   3HD1  ILE  23           3HD      ILE  23  -2.750  -5.752   8.521
  214    QG1  ILE  23           QG1      ILE  23  -1.068  -4.734   7.341
  215    QG2  ILE  23           QG2      ILE  23  -0.932  -2.020   9.214
  216    QD1  ILE  23           QD1      ILE  23  -2.313  -5.172   9.230
  217    H    SER  24           HN       SER  24   3.056  -3.577   8.911
  218    HA   SER  24           HA       SER  24   3.526  -0.822   9.639
  219   1HB   SER  24           2HB      SER  24   6.036  -1.910   9.912
  220   2HB   SER  24           3HB      SER  24   4.758  -2.090  11.123
  221    HG   SER  24           HG       SER  24   5.489  -3.851   9.011
  222    QB   SER  24           QB       SER  24   5.397  -2.000  10.518
  223    H    GLU  25           HN       GLU  25   4.809  -2.884   7.057
  224    HA   GLU  25           HA       GLU  25   6.711  -1.040   6.010
  225   1HB   GLU  25           2HB      GLU  25   5.056  -2.892   4.274
  226   2HB   GLU  25           3HB      GLU  25   6.725  -2.422   4.054
  227   1HG   GLU  25           2HG      GLU  25   5.588  -4.404   5.996
  228   2HG   GLU  25           3HG      GLU  25   6.903  -4.615   4.872
  229    QB   GLU  25           QB       GLU  25   5.891  -2.657   4.164
  230    QG   GLU  25           QG       GLU  25   6.246  -4.510   5.434
  231    H    LEU  26           HN       LEU  26   3.274  -1.463   5.164
  232    HA   LEU  26           HA       LEU  26   3.277   0.593   3.146
  233   1HB   LEU  26           2HB      LEU  26   1.602  -1.114   3.006
  234   2HB   LEU  26           3HB      LEU  26   1.136  -0.908   4.686
  235    HG   LEU  26           HG       LEU  26   0.345   1.387   4.132
  236   1HD1  LEU  26           3HD      LEU  26   0.875   0.492   1.272
  237   2HD1  LEU  26           1HD      LEU  26   0.006   1.951   1.726
  238   3HD1  LEU  26           2HD      LEU  26   1.711   1.792   2.117
  239   1HD2  LEU  26           2HD      LEU  26  -0.907  -0.859   2.511
  240   2HD2  LEU  26           3HD      LEU  26  -1.238  -0.505   4.202
  241   3HD2  LEU  26           1HD      LEU  26  -1.720   0.639   2.954
  242    QB   LEU  26           QB       LEU  26   1.369  -1.011   3.846
  243    QD1  LEU  26           QD1      LEU  26   0.864   1.412   1.705
  244    QD2  LEU  26           QD2      LEU  26  -1.288  -0.242   3.222
  245    QQD  LEU  26           QQD      LEU  26  -0.212   0.586   2.464
  246    H    HIS  27           HN       HIS  27   2.124   0.460   6.515
  247    HA   HIS  27           HA       HIS  27   1.052   2.995   6.847
  248   1HB   HIS  27           2HB      HIS  27   2.637   1.220   8.633
  249   2HB   HIS  27           3HB      HIS  27   2.457   2.876   9.149
  250    HD1  HIS  27           HD1      HIS  27   0.555   3.072  10.644
  251    HD2  HIS  27           HD2      HIS  27  -0.286   0.253   7.770
  252    HE1  HIS  27           HE1      HIS  27  -1.791   2.290  11.083
  253    QB   HIS  27           QB       HIS  27   2.547   2.048   8.891
  254    H    GLU  28           HN       GLU  28   4.506   2.205   7.128
  255    HA   GLU  28           HA       GLU  28   5.718   4.639   7.525
  256   1HB   GLU  28           2HB      GLU  28   7.106   2.733   7.135
  257   2HB   GLU  28           3HB      GLU  28   6.362   2.411   5.590
  258   1HG   GLU  28           2HG      GLU  28   8.525   3.288   5.100
  259   2HG   GLU  28           3HG      GLU  28   7.404   4.572   4.722
  260    QB   GLU  28           QB       GLU  28   6.734   2.572   6.363
  261    QG   GLU  28           QG       GLU  28   7.964   3.930   4.912
  262    H    LEU  29           HN       LEU  29   4.769   3.491   4.319
  263    HA   LEU  29           HA       LEU  29   5.390   5.936   2.978
  264   1HB   LEU  29           2HB      LEU  29   4.921   3.429   2.120
  265   2HB   LEU  29           3HB      LEU  29   3.310   4.073   1.864
  266    HG   LEU  29           HG       LEU  29   4.473   4.409  -0.186
  267   1HD1  LEU  29           3HD      LEU  29   4.601   7.005   1.386
  268   2HD1  LEU  29           1HD      LEU  29   4.647   6.894  -0.360
  269   3HD1  LEU  29           2HD      LEU  29   3.207   6.411   0.519
  270   1HD2  LEU  29           3HD      LEU  29   6.733   3.996   0.683
  271   2HD2  LEU  29           1HD      LEU  29   6.707   5.453  -0.301
  272   3HD2  LEU  29           2HD      LEU  29   6.751   5.573   1.452
  273    QB   LEU  29           QB       LEU  29   4.116   3.751   1.992
  274    QD1  LEU  29           QD1      LEU  29   4.151   6.770   0.515
  275    QD2  LEU  29           QD2      LEU  29   6.730   5.007   0.611
  276    QQD  LEU  29           QQD      LEU  29   5.441   5.889   0.563
  277    H    ALA  30           HN       ALA  30   2.271   4.481   3.777
  278    HA   ALA  30           HA       ALA  30   0.693   6.701   2.873
  279   1HB   ALA  30           3HB      ALA  30  -0.241   4.445   3.202
  280   2HB   ALA  30           1HB      ALA  30   0.024   4.587   4.938
  281   3HB   ALA  30           2HB      ALA  30  -1.142   5.635   4.138
  282    QB   ALA  30           QB       ALA  30  -0.453   4.889   4.093
  283    H    SER  31           HN       SER  31   2.523   6.327   5.759
  284    HA   SER  31           HA       SER  31   0.911   8.453   7.114
  285   1HB   SER  31           2HB      SER  31   3.129   6.702   8.237
  286   2HB   SER  31           3HB      SER  31   2.046   7.764   9.157
  287    HG   SER  31           HG       SER  31   1.487   5.416   7.717
  288    QB   SER  31           QB       SER  31   2.588   7.233   8.697
  289    H    THR  32           HN       THR  32   3.079   8.709   4.946
  290    HA   THR  32           HA       THR  32   4.292  11.101   6.196
  291    HB   THR  32           HB       THR  32   5.988   8.860   5.006
  292    HG1  THR  32          1HG       THR  32   5.134   9.580   7.520
  293   1HG2  THR  32           3HG      THR  32   6.900  11.167   4.566
  294   2HG2  THR  32           1HG      THR  32   6.823  11.486   6.294
  295   3HG2  THR  32           2HG      THR  32   7.901  10.237   5.671
  296    QG2  THR  32           QG2      THR  32   7.208  10.963   5.510
  297    NH1  ARG  33           NH2      ARG  33   7.431   7.046   4.630
  298    NH2  ARG  33           NH1      ARG  33   9.242   6.804   3.295
  299    H    ARG  33           HN       ARG  33   4.588   9.002   3.371
  300    HA   ARG  33           HA       ARG  33   4.486  11.426   1.621
  301   1HB   ARG  33           2HB      ARG  33   5.442   8.604   0.994
  302   2HB   ARG  33           3HB      ARG  33   5.596   9.995  -0.052
  303   1HG   ARG  33           2HG      ARG  33   7.351  10.874   1.146
  304   2HG   ARG  33           3HG      ARG  33   6.711  10.351   2.689
  305   1HD   ARG  33           2HD      ARG  33   8.077   8.537   0.665
  306   2HD   ARG  33           3HD      ARG  33   8.832   9.180   2.121
  307    HE   ARG  33           HE       ARG  33   6.454   7.356   2.241
  308   1HH1  ARG  33           2HH      ARG  33   6.464   7.258   4.755
  309   2HH1  ARG  33           1HH      ARG  33   7.956   6.694   5.412
  310   1HH2  ARG  33           2HH      ARG  33   9.682   6.901   2.402
  311   2HH2  ARG  33           1HH      ARG  33   9.748   6.376   4.067
  312    QB   ARG  33           QB       ARG  33   5.519   9.299   0.471
  313    QG   ARG  33           QG       ARG  33   7.031  10.612   1.918
  314    QD   ARG  33           QD       ARG  33   8.455   8.859   1.394
  315    QH1  ARG  33           QH2      ARG  33   7.210   6.976   5.084
  316    QH2  ARG  33           QH1      ARG  33   9.715   6.638   3.235
  317    H    GLN  34           HN       GLN  34   2.258  11.281   2.400
  318    HA   GLN  34           HA       GLN  34   0.254   9.545   2.135
  319   1HB   GLN  34           2HB      GLN  34  -1.295  11.329   1.673
  320   2HB   GLN  34           3HB      GLN  34   0.001  11.994   2.651
  321   1HG   GLN  34           2HG      GLN  34   1.051  12.994   0.674
  322   2HG   GLN  34           3HG      GLN  34  -0.116  12.216  -0.385
  323   1HE2  GLN  34           2HE      GLN  34  -1.968  14.939   2.024
  324   2HE2  GLN  34           1HE      GLN  34  -1.081  13.673   2.719
  325    QB   GLN  34           QB       GLN  34  -0.646  11.662   2.162
  326    QG   GLN  34           QG       GLN  34   0.467  12.605   0.144
  327    QE2  GLN  34           QE2      GLN  34  -1.524  14.305   2.371
  328    H    ILE  35           HN       ILE  35  -1.048   8.598   0.783
  329    HA   ILE  35           HA       ILE  35  -0.647   8.863  -2.153
  330    HB   ILE  35           HB       ILE  35  -1.311   6.149  -1.059
  331   1HG1  ILE  35           2HG      ILE  35   1.565   7.163  -1.061
  332   2HG1  ILE  35           3HG      ILE  35   0.612   6.909   0.393
  333   1HG2  ILE  35           2HG      ILE  35  -1.169   6.641  -3.485
  334   2HG2  ILE  35           3HG      ILE  35   0.505   7.136  -3.290
  335   3HG2  ILE  35           1HG      ILE  35   0.039   5.462  -3.016
  336   1HD1  ILE  35           2HD      ILE  35   0.293   4.511  -0.263
  337   2HD1  ILE  35           3HD      ILE  35   1.351   4.773  -1.645
  338   3HD1  ILE  35           1HD      ILE  35   1.981   4.920  -0.015
  339    QG1  ILE  35           QG1      ILE  35   1.089   7.036  -0.334
  340    QG2  ILE  35           QG2      ILE  35  -0.207   6.413  -3.263
  341    QD1  ILE  35           QD1      ILE  35   1.208   4.735  -0.641
  342    H    ASP  36           HN       ASP  36  -2.691   7.332  -3.038
  343    HA   ASP  36           HA       ASP  36  -5.048   8.434  -1.573
  344   1HB   ASP  36           2HB      ASP  36  -5.297   9.255  -3.733
  345   2HB   ASP  36           3HB      ASP  36  -4.466   7.892  -4.467
  346    QB   ASP  36           QB       ASP  36  -4.881   8.574  -4.100
  347    H    PHE  37           HN       PHE  37  -7.043   6.939  -1.822
  348    HA   PHE  37           HA       PHE  37  -6.358   4.076  -1.783
  349   1HB   PHE  37           2HB      PHE  37  -7.327   5.580   0.652
  350   2HB   PHE  37           3HB      PHE  37  -7.525   3.836   0.503
  351    HD1  PHE  37          2HD       PHE  37  -5.323   2.519  -0.173
  352    HD2  PHE  37          1HD       PHE  37  -5.296   6.403   1.578
  353    HE1  PHE  37          2HE       PHE  37  -2.964   2.223   0.438
  354    HE2  PHE  37          1HE       PHE  37  -2.937   6.094   2.212
  355    HZ   PHE  37           HZ       PHE  37  -1.770   4.012   1.634
  356    QB   PHE  37           QB       PHE  37  -7.426   4.708   0.578
  357    QR   PHE  37           QR       PHE  37  -4.130   4.309   1.014
  358    CH2  TRP  38           CH2      TRP  38 -12.791   2.169  -8.911
  359    H    TRP  38           HN       TRP  38  -8.111   2.766  -2.386
  360    HA   TRP  38           HA       TRP  38 -10.694   4.247  -2.768
  361   1HB   TRP  38           2HB      TRP  38  -9.356   3.567  -4.827
  362   2HB   TRP  38           3HB      TRP  38  -9.712   1.914  -4.421
  363    HD1  TRP  38           HD1      TRP  38 -12.749   3.879  -3.645
  364    HE1  TRP  38           HE1      TRP  38 -14.442   3.746  -5.479
  365    HE3  TRP  38           HE3      TRP  38  -9.837   1.930  -7.232
  366    HZ2  TRP  38           HZ2      TRP  38 -14.620   2.933  -8.109
  367    HZ3  TRP  38           HZ3      TRP  38 -10.846   1.472  -9.458
  368    HH2  TRP  38           HH2      TRP  38 -13.214   1.966  -9.886
  369    QB   TRP  38           QB       TRP  38  -9.534   2.741  -4.623
  370    H    LYS  39           HN       LYS  39  -9.450   0.909  -2.423
  371    HA   LYS  39           HA       LYS  39 -11.842   0.336  -0.703
  372   1HB   LYS  39           2HB      LYS  39 -10.559  -1.678  -2.578
  373   2HB   LYS  39           3HB      LYS  39 -12.038  -1.879  -1.671
  374   1HG   LYS  39           2HG      LYS  39 -13.285  -0.508  -3.066
  375   2HG   LYS  39           3HG      LYS  39 -11.894   0.441  -3.560
  376   1HD   LYS  39           2HD      LYS  39 -11.206  -2.031  -4.550
  377   2HD   LYS  39           3HD      LYS  39 -12.959  -2.088  -4.693
  378   1HE   LYS  39           2HE      LYS  39 -13.040  -0.325  -6.206
  379   2HE   LYS  39           3HE      LYS  39 -11.584   0.423  -5.567
  380   1HZ   LYS  39           3HZ      LYS  39 -10.851  -2.063  -6.630
  381   2HZ   LYS  39           1HZ      LYS  39 -11.795  -1.247  -7.792
  382   3HZ   LYS  39           2HZ      LYS  39 -10.400  -0.517  -7.140
  383    QB   LYS  39           QB       LYS  39 -11.299  -1.779  -2.124
  384    QG   LYS  39           QG       LYS  39 -12.590  -0.033  -3.313
  385    QD   LYS  39           QD       LYS  39 -12.083  -2.060  -4.621
  386    QE   LYS  39           QE       LYS  39 -12.312   0.049  -5.887
  387    QZ   LYS  39           QZ       LYS  39 -11.016  -1.275  -7.187
  388    HA   PRO  40           HA       PRO  40 -12.376  -1.780   0.297
  389   1HB   PRO  40           2HB      PRO  40 -12.354  -2.109   3.166
  390   2HB   PRO  40           3HB      PRO  40 -12.368  -3.369   1.931
  391   1HG   PRO  40           2HG      PRO  40 -10.213  -2.796   3.655
  392   2HG   PRO  40           3HG      PRO  40 -10.122  -3.786   2.191
  393   1HD   PRO  40           2HD      PRO  40  -9.249  -0.958   2.612
  394   2HD   PRO  40           3HD      PRO  40  -8.652  -2.159   1.451
  395    QB   PRO  40           QB       PRO  40 -12.362  -2.739   2.549
  396    QG   PRO  40           QG       PRO  40 -10.168  -3.291   2.923
  397    QD   PRO  40           QD       PRO  40  -8.950  -1.559   2.032
  398    H    ASP  41           HN       ASP  41 -11.389  -0.120   3.267
  399    HA   ASP  41           HA       ASP  41 -13.357   2.052   2.633
  400   1HB   ASP  41           2HB      ASP  41 -14.404   0.872   4.396
  401   2HB   ASP  41           3HB      ASP  41 -12.877   0.502   5.180
  402    QB   ASP  41           QB       ASP  41 -13.641   0.688   4.788
  403    H    SER  42           HN       SER  42 -10.945   1.442   5.116
  404    HA   SER  42           HA       SER  42  -9.379   3.799   4.178
  405   1HB   SER  42           2HB      SER  42  -9.067   4.437   6.586
  406   2HB   SER  42           3HB      SER  42 -10.792   4.419   6.168
  407    HG   SER  42           HG       SER  42 -11.072   2.542   7.151
  408    QB   SER  42           QB       SER  42  -9.929   4.427   6.377
  409    H    VAL  43           HN       VAL  43  -7.336   3.699   5.906
  410    HA   VAL  43           HA       VAL  43  -6.177   0.977   5.462
  411    HB   VAL  43           HB       VAL  43  -5.097   2.936   4.271
  412   1HG1  VAL  43           3HG      VAL  43  -5.511   4.639   6.036
  413   2HG1  VAL  43           1HG      VAL  43  -4.353   3.821   7.083
  414   3HG1  VAL  43           2HG      VAL  43  -3.815   4.565   5.580
  415   1HG2  VAL  43           1HG      VAL  43  -3.773   0.919   4.811
  416   2HG2  VAL  43           2HG      VAL  43  -2.781   2.369   4.909
  417   3HG2  VAL  43           3HG      VAL  43  -3.363   1.599   6.380
  418    QG1  VAL  43           QG1      VAL  43  -4.560   4.342   6.233
  419    QG2  VAL  43           QG2      VAL  43  -3.306   1.629   5.367
  420    QQG  VAL  43           QQG      VAL  43  -3.932   2.986   5.800
  421    H    THR  44           HN       THR  44  -7.944   1.940   7.546
  422    HA   THR  44           HA       THR  44  -6.220   1.567   9.961
  423    HB   THR  44           HB       THR  44  -8.801   2.601  10.697
  424    HG1  THR  44          1HG       THR  44  -9.063   3.414   8.639
  425   1HG2  THR  44           1HG      THR  44  -6.559   3.121  11.803
  426   2HG2  THR  44           2HG      THR  44  -6.147   4.078  10.383
  427   3HG2  THR  44           3HG      THR  44  -7.489   4.564  11.412
  428    QG2  THR  44           QG2      THR  44  -6.732   3.921  11.199
  429    H    GLN  45           HN       GLN  45  -9.449   0.814   8.605
  430    HA   GLN  45           HA       GLN  45  -9.755  -1.314  10.644
  431   1HB   GLN  45           2HB      GLN  45 -11.990  -1.675   9.580
  432   2HB   GLN  45           3HB      GLN  45 -11.757  -0.023  10.127
  433   1HG   GLN  45           2HG      GLN  45 -11.666   0.820   7.959
  434   2HG   GLN  45           3HG      GLN  45 -10.994  -0.666   7.290
  435   1HE2  GLN  45           2HE      GLN  45 -14.923  -0.126   7.034
  436   2HE2  GLN  45           1HE      GLN  45 -13.804   1.126   7.307
  437    QB   GLN  45           QB       GLN  45 -11.873  -0.848   9.854
  438    QG   GLN  45           QG       GLN  45 -11.330   0.077   7.624
  439    QE2  GLN  45           QE2      GLN  45 -14.363   0.500   7.171
  440    H    ILE  46           HN       ILE  46  -7.609  -1.859   9.263
  441    HA   ILE  46           HA       ILE  46  -8.391  -4.049   7.377
  442    HB   ILE  46           HB       ILE  46  -5.932  -2.256   7.389
  443   1HG1  ILE  46           2HG      ILE  46  -8.283  -2.663   5.509
  444   2HG1  ILE  46           3HG      ILE  46  -7.840  -1.199   6.372
  445   1HG2  ILE  46           2HG      ILE  46  -6.507  -4.662   5.618
  446   2HG2  ILE  46           3HG      ILE  46  -5.148  -3.559   5.435
  447   3HG2  ILE  46           1HG      ILE  46  -5.256  -4.583   6.853
  448   1HD1  ILE  46           2HD      ILE  46  -5.722  -1.094   5.052
  449   2HD1  ILE  46           3HD      ILE  46  -6.258  -2.495   4.133
  450   3HD1  ILE  46           1HD      ILE  46  -7.161  -0.990   4.041
  451    QG1  ILE  46           QG1      ILE  46  -8.061  -1.931   5.940
  452    QG2  ILE  46           QG2      ILE  46  -5.637  -4.268   5.968
  453    QD1  ILE  46           QD1      ILE  46  -6.381  -1.526   4.408
  454    H    LYS  47           HN       LYS  47  -6.951  -5.939   7.477
  455    HA   LYS  47           HA       LYS  47  -5.451  -6.185  10.038
  456   1HB   LYS  47           2HB      LYS  47  -6.601  -8.434  10.381
  457   2HB   LYS  47           3HB      LYS  47  -7.650  -7.038  10.585
  458   1HG   LYS  47           2HG      LYS  47  -8.262  -7.367   8.087
  459   2HG   LYS  47           3HG      LYS  47  -7.489  -8.937   8.233
  460   1HD   LYS  47           2HD      LYS  47  -8.997  -9.384  10.229
  461   2HD   LYS  47           3HD      LYS  47  -9.866  -7.912   9.799
  462   1HE   LYS  47           2HE      LYS  47 -10.141  -8.894   7.458
  463   2HE   LYS  47           3HE      LYS  47  -9.517 -10.408   8.106
  464   1HZ   LYS  47           2HZ      LYS  47 -11.540  -9.474   9.816
  465   2HZ   LYS  47           3HZ      LYS  47 -12.133  -9.430   8.229
  466   3HZ   LYS  47           1HZ      LYS  47 -11.528 -10.884   8.871
  467    QB   LYS  47           QB       LYS  47  -7.126  -7.736  10.482
  468    QG   LYS  47           QG       LYS  47  -7.875  -8.152   8.160
  469    QD   LYS  47           QD       LYS  47  -9.432  -8.648  10.014
  470    QE   LYS  47           QE       LYS  47  -9.829  -9.652   7.782
  471    QZ   LYS  47           QZ       LYS  47 -11.733  -9.930   8.971
  472    HA   PRO  48           HA       PRO  48  -2.712  -9.365   8.052
  473   1HB   PRO  48           2HB      PRO  48  -4.474 -11.126   9.740
  474   2HB   PRO  48           3HB      PRO  48  -2.726 -11.199   9.509
  475   1HG   PRO  48           2HG      PRO  48  -3.912 -10.057  11.733
  476   2HG   PRO  48           3HG      PRO  48  -2.324  -9.568  11.136
  477   1HD   PRO  48           2HD      PRO  48  -4.824  -8.046  11.106
  478   2HD   PRO  48           3HD      PRO  48  -3.200  -7.482  10.694
  479    QB   PRO  48           QB       PRO  48  -3.600 -11.162   9.624
  480    QG   PRO  48           QG       PRO  48  -3.117  -9.813  11.434
  481    QD   PRO  48           QD       PRO  48  -4.012  -7.763  10.901
  482    H    HIS  49           HN       HIS  49  -3.064 -11.172   6.640
  483    HA   HIS  49           HA       HIS  49  -4.089 -11.846   4.602
  484   1HB   HIS  49           2HB      HIS  49  -6.414 -12.838   6.076
  485   2HB   HIS  49           3HB      HIS  49  -5.231 -13.703   5.144
  486    HD1  HIS  49           HD1      HIS  49  -2.737 -13.230   6.725
  487    HD2  HIS  49           HD2      HIS  49  -6.312 -14.024   8.609
  488    HE1  HIS  49           HE1      HIS  49  -2.162 -14.157   8.989
  489    QB   HIS  49           QB       HIS  49  -5.823 -13.270   5.610
  490    H    SER  50           HN       SER  50  -4.534  -9.348   4.413
  491    HA   SER  50           HA       SER  50  -7.436  -8.996   3.775
  492   1HB   SER  50           2HB      SER  50  -5.550  -6.929   4.984
  493   2HB   SER  50           3HB      SER  50  -7.163  -6.557   4.364
  494    HG   SER  50           HG       SER  50  -6.428  -8.279   6.510
  495    QB   SER  50           QB       SER  50  -6.357  -6.744   4.674
  496    H    THR  51           HN       THR  51  -7.565  -6.935   2.220
  497    HA   THR  51           HA       THR  51  -5.233  -6.845   0.395
  498    HB   THR  51           HB       THR  51  -8.010  -7.309  -0.760
  499    HG1  THR  51          1HG       THR  51  -6.185  -9.413  -0.335
  500   1HG2  THR  51           2HG      THR  51  -5.207  -8.172  -1.645
  501   2HG2  THR  51           3HG      THR  51  -6.691  -8.367  -2.568
  502   3HG2  THR  51           1HG      THR  51  -6.039  -6.759  -2.281
  503    QG2  THR  51           QG2      THR  51  -5.979  -7.766  -2.165
  504    H    VAL  52           HN       VAL  52  -5.212  -4.879  -0.902
  505    HA   VAL  52           HA       VAL  52  -7.370  -2.927  -0.178
  506    HB   VAL  52           HB       VAL  52  -4.378  -2.402  -0.137
  507   1HG1  VAL  52           1HG      VAL  52  -6.695  -0.525   0.454
  508   2HG1  VAL  52           2HG      VAL  52  -4.990  -0.150   0.676
  509   3HG1  VAL  52           3HG      VAL  52  -5.626  -0.421  -0.942
  510   1HG2  VAL  52           3HG      VAL  52  -6.456  -2.488   2.061
  511   2HG2  VAL  52           1HG      VAL  52  -5.164  -3.656   1.815
  512   3HG2  VAL  52           2HG      VAL  52  -4.774  -2.008   2.284
  513    QG1  VAL  52           QG1      VAL  52  -5.770  -0.365   0.063
  514    QG2  VAL  52           QG2      VAL  52  -5.465  -2.717   2.053
  515    QQG  VAL  52           QQG      VAL  52  -5.618  -1.541   1.058
  516    H    ASP  53           HN       ASP  53  -7.685  -1.245  -1.679
  517    HA   ASP  53           HA       ASP  53  -6.576  -1.733  -4.424
  518   1HB   ASP  53           2HB      ASP  53  -9.005  -2.506  -3.975
  519   2HB   ASP  53           3HB      ASP  53  -9.387  -0.794  -3.808
  520    QB   ASP  53           QB       ASP  53  -9.197  -1.650  -3.891
  521    H    PHE  54           HN       PHE  54  -5.265   0.064  -4.726
  522    HA   PHE  54           HA       PHE  54  -6.599   2.688  -4.497
  523   1HB   PHE  54           2HB      PHE  54  -4.940   3.685  -3.076
  524   2HB   PHE  54           3HB      PHE  54  -5.574   2.267  -2.265
  525    HD1  PHE  54          2HD       PHE  54  -4.150   0.017  -2.774
  526    HD2  PHE  54          1HD       PHE  54  -2.653   3.997  -3.070
  527    HE1  PHE  54          2HE       PHE  54  -1.868  -0.812  -2.401
  528    HE2  PHE  54          1HE       PHE  54  -0.379   3.168  -2.696
  529    HZ   PHE  54           HZ       PHE  54   0.027   0.759  -2.350
  530    QB   PHE  54           QB       PHE  54  -5.257   2.977  -2.671
  531    QR   PHE  54           QR       PHE  54  -2.262   1.593  -2.735
  532    NH1  ARG  55           NH2      ARG  55  -8.217   7.497  -8.841
  533    NH2  ARG  55           NH1      ARG  55  -7.269   6.366 -10.589
  534    H    ARG  55           HN       ARG  55  -4.924   4.495  -5.037
  535    HA   ARG  55           HA       ARG  55  -3.307   3.554  -7.380
  536   1HB   ARG  55           2HB      ARG  55  -4.106   5.313  -8.694
  537   2HB   ARG  55           3HB      ARG  55  -5.540   4.936  -7.749
  538   1HG   ARG  55           2HG      ARG  55  -4.469   6.698  -6.062
  539   2HG   ARG  55           3HG      ARG  55  -3.670   7.268  -7.519
  540   1HD   ARG  55           2HD      ARG  55  -6.641   7.039  -7.013
  541   2HD   ARG  55           3HD      ARG  55  -5.712   8.513  -7.301
  542    HE   ARG  55           HE       ARG  55  -5.237   7.395  -9.650
  543   1HH1  ARG  55           2HH      ARG  55  -8.080   8.036  -8.009
  544   2HH1  ARG  55           1HH      ARG  55  -9.139   7.314  -9.166
  545   1HH2  ARG  55           2HH      ARG  55  -6.424   6.064 -11.045
  546   2HH2  ARG  55           1HH      ARG  55  -8.151   6.146 -10.992
  547    QB   ARG  55           QB       ARG  55  -4.823   5.125  -8.221
  548    QG   ARG  55           QG       ARG  55  -4.070   6.983  -6.790
  549    QD   ARG  55           QD       ARG  55  -6.177   7.776  -7.157
  550    QH1  ARG  55           QH2      ARG  55  -8.609   7.675  -8.588
  551    QH2  ARG  55           QH1      ARG  55  -7.287   6.105 -11.018
  552    H    VAL  56           HN       VAL  56  -1.513   5.132  -7.892
  553    HA   VAL  56           HA       VAL  56  -0.563   6.388  -5.346
  554    HB   VAL  56           HB       VAL  56   1.100   4.992  -7.453
  555   1HG1  VAL  56           3HG      VAL  56   1.798   5.973  -4.662
  556   2HG1  VAL  56           1HG      VAL  56   2.853   5.074  -5.738
  557   3HG1  VAL  56           2HG      VAL  56   2.374   6.701  -6.155
  558   1HG2  VAL  56           1HG      VAL  56   0.122   4.089  -4.720
  559   2HG2  VAL  56           2HG      VAL  56  -0.356   3.408  -6.271
  560   3HG2  VAL  56           3HG      VAL  56   1.296   3.221  -5.697
  561    QG1  VAL  56           QG1      VAL  56   2.341   5.916  -5.518
  562    QG2  VAL  56           QG2      VAL  56   0.354   3.572  -5.563
  563    QQG  VAL  56           QQG      VAL  56   1.348   4.745  -5.541
  564    H    LYS  57           HN       LYS  57  -1.984   7.983  -6.972
  565    HA   LYS  57           HA       LYS  57  -1.905   9.890  -8.356
  566   1HB   LYS  57           2HB      LYS  57   0.684  10.236  -6.789
  567   2HB   LYS  57           3HB      LYS  57  -0.327  11.490  -7.477
  568   1HG   LYS  57           2HG      LYS  57  -1.989  11.302  -5.874
  569   2HG   LYS  57           3HG      LYS  57  -1.592   9.633  -5.515
  570   1HD   LYS  57           2HD      LYS  57  -0.938  11.257  -3.691
  571   2HD   LYS  57           3HD      LYS  57   0.369  10.245  -4.275
  572   1HE   LYS  57           2HE      LYS  57   1.070  12.613  -3.988
  573   2HE   LYS  57           3HE      LYS  57   1.248  12.069  -5.649
  574   1HZ   LYS  57           3HZ      LYS  57  -1.333  13.167  -5.264
  575   2HZ   LYS  57           1HZ      LYS  57  -0.146  14.274  -4.740
  576   3HZ   LYS  57           2HZ      LYS  57  -0.079  13.669  -6.325
  577    QB   LYS  57           QB       LYS  57   0.178  10.863  -7.134
  578    QG   LYS  57           QG       LYS  57  -1.790  10.468  -5.694
  579    QD   LYS  57           QD       LYS  57  -0.284  10.751  -3.983
  580    QE   LYS  57           QE       LYS  57   1.158  12.341  -4.819
  581    QZ   LYS  57           QZ       LYS  57  -0.519  13.703  -5.443
  582    H    ALA  58           HN       ALA  58   0.684  11.226  -9.056
  583    HA   ALA  58           HA       ALA  58   1.895   9.238 -10.901
  584   1HB   ALA  58           1HB      ALA  58   0.742  11.898 -11.836
  585   2HB   ALA  58           2HB      ALA  58   1.700  10.801 -12.829
  586   3HB   ALA  58           3HB      ALA  58   0.123  10.298 -12.239
  587    QB   ALA  58           QB       ALA  58   0.855  10.999 -12.302
  588    H    GLU  59           HN       GLU  59   2.013  12.607  -9.755
  589    HA   GLU  59           HA       GLU  59   4.224  13.814 -10.371
  590   1HB   GLU  59           2HB      GLU  59   3.695  12.964  -7.506
  591   2HB   GLU  59           3HB      GLU  59   4.871  14.193  -7.952
  592   1HG   GLU  59           2HG      GLU  59   3.185  15.714  -7.933
  593   2HG   GLU  59           3HG      GLU  59   2.495  14.899  -9.330
  594    QB   GLU  59           QB       GLU  59   4.283  13.578  -7.729
  595    QG   GLU  59           QG       GLU  59   2.841  15.306  -8.632
  596    H    ASP  60           HN       ASP  60   4.913  11.386  -7.902
  597    HA   ASP  60           HA       ASP  60   7.276  10.474  -9.466
  598   1HB   ASP  60           2HB      ASP  60   7.213  11.681  -6.728
  599   2HB   ASP  60           3HB      ASP  60   8.311  10.332  -6.987
  600    QB   ASP  60           QB       ASP  60   7.762  11.007  -6.857
  601    H    ILE  61           HN       ILE  61   5.145   9.008  -9.677
  602    HA   ILE  61           HA       ILE  61   4.349   7.241  -7.655
  603    HB   ILE  61           HB       ILE  61   4.898   6.170 -10.437
  604   1HG1  ILE  61           2HG      ILE  61   2.556   7.868  -9.619
  605   2HG1  ILE  61           3HG      ILE  61   3.845   8.348 -10.722
  606   1HG2  ILE  61           2HG      ILE  61   4.048   4.653  -8.639
  607   2HG2  ILE  61           3HG      ILE  61   2.677   5.729  -8.420
  608   3HG2  ILE  61           1HG      ILE  61   2.881   4.856  -9.927
  609   1HD1  ILE  61           3HD      ILE  61   3.274   6.418 -12.201
  610   2HD1  ILE  61           1HD      ILE  61   1.893   6.080 -11.160
  611   3HD1  ILE  61           2HD      ILE  61   1.975   7.587 -12.055
  612    QG1  ILE  61           QG1      ILE  61   3.201   8.108 -10.171
  613    QG2  ILE  61           QG2      ILE  61   3.201   5.079  -8.995
  614    QD1  ILE  61           QD1      ILE  61   2.381   6.695 -11.805
  615    H    LEU  62           HN       LEU  62   7.012   6.767  -9.914
  616    HA   LEU  62           HA       LEU  62   8.124   4.412  -9.424
  617   1HB   LEU  62           2HB      LEU  62   9.325   6.120 -10.699
  618   2HB   LEU  62           3HB      LEU  62   9.699   6.995  -9.223
  619    HG   LEU  62           HG       LEU  62  10.972   5.007  -8.388
  620   1HD1  LEU  62           3HD      LEU  62  10.409   3.889 -11.162
  621   2HD1  LEU  62           1HD      LEU  62  11.520   3.193  -9.985
  622   3HD1  LEU  62           2HD      LEU  62   9.800   3.238  -9.642
  623   1HD2  LEU  62           3HD      LEU  62  12.128   6.819  -9.589
  624   2HD2  LEU  62           1HD      LEU  62  12.888   5.268  -9.916
  625   3HD2  LEU  62           2HD      LEU  62  11.839   6.004 -11.123
  626    QB   LEU  62           QB       LEU  62   9.512   6.559  -9.961
  627    QD1  LEU  62           QD1      LEU  62  10.576   3.440 -10.263
  628    QD2  LEU  62           QD2      LEU  62  12.285   6.030 -10.209
  629    QQD  LEU  62           QQD      LEU  62  11.430   4.735 -10.236
  630    H    ALA  63           HN       ALA  63   9.207   6.982  -7.210
  631    HA   ALA  63           HA       ALA  63  10.477   5.448  -5.332
  632   1HB   ALA  63           3HB      ALA  63   8.586   7.770  -4.772
  633   2HB   ALA  63           1HB      ALA  63   9.775   7.157  -3.624
  634   3HB   ALA  63           2HB      ALA  63  10.306   7.895  -5.131
  635    QB   ALA  63           QB       ALA  63   9.556   7.608  -4.509
  636    H    VAL  64           HN       VAL  64   6.995   5.801  -5.551
  637    HA   VAL  64           HA       VAL  64   6.534   4.230  -3.134
  638    HB   VAL  64           HB       VAL  64   4.686   5.003  -5.404
  639   1HG1  VAL  64           1HG      VAL  64   4.107   3.860  -2.636
  640   2HG1  VAL  64           2HG      VAL  64   2.880   4.406  -3.765
  641   3HG1  VAL  64           3HG      VAL  64   3.877   3.015  -4.164
  642   1HG2  VAL  64           1HG      VAL  64   5.619   6.927  -4.140
  643   2HG2  VAL  64           2HG      VAL  64   3.902   6.740  -3.803
  644   3HG2  VAL  64           3HG      VAL  64   5.094   6.190  -2.630
  645    QG1  VAL  64           QG1      VAL  64   3.621   3.760  -3.522
  646    QG2  VAL  64           QG2      VAL  64   4.872   6.619  -3.524
  647    QQG  VAL  64           QQG      VAL  64   4.247   5.189  -3.523
  648    H    GLU  65           HN       GLU  65   6.502   3.639  -6.646
  649    HA   GLU  65           HA       GLU  65   5.619   0.892  -6.535
  650   1HB   GLU  65           2HB      GLU  65   7.577   2.069  -8.561
  651   2HB   GLU  65           3HB      GLU  65   6.515   0.683  -8.798
  652   1HG   GLU  65           2HG      GLU  65   4.551   2.270  -8.407
  653   2HG   GLU  65           3HG      GLU  65   5.709   3.587  -8.459
  654    QB   GLU  65           QB       GLU  65   7.046   1.376  -8.679
  655    QG   GLU  65           QG       GLU  65   5.129   2.929  -8.433
  656    H    ASP  66           HN       ASP  66   8.788   2.413  -6.621
  657    HA   ASP  66           HA       ASP  66  10.445   0.183  -6.368
  658   1HB   ASP  66           2HB      ASP  66  10.514   3.112  -5.939
  659   2HB   ASP  66           3HB      ASP  66  11.620   2.238  -4.918
  660    QB   ASP  66           QB       ASP  66  11.067   2.674  -5.429
  661    H    PHE  67           HN       PHE  67   9.017   2.332  -3.923
  662    HA   PHE  67           HA       PHE  67   9.870   1.064  -1.587
  663   1HB   PHE  67           2HB      PHE  67   8.394   3.117  -1.723
  664   2HB   PHE  67           3HB      PHE  67   7.031   2.049  -2.012
  665    HD1  PHE  67          2HD       PHE  67   9.529   3.098   0.494
  666    HD2  PHE  67          1HD       PHE  67   6.182   0.566  -0.257
  667    HE1  PHE  67          2HE       PHE  67   9.307   2.656   2.906
  668    HE2  PHE  67          1HE       PHE  67   5.942   0.167   2.153
  669    HZ   PHE  67           HZ       PHE  67   7.516   1.181   3.728
  670    QB   PHE  67           QB       PHE  67   7.713   2.582  -1.868
  671    QR   PHE  67           QR       PHE  67   7.740   1.621   1.324
  672    H    LEU  68           HN       LEU  68   7.215   0.154  -3.741
  673    HA   LEU  68           HA       LEU  68   6.299  -2.071  -2.124
  674   1HB   LEU  68           2HB      LEU  68   6.106  -1.756  -5.164
  675   2HB   LEU  68           3HB      LEU  68   5.219  -2.925  -4.211
  676    HG   LEU  68           HG       LEU  68   4.968   0.084  -3.876
  677   1HD1  LEU  68           1HD      LEU  68   3.136  -1.894  -5.285
  678   2HD1  LEU  68           2HD      LEU  68   2.776  -0.193  -5.008
  679   3HD1  LEU  68           3HD      LEU  68   4.100  -0.648  -6.072
  680   1HD2  LEU  68           2HD      LEU  68   3.344  -2.235  -2.774
  681   2HD2  LEU  68           3HD      LEU  68   4.400  -1.177  -1.846
  682   3HD2  LEU  68           1HD      LEU  68   2.941  -0.533  -2.576
  683    QB   LEU  68           QB       LEU  68   5.663  -2.341  -4.687
  684    QD1  LEU  68           QD1      LEU  68   3.337  -0.912  -5.455
  685    QD2  LEU  68           QD2      LEU  68   3.562  -1.314  -2.399
  686    QQD  LEU  68           QQD      LEU  68   3.449  -1.113  -3.927
  687    H    GLU  69           HN       GLU  69   7.919  -2.281  -5.259
  688    HA   GLU  69           HA       GLU  69   8.888  -4.842  -5.281
  689   1HB   GLU  69           2HB      GLU  69   9.988  -2.228  -6.260
  690   2HB   GLU  69           3HB      GLU  69  11.020  -3.639  -6.394
  691   1HG   GLU  69           2HG      GLU  69   9.520  -3.127  -8.420
  692   2HG   GLU  69           3HG      GLU  69   9.436  -4.775  -7.807
  693    QB   GLU  69           QB       GLU  69  10.505  -2.934  -6.326
  694    QG   GLU  69           QG       GLU  69   9.478  -3.952  -8.114
  695    H    GLN  70           HN       GLN  70  10.781  -2.173  -3.997
  696    HA   GLN  70           HA       GLN  70  12.991  -3.471  -2.971
  697   1HB   GLN  70           2HB      GLN  70  11.662  -0.959  -2.400
  698   2HB   GLN  70           3HB      GLN  70  12.174  -1.677  -0.895
  699   1HG   GLN  70           2HG      GLN  70  14.061  -0.437  -1.529
  700   2HG   GLN  70           3HG      GLN  70  14.467  -2.051  -2.083
  701   1HE2  GLN  70           2HE      GLN  70  13.096  -0.229  -5.380
  702   2HE2  GLN  70           1HE      GLN  70  12.089  -0.898  -4.184
  703    QB   GLN  70           QB       GLN  70  11.918  -1.318  -1.648
  704    QG   GLN  70           QG       GLN  70  14.263  -1.244  -1.806
  705    QE2  GLN  70           QE2      GLN  70  12.593  -0.563  -4.781
  706    H    ASN  71           HN       ASN  71   9.821  -3.212  -1.396
  707    HA   ASN  71           HA       ASN  71  10.729  -5.270   0.579
  708   1HB   ASN  71           2HB      ASN  71   8.438  -3.291   0.807
  709   2HB   ASN  71           3HB      ASN  71   9.080  -4.314   2.066
  710   1HD2  ASN  71           2HD      ASN  71  10.725  -0.755   1.470
  711   2HD2  ASN  71           1HD      ASN  71   9.274  -1.221   0.737
  712    QB   ASN  71           QB       ASN  71   8.759  -3.803   1.437
  713    QD2  ASN  71           QD2      ASN  71   9.999  -0.987   1.103
  714    H    GLU  72           HN       GLU  72   9.695  -5.779  -2.096
  715    HA   GLU  72           HA       GLU  72   7.663  -6.585  -3.167
  716   1HB   GLU  72           2HB      GLU  72   8.963  -8.668  -1.416
  717   2HB   GLU  72           3HB      GLU  72   7.665  -9.073  -2.518
  718   1HG   GLU  72           2HG      GLU  72   9.081  -7.961  -4.366
  719   2HG   GLU  72           3HG      GLU  72  10.409  -7.977  -3.210
  720    QB   GLU  72           QB       GLU  72   8.314  -8.871  -1.967
  721    QG   GLU  72           QG       GLU  72   9.745  -7.969  -3.788
  722    H    LEU  73           HN       LEU  73   6.223  -5.127  -1.768
  723    HA   LEU  73           HA       LEU  73   4.784  -6.508   0.354
  724   1HB   LEU  73           2HB      LEU  73   4.114  -3.882  -1.026
  725   2HB   LEU  73           3HB      LEU  73   3.498  -4.436   0.503
  726    HG   LEU  73           HG       LEU  73   6.421  -3.794  -0.040
  727   1HD1  LEU  73           3HD      LEU  73   4.954  -1.779  -0.011
  728   2HD1  LEU  73           1HD      LEU  73   4.321  -2.276   1.551
  729   3HD1  LEU  73           2HD      LEU  73   6.013  -1.823   1.391
  730   1HD2  LEU  73           3HD      LEU  73   4.996  -4.376   2.594
  731   2HD2  LEU  73           1HD      LEU  73   6.115  -5.468   1.785
  732   3HD2  LEU  73           2HD      LEU  73   6.692  -3.932   2.410
  733    QB   LEU  73           QB       LEU  73   3.806  -4.159  -0.262
  734    QD1  LEU  73           QD1      LEU  73   5.096  -1.959   0.977
  735    QD2  LEU  73           QD2      LEU  73   5.935  -4.592   2.263
  736    QQD  LEU  73           QQD      LEU  73   5.515  -3.276   1.620
  737    H    GLN  74           HN       GLN  74   4.808  -7.632  -2.297
  738    HA   GLN  74           HA       GLN  74   3.425  -8.550  -3.952
  739   1HB   GLN  74           2HB      GLN  74   1.481  -8.648  -1.621
  740   2HB   GLN  74           3HB      GLN  74   1.547  -9.754  -2.987
  741   1HG   GLN  74           2HG      GLN  74   3.617  -9.442  -0.780
  742   2HG   GLN  74           3HG      GLN  74   2.618 -10.850  -1.112
  743   1HE2  GLN  74           2HE      GLN  74   6.147 -10.639  -2.908
  744   2HE2  GLN  74           1HE      GLN  74   5.721  -9.766  -1.512
  745    QB   GLN  74           QB       GLN  74   1.514  -9.201  -2.304
  746    QG   GLN  74           QG       GLN  74   3.117 -10.145  -0.946
  747    QE2  GLN  74           QE2      GLN  74   5.934 -10.203  -2.209
  748    OH   TYR  75           OH       TYR  75   5.291  -5.204  -8.644
  749    H    TYR  75           HN       TYR  75   1.140  -8.620  -4.886
  750    HA   TYR  75           HA       TYR  75  -0.892  -6.823  -4.680
  751   1HB   TYR  75           2HB      TYR  75  -0.375  -5.058  -6.444
  752   2HB   TYR  75           3HB      TYR  75   0.456  -4.844  -4.921
  753    HD1  TYR  75           HD2      TYR  75   1.040  -6.588  -8.220
  754    HD2  TYR  75           HD1      TYR  75   2.718  -4.324  -5.029
  755    HE1  TYR  75           HE2      TYR  75   3.152  -6.449  -9.427
  756    HE2  TYR  75           HE1      TYR  75   4.833  -4.177  -6.259
  757    HH   TYR  75           HH       TYR  75   5.910  -4.659  -8.131
  758    QB   TYR  75           QB       TYR  75   0.041  -4.952  -5.682
  759    QR   TYR  75           QR       TYR  75   2.936  -5.384  -7.234
  760    H    GLU  76           HN       GLU  76  -2.343  -6.976  -6.294
  761    HA   GLU  76           HA       GLU  76  -1.663  -8.823  -8.551
  762   1HB   GLU  76           2HB      GLU  76  -4.186  -8.462  -6.933
  763   2HB   GLU  76           3HB      GLU  76  -4.121  -9.437  -8.387
  764   1HG   GLU  76           2HG      GLU  76  -2.826 -11.101  -7.365
  765   2HG   GLU  76           3HG      GLU  76  -2.159  -9.994  -6.165
  766    QB   GLU  76           QB       GLU  76  -4.154  -8.949  -7.660
  767    QG   GLU  76           QG       GLU  76  -2.493 -10.547  -6.765
  768    H    VAL  77           HN       VAL  77  -1.206  -7.090  -9.950
  769    HA   VAL  77           HA       VAL  77  -3.251  -4.999 -10.374
  770    HB   VAL  77           HB       VAL  77  -0.715  -5.447 -12.004
  771   1HG1  VAL  77           3HG      VAL  77  -2.317  -2.947 -11.315
  772   2HG1  VAL  77           1HG      VAL  77  -0.849  -2.987 -12.284
  773   3HG1  VAL  77           2HG      VAL  77  -2.310  -3.765 -12.877
  774   1HG2  VAL  77           1HG      VAL  77  -1.012  -3.912  -9.390
  775   2HG2  VAL  77           2HG      VAL  77  -0.107  -5.404  -9.594
  776   3HG2  VAL  77           3HG      VAL  77   0.431  -3.937 -10.396
  777    QG1  VAL  77           QG1      VAL  77  -1.825  -3.233 -12.159
  778    QG2  VAL  77           QG2      VAL  77  -0.229  -4.417  -9.793
  779    QQG  VAL  77           QQG      VAL  77  -1.027  -3.826 -10.976
  780    H    LEU  78           HN       LEU  78  -4.020  -4.596 -12.624
  781    HA   LEU  78           HA       LEU  78  -4.356  -7.134 -14.191
  782   1HB   LEU  78           2HB      LEU  78  -6.444  -4.986 -13.651
  783   2HB   LEU  78           3HB      LEU  78  -6.685  -6.385 -14.687
  784    HG   LEU  78           HG       LEU  78  -5.984  -6.547 -11.723
  785   1HD1  LEU  78           2HD      LEU  78  -8.646  -6.940 -13.149
  786   2HD1  LEU  78           3HD      LEU  78  -8.356  -7.222 -11.435
  787   3HD1  LEU  78           1HD      LEU  78  -8.243  -5.593 -12.090
  788   1HD2  LEU  78           2HD      LEU  78  -5.285  -8.524 -13.063
  789   2HD2  LEU  78           3HD      LEU  78  -6.612  -8.924 -11.982
  790   3HD2  LEU  78           1HD      LEU  78  -6.923  -8.668 -13.695
  791    QB   LEU  78           QB       LEU  78  -6.565  -5.685 -14.169
  792    QD1  LEU  78           QD1      LEU  78  -8.415  -6.585 -12.225
  793    QD2  LEU  78           QD2      LEU  78  -6.273  -8.706 -12.914
  794    QQD  LEU  78           QQD      LEU  78  -7.344  -7.645 -12.569
  795    H    ILE  79           HN       ILE  79  -2.384  -5.909 -15.148
  796    HA   ILE  79           HA       ILE  79  -3.132  -3.678 -16.928
  797    HB   ILE  79           HB       ILE  79  -0.473  -5.144 -16.807
  798   1HG1  ILE  79           2HG      ILE  79  -1.085  -4.364 -14.532
  799   2HG1  ILE  79           3HG      ILE  79   0.281  -3.478 -15.174
  800   1HG2  ILE  79           1HG      ILE  79  -1.248  -2.340 -17.697
  801   2HG2  ILE  79           2HG      ILE  79   0.398  -2.961 -17.630
  802   3HG2  ILE  79           3HG      ILE  79  -0.767  -3.670 -18.741
  803   1HD1  ILE  79           3HD      ILE  79  -1.233  -1.608 -15.815
  804   2HD1  ILE  79           1HD      ILE  79  -2.601  -2.497 -15.159
  805   3HD1  ILE  79           2HD      ILE  79  -1.320  -1.935 -14.094
  806    QG1  ILE  79           QG1      ILE  79  -0.402  -3.922 -14.853
  807    QG2  ILE  79           QG2      ILE  79  -0.539  -2.990 -18.022
  808    QD1  ILE  79           QD1      ILE  79  -1.718  -2.014 -15.023
  809    H    ASN  80           HN       ASN  80  -4.739  -5.172 -18.011
  810    HA   ASN  80           HA       ASN  80  -3.446  -6.558 -20.273
  811   1HB   ASN  80           2HB      ASN  80  -5.766  -7.499 -18.548
  812   2HB   ASN  80           3HB      ASN  80  -5.494  -8.131 -20.166
  813   1HD2  ASN  80           2HD      ASN  80  -2.930 -10.288 -19.121
  814   2HD2  ASN  80           1HD      ASN  80  -4.005  -9.820 -20.350
  815    QB   ASN  80           QB       ASN  80  -5.630  -7.815 -19.357
  816    QD2  ASN  80           QD2      ASN  80  -3.467 -10.054 -19.736
  817    H    ASN  81           HN       ASN  81  -5.425  -7.034 -21.753
  818    HA   ASN  81           HA       ASN  81  -7.147  -4.651 -22.047
  819   1HB   ASN  81           2HB      ASN  81  -6.628  -4.580 -24.500
  820   2HB   ASN  81           3HB      ASN  81  -5.246  -4.170 -23.495
  821   1HD2  ASN  81                 ASN  81  -5.199  -7.816 -25.395
  822   2HD2  ASN  81           1HD      ASN  81  -6.678  -7.226 -24.796
  823    QB   ASN  81           QB       ASN  81  -5.937  -4.376 -23.997
  824    QD2  ASN  81           QD2      ASN  81  -5.938  -7.522 -25.095
   
  Start of MODEL          16
 Raw file had 824 H/Q atoms
  Start of MODEL   16
    1   1H    HIS   1           HN1      HIS   1  10.717  12.574 -11.042
    2   2H    HIS   1           HN2      HIS   1  10.245  13.220  -9.591
    3   3H    HIS   1           HN3      HIS   1  10.132  11.588  -9.846
    4    HA   HIS   1           HA       HIS   1   8.111  11.773 -10.647
    5   1HB   HIS   1           2HB      HIS   1   7.722  14.607 -10.904
    6   2HB   HIS   1           3HB      HIS   1   7.006  13.513  -9.748
    7    HD1  HIS   1           HD1      HIS   1   8.665  12.956  -7.698
    8    HD2  HIS   1           HD2      HIS   1   9.367  16.524  -9.649
    9    HE1  HIS   1           HE1      HIS   1  10.214  14.297  -6.226
   10    QB   HIS   1           QB       HIS   1   7.365  14.060 -10.326
   11    H    HIS   2           HN       HIS   2   6.812  12.762 -12.445
   12    HA   HIS   2           HA       HIS   2   8.551  13.479 -14.766
   13   1HB   HIS   2           2HB      HIS   2   7.819  11.131 -14.877
   14   2HB   HIS   2           3HB      HIS   2   6.166  11.608 -14.604
   15    HD1  HIS   2           HD1      HIS   2   8.664  12.945 -17.027
   16    HD2  HIS   2           HD2      HIS   2   4.948  11.177 -17.090
   17    HE1  HIS   2           HE1      HIS   2   7.885  13.023 -19.417
   18    QB   HIS   2           QB       HIS   2   6.993  11.370 -14.740
   19    H    SER   3           HN       SER   3   6.884  14.331 -16.598
   20    HA   SER   3           HA       SER   3   5.902  16.798 -15.960
   21   1HB   SER   3           2HB      SER   3   4.458  14.866 -17.830
   22   2HB   SER   3           3HB      SER   3   4.473  16.639 -17.934
   23    HG   SER   3           HG       SER   3   6.392  16.512 -18.831
   24    QB   SER   3           QB       SER   3   4.466  15.752 -17.882
   25    H    GLY   4           HN       GLY   4   4.255  13.766 -15.331
   26   1HA   GLY   4           1HA      GLY   4   2.813  13.644 -13.299
   27   2HA   GLY   4           2HA      GLY   4   2.210  15.252 -13.710
   28    QA   GLY   4           QA       GLY   4   2.511  14.448 -13.505
   29    H    GLU   5           HN       GLU   5   1.678  15.205 -16.194
   30    HA   GLU   5           HA       GLU   5  -0.161  12.925 -16.751
   31   1HB   GLU   5           2HB      GLU   5  -1.377  15.033 -16.029
   32   2HB   GLU   5           3HB      GLU   5  -0.681  15.850 -17.425
   33   1HG   GLU   5           2HG      GLU   5  -1.767  14.250 -18.942
   34   2HG   GLU   5           3HG      GLU   5  -2.387  13.333 -17.571
   35    QB   GLU   5           QB       GLU   5  -1.029  15.442 -16.726
   36    QG   GLU   5           QG       GLU   5  -2.077  13.791 -18.256
   37    H    HIS   6           HN       HIS   6   1.245  11.948 -18.126
   38    HA   HIS   6           HA       HIS   6   2.030  13.484 -20.579
   39   1HB   HIS   6           2HB      HIS   6   4.097  13.050 -19.697
   40   2HB   HIS   6           3HB      HIS   6   3.539  11.688 -18.772
   41    HD1  HIS   6           HD1      HIS   6   4.271   9.552 -19.565
   42    HD2  HIS   6           HD2      HIS   6   4.375  12.250 -22.682
   43    HE1  HIS   6           HE1      HIS   6   5.311   8.349 -21.534
   44    QB   HIS   6           QB       HIS   6   3.818  12.369 -19.235
   45    H    PHE   7           HN       PHE   7   1.934  10.132 -19.514
   46    HA   PHE   7           HA       PHE   7  -0.042   9.498 -21.643
   47   1HB   PHE   7           2HB      PHE   7   2.115   9.081 -22.736
   48   2HB   PHE   7           3HB      PHE   7   2.669   8.140 -21.357
   49    HD1  PHE   7          1HD       PHE   7  -0.362   8.210 -23.594
   50    HD2  PHE   7          2HD       PHE   7   2.572   5.820 -21.637
   51    HE1  PHE   7          1HE       PHE   7  -1.361   6.185 -24.562
   52    HE2  PHE   7          2HE       PHE   7   1.565   3.801 -22.599
   53    HZ   PHE   7           HZ       PHE   7  -0.403   3.978 -24.062
   54    QB   PHE   7           QB       PHE   7   2.392   8.610 -22.046
   55    QR   PHE   7           QR       PHE   7   0.604   6.004 -23.098
   56    H    GLU   8           HN       GLU   8   2.065   8.057 -19.219
   57    HA   GLU   8           HA       GLU   8   0.784   5.777 -18.493
   58   1HB   GLU   8           2HB      GLU   8   1.620   6.126 -16.193
   59   2HB   GLU   8           3HB      GLU   8   2.821   6.572 -17.390
   60   1HG   GLU   8           2HG      GLU   8   1.088   8.472 -15.767
   61   2HG   GLU   8           3HG      GLU   8   2.823   8.261 -15.657
   62    QB   GLU   8           QB       GLU   8   2.221   6.349 -16.792
   63    QG   GLU   8           QG       GLU   8   1.955   8.366 -15.711
   64    H    GLY   9           HN       GLY   9  -0.086   8.913 -17.039
   65   1HA   GLY   9           1HA      GLY   9  -2.318   9.649 -16.580
   66   2HA   GLY   9           2HA      GLY   9  -2.903   8.023 -16.937
   67    QA   GLY   9           QA       GLY   9  -2.610   8.835 -16.759
   68    H    GLU  10           HN       GLU  10  -4.076   8.582 -14.863
   69    HA   GLU  10           HA       GLU  10  -2.437   8.158 -12.414
   70   1HB   GLU  10           2HB      GLU  10  -4.108  10.053 -12.518
   71   2HB   GLU  10           3HB      GLU  10  -5.385   8.853 -12.653
   72   1HG   GLU  10           2HG      GLU  10  -4.747   7.895 -10.462
   73   2HG   GLU  10           3HG      GLU  10  -3.425   9.054 -10.337
   74    QB   GLU  10           QB       GLU  10  -4.746   9.453 -12.586
   75    QG   GLU  10           QG       GLU  10  -4.087   8.475 -10.400
   76    H    LYS  11           HN       LYS  11  -2.361   6.190 -11.530
   77    HA   LYS  11           HA       LYS  11  -4.608   4.301 -12.067
   78   1HB   LYS  11           2HB      LYS  11  -1.628   3.759 -12.283
   79   2HB   LYS  11           3HB      LYS  11  -2.801   2.464 -12.115
   80   1HG   LYS  11           2HG      LYS  11  -2.838   4.548 -14.333
   81   2HG   LYS  11           3HG      LYS  11  -2.177   2.928 -14.502
   82   1HD   LYS  11           2HD      LYS  11  -4.513   2.090 -13.720
   83   2HD   LYS  11           3HD      LYS  11  -5.063   3.735 -14.014
   84   1HE   LYS  11           2HE      LYS  11  -5.494   2.413 -15.999
   85   2HE   LYS  11           3HE      LYS  11  -4.220   3.574 -16.358
   86   1HZ   LYS  11           2HZ      LYS  11  -3.044   1.226 -15.348
   87   2HZ   LYS  11           3HZ      LYS  11  -4.133   0.778 -16.571
   88   3HZ   LYS  11           1HZ      LYS  11  -2.889   1.898 -16.912
   89    QB   LYS  11           QB       LYS  11  -2.214   3.111 -12.199
   90    QG   LYS  11           QG       LYS  11  -2.507   3.738 -14.418
   91    QD   LYS  11           QD       LYS  11  -4.789   2.912 -13.867
   92    QE   LYS  11           QE       LYS  11  -4.857   2.993 -16.178
   93    QZ   LYS  11           QZ       LYS  11  -3.356   1.300 -16.277
   94    H    VAL  12           HN       VAL  12  -4.666   2.494 -10.501
   95    HA   VAL  12           HA       VAL  12  -3.810   3.350  -7.836
   96    HB   VAL  12           HB       VAL  12  -5.726   1.696  -7.315
   97   1HG1  VAL  12           3HG      VAL  12  -6.307   4.362  -8.631
   98   2HG1  VAL  12           1HG      VAL  12  -7.434   3.498  -7.593
   99   3HG1  VAL  12           2HG      VAL  12  -5.927   4.121  -6.931
  100   1HG2  VAL  12           2HG      VAL  12  -5.917   0.754  -9.568
  101   2HG2  VAL  12           3HG      VAL  12  -7.436   1.464  -9.030
  102   3HG2  VAL  12           1HG      VAL  12  -6.422   2.333 -10.173
  103    QG1  VAL  12           QG1      VAL  12  -6.556   3.993  -7.719
  104    QG2  VAL  12           QG2      VAL  12  -6.592   1.517  -9.591
  105    QQG  VAL  12           QQG      VAL  12  -6.574   2.755  -8.654
  106    H    PHE  13           HN       PHE  13  -2.795   1.911  -6.527
  107    HA   PHE  13           HA       PHE  13  -1.967  -0.665  -7.810
  108   1HB   PHE  13           2HB      PHE  13  -0.508   1.244  -6.009
  109   2HB   PHE  13           3HB      PHE  13  -0.128  -0.469  -5.898
  110    HD1  PHE  13          1HD       PHE  13  -0.947   1.764  -8.823
  111    HD2  PHE  13          2HD       PHE  13   1.852  -0.906  -7.041
  112    HE1  PHE  13          1HE       PHE  13   0.490   1.937 -10.806
  113    HE2  PHE  13          2HE       PHE  13   3.261  -0.763  -9.036
  114    HZ   PHE  13           HZ       PHE  13   2.643   0.744 -10.874
  115    QB   PHE  13           QB       PHE  13  -0.318   0.387  -5.954
  116    QR   PHE  13           QR       PHE  13   1.164   0.508  -8.926
  117    NH1  ARG  14           NH2      ARG  14  -4.668  -5.830  -7.588
  118    NH2  ARG  14           NH1      ARG  14  -6.886  -5.679  -8.111
  119    H    ARG  14           HN       ARG  14  -1.639  -2.430  -6.362
  120    HA   ARG  14           HA       ARG  14  -3.497  -2.323  -4.027
  121   1HB   ARG  14           2HB      ARG  14  -4.394  -3.572  -6.031
  122   2HB   ARG  14           3HB      ARG  14  -3.039  -4.677  -5.867
  123   1HG   ARG  14           2HG      ARG  14  -3.802  -5.342  -3.615
  124   2HG   ARG  14           3HG      ARG  14  -5.102  -4.157  -3.693
  125   1HD   ARG  14           2HD      ARG  14  -4.788  -6.670  -5.364
  126   2HD   ARG  14           3HD      ARG  14  -6.095  -6.251  -4.278
  127    HE   ARG  14           HE       ARG  14  -6.755  -4.416  -5.878
  128   1HH1  ARG  14           2HH      ARG  14  -3.959  -5.746  -6.896
  129   2HH1  ARG  14           1HH      ARG  14  -4.417  -6.139  -8.508
  130   1HH2  ARG  14           2HH      ARG  14  -7.819  -5.461  -7.828
  131   2HH2  ARG  14           1HH      ARG  14  -6.733  -5.991  -9.053
  132    QB   ARG  14           QB       ARG  14  -3.717  -4.125  -5.949
  133    QG   ARG  14           QG       ARG  14  -4.453  -4.749  -3.654
  134    QD   ARG  14           QD       ARG  14  -5.442  -6.460  -4.821
  135    QH1  ARG  14           QH2      ARG  14  -4.188  -5.942  -7.702
  136    QH2  ARG  14           QH1      ARG  14  -7.276  -5.726  -8.441
  137    H    VAL  15           HN       VAL  15  -3.113  -3.819  -2.402
  138    HA   VAL  15           HA       VAL  15  -0.414  -5.050  -2.212
  139    HB   VAL  15           HB       VAL  15  -1.530  -3.688   0.227
  140   1HG1  VAL  15           2HG      VAL  15   0.539  -5.060   0.287
  141   2HG1  VAL  15           3HG      VAL  15   1.281  -3.982  -0.887
  142   3HG1  VAL  15           1HG      VAL  15   0.867  -3.386   0.717
  143   1HG2  VAL  15           2HG      VAL  15  -0.088  -2.183  -1.987
  144   2HG2  VAL  15           3HG      VAL  15  -1.759  -1.922  -1.483
  145   3HG2  VAL  15           1HG      VAL  15  -0.439  -1.542  -0.384
  146    QG1  VAL  15           QG1      VAL  15   0.896  -4.143   0.039
  147    QG2  VAL  15           QG2      VAL  15  -0.762  -1.882  -1.285
  148    QQG  VAL  15           QQG      VAL  15   0.067  -3.012  -0.623
  149    H    ASN  16           HN       ASN  16  -0.449  -6.899  -0.779
  150    HA   ASN  16           HA       ASN  16  -3.193  -7.749   0.074
  151   1HB   ASN  16           2HB      ASN  16  -0.810  -9.374  -0.875
  152   2HB   ASN  16           3HB      ASN  16  -2.314 -10.057  -0.292
  153   1HD2  ASN  16           2HD      ASN  16  -2.165  -8.274  -3.974
  154   2HD2  ASN  16           1HD      ASN  16  -0.931  -7.984  -2.835
  155    QB   ASN  16           QB       ASN  16  -1.562  -9.715  -0.584
  156    QD2  ASN  16           QD2      ASN  16  -1.548  -8.129  -3.404
  157    H    VAL  17           HN       VAL  17  -3.347  -8.350   2.282
  158    HA   VAL  17           HA       VAL  17  -0.906  -8.092   3.802
  159    HB   VAL  17           HB       VAL  17  -2.612  -7.675   5.506
  160   1HG1  VAL  17           1HG      VAL  17  -1.697  -5.833   4.129
  161   2HG1  VAL  17           2HG      VAL  17  -2.979  -6.107   2.956
  162   3HG1  VAL  17           3HG      VAL  17  -3.376  -5.516   4.561
  163   1HG2  VAL  17           1HG      VAL  17  -4.447  -9.054   4.734
  164   2HG2  VAL  17           2HG      VAL  17  -4.953  -7.394   4.955
  165   3HG2  VAL  17           3HG      VAL  17  -4.636  -7.998   3.344
  166    QG1  VAL  17           QG1      VAL  17  -2.684  -5.819   3.882
  167    QG2  VAL  17           QG2      VAL  17  -4.679  -8.148   4.345
  168    QQG  VAL  17           QQG      VAL  17  -3.682  -6.984   4.113
  169    H    GLU  18           HN       GLU  18   0.100 -10.005   4.045
  170    HA   GLU  18           HA       GLU  18  -1.392 -12.496   4.337
  171   1HB   GLU  18           2HB      GLU  18   1.553 -12.013   4.874
  172   2HB   GLU  18           3HB      GLU  18   0.773 -13.519   4.453
  173   1HG   GLU  18           2HG      GLU  18   1.088 -11.107   2.647
  174   2HG   GLU  18           3HG      GLU  18   1.902 -12.657   2.482
  175    QB   GLU  18           QB       GLU  18   1.163 -12.766   4.664
  176    QG   GLU  18           QG       GLU  18   1.495 -11.882   2.565
  177    H    ASP  19           HN       ASP  19   0.667 -10.419   6.355
  178    HA   ASP  19           HA       ASP  19  -0.802 -11.488   8.738
  179   1HB   ASP  19           2HB      ASP  19   1.465 -11.198   9.995
  180   2HB   ASP  19           3HB      ASP  19   1.226 -12.636   9.025
  181    QB   ASP  19           QB       ASP  19   1.345 -11.917   9.510
  182    H    GLU  20           HN       GLU  20   1.615  -9.437   9.635
  183    HA   GLU  20           HA       GLU  20  -0.142  -7.074   9.319
  184   1HB   GLU  20           2HB      GLU  20   0.119  -8.183  11.614
  185   2HB   GLU  20           3HB      GLU  20   1.781  -7.605  11.583
  186   1HG   GLU  20           2HG      GLU  20   0.667  -5.910  12.648
  187   2HG   GLU  20           3HG      GLU  20   0.739  -5.289  11.019
  188    QB   GLU  20           QB       GLU  20   0.950  -7.894  11.599
  189    QG   GLU  20           QG       GLU  20   0.703  -5.599  11.833
  190    H    ASN  21           HN       ASN  21   2.998  -8.433   8.881
  191    HA   ASN  21           HA       ASN  21   4.692  -6.269   8.896
  192   1HB   ASN  21           2HB      ASN  21   4.418  -8.675   7.067
  193   2HB   ASN  21           3HB      ASN  21   5.817  -7.688   7.200
  194   1HD2  ASN  21           2HD      ASN  21   5.469 -10.651   9.765
  195   2HD2  ASN  21           1HD      ASN  21   4.593 -10.540   8.312
  196    QB   ASN  21           QB       ASN  21   5.117  -8.182   7.134
  197    QD2  ASN  21           QD2      ASN  21   5.031 -10.595   9.039
  198    H    ASP  22           HN       ASP  22   3.038  -7.626   6.049
  199    HA   ASP  22           HA       ASP  22   3.537  -5.589   4.218
  200   1HB   ASP  22           2HB      ASP  22   2.227  -7.740   3.753
  201   2HB   ASP  22           3HB      ASP  22   0.828  -6.986   4.511
  202    QB   ASP  22           QB       ASP  22   1.527  -7.363   4.133
  203    H    ILE  23           HN       ILE  23   0.807  -5.771   6.451
  204    HA   ILE  23           HA       ILE  23  -0.371  -3.284   5.720
  205    HB   ILE  23           HB       ILE  23  -0.411  -4.796   8.359
  206   1HG1  ILE  23           2HG      ILE  23  -2.332  -4.657   6.007
  207   2HG1  ILE  23           3HG      ILE  23  -1.223  -5.982   6.302
  208   1HG2  ILE  23           2HG      ILE  23  -1.080  -2.400   8.635
  209   2HG2  ILE  23           3HG      ILE  23  -2.260  -2.594   7.341
  210   3HG2  ILE  23           1HG      ILE  23  -2.442  -3.482   8.844
  211   1HD1  ILE  23           2HD      ILE  23  -3.423  -5.128   8.200
  212   2HD1  ILE  23           3HD      ILE  23  -3.505  -6.504   7.113
  213   3HD1  ILE  23           1HD      ILE  23  -2.338  -6.489   8.426
  214    QG1  ILE  23           QG1      ILE  23  -1.778  -5.319   6.155
  215    QG2  ILE  23           QG2      ILE  23  -1.927  -2.825   8.273
  216    QD1  ILE  23           QD1      ILE  23  -3.089  -6.040   7.913
  217    H    SER  24           HN       SER  24   1.960  -3.972   8.282
  218    HA   SER  24           HA       SER  24   2.074  -1.272   9.293
  219   1HB   SER  24           2HB      SER  24   4.138  -3.526   9.471
  220   2HB   SER  24           3HB      SER  24   4.090  -2.077  10.500
  221    HG   SER  24           HG       SER  24   2.320  -4.251  10.356
  222    QB   SER  24           QB       SER  24   4.114  -2.801   9.986
  223    H    GLU  25           HN       GLU  25   4.385  -3.134   7.307
  224    HA   GLU  25           HA       GLU  25   6.087  -1.054   6.560
  225   1HB   GLU  25           2HB      GLU  25   5.067  -3.505   5.141
  226   2HB   GLU  25           3HB      GLU  25   6.136  -2.423   4.300
  227   1HG   GLU  25           2HG      GLU  25   7.550  -4.104   5.282
  228   2HG   GLU  25           3HG      GLU  25   7.763  -2.666   6.263
  229    QB   GLU  25           QB       GLU  25   5.602  -2.964   4.721
  230    QG   GLU  25           QG       GLU  25   7.657  -3.385   5.773
  231    H    LEU  26           HN       LEU  26   3.209  -2.114   4.739
  232    HA   LEU  26           HA       LEU  26   3.150  -0.096   2.799
  233   1HB   LEU  26           2HB      LEU  26   1.716  -1.961   2.525
  234   2HB   LEU  26           3HB      LEU  26   1.078  -1.816   4.153
  235    HG   LEU  26           HG       LEU  26  -0.046   0.267   3.529
  236   1HD1  LEU  26           3HD      LEU  26   0.923  -0.410   0.723
  237   2HD1  LEU  26           1HD      LEU  26  -0.258   0.845   1.097
  238   3HD1  LEU  26           2HD      LEU  26   1.400   0.999   1.663
  239   1HD2  LEU  26           3HD      LEU  26  -0.659  -2.156   1.812
  240   2HD2  LEU  26           1HD      LEU  26  -1.247  -1.864   3.441
  241   3HD2  LEU  26           2HD      LEU  26  -1.792  -0.846   2.111
  242    QB   LEU  26           QB       LEU  26   1.397  -1.888   3.339
  243    QD1  LEU  26           QD1      LEU  26   0.688   0.478   1.161
  244    QD2  LEU  26           QD2      LEU  26  -1.232  -1.622   2.455
  245    QQD  LEU  26           QQD      LEU  26  -0.272  -0.572   1.808
  246    H    HIS  27           HN       HIS  27   1.579  -0.108   6.006
  247    HA   HIS  27           HA       HIS  27   0.185   2.284   5.983
  248   1HB   HIS  27           2HB      HIS  27   1.752   0.891   8.097
  249   2HB   HIS  27           3HB      HIS  27   1.321   2.531   8.430
  250    HD1  HIS  27           HD1      HIS  27  -0.479   2.322  10.034
  251    HD2  HIS  27           HD2      HIS  27  -1.139  -0.277   6.909
  252    HE1  HIS  27           HE1      HIS  27  -2.706   1.211  10.482
  253    QB   HIS  27           QB       HIS  27   1.537   1.711   8.264
  254    H    GLU  28           HN       GLU  28   3.665   1.962   6.620
  255    HA   GLU  28           HA       GLU  28   4.346   4.612   7.146
  256   1HB   GLU  28           2HB      GLU  28   5.977   2.771   7.206
  257   2HB   GLU  28           3HB      GLU  28   5.933   2.647   5.451
  258   1HG   GLU  28           2HG      GLU  28   6.782   4.944   5.241
  259   2HG   GLU  28           3HG      GLU  28   6.689   5.164   6.978
  260    QB   GLU  28           QB       GLU  28   5.955   2.709   6.329
  261    QG   GLU  28           QG       GLU  28   6.736   5.054   6.109
  262    H    LEU  29           HN       LEU  29   3.741   3.201   3.976
  263    HA   LEU  29           HA       LEU  29   4.667   5.300   2.361
  264   1HB   LEU  29           2HB      LEU  29   3.796   3.144   1.496
  265   2HB   LEU  29           3HB      LEU  29   2.168   3.607   1.958
  266    HG   LEU  29           HG       LEU  29   2.192   5.468   0.355
  267   1HD1  LEU  29           3HD      LEU  29   5.051   4.576  -0.208
  268   2HD1  LEU  29           1HD      LEU  29   4.161   5.758  -1.166
  269   3HD1  LEU  29           2HD      LEU  29   4.568   6.112   0.508
  270   1HD2  LEU  29           2HD      LEU  29   1.612   3.191  -0.485
  271   2HD2  LEU  29           3HD      LEU  29   2.357   4.180  -1.739
  272   3HD2  LEU  29           1HD      LEU  29   3.296   2.938  -0.916
  273    QB   LEU  29           QB       LEU  29   2.982   3.375   1.727
  274    QD1  LEU  29           QD1      LEU  29   4.593   5.482  -0.289
  275    QD2  LEU  29           QD2      LEU  29   2.422   3.436  -1.046
  276    QQD  LEU  29           QQD      LEU  29   3.507   4.459  -0.668
  277    H    ALA  30           HN       ALA  30   1.694   5.043   4.204
  278    HA   ALA  30           HA       ALA  30   0.403   7.412   3.207
  279   1HB   ALA  30           2HB      ALA  30  -0.814   5.679   4.485
  280   2HB   ALA  30           3HB      ALA  30   0.132   6.067   5.924
  281   3HB   ALA  30           1HB      ALA  30  -0.988   7.253   5.254
  282    QB   ALA  30           QB       ALA  30  -0.556   6.333   5.221
  283    H    SER  31           HN       SER  31   3.052   6.985   5.326
  284    HA   SER  31           HA       SER  31   2.814   9.799   6.321
  285   1HB   SER  31           2HB      SER  31   4.625   7.550   7.300
  286   2HB   SER  31           3HB      SER  31   4.398   9.133   8.071
  287    HG   SER  31           HG       SER  31   2.641   8.354   8.936
  288    QB   SER  31           QB       SER  31   4.512   8.342   7.686
  289    H    THR  32           HN       THR  32   3.988   8.342   3.786
  290    HA   THR  32           HA       THR  32   6.522   9.934   3.754
  291    HB   THR  32           HB       THR  32   5.998   7.245   2.383
  292    HG1  THR  32          1HG       THR  32   6.306   6.710   4.445
  293   1HG2  THR  32           2HG      THR  32   7.835   8.722   1.358
  294   2HG2  THR  32           3HG      THR  32   8.588   8.771   2.950
  295   3HG2  THR  32           1HG      THR  32   8.449   7.243   2.092
  296    QG2  THR  32           QG2      THR  32   8.291   8.245   2.134
  297    NH1  ARG  33           NH1      ARG  33   8.893   7.762  -3.913
  298    NH2  ARG  33           NH2      ARG  33   8.234   9.430  -5.318
  299    H    ARG  33           HN       ARG  33   4.140   8.359   1.633
  300    HA   ARG  33           HA       ARG  33   4.234  10.805  -0.077
  301   1HB   ARG  33           2HB      ARG  33   4.322   7.906  -0.921
  302   2HB   ARG  33           3HB      ARG  33   3.761   9.159  -2.023
  303   1HG   ARG  33           2HG      ARG  33   5.937  10.412  -1.452
  304   2HG   ARG  33           3HG      ARG  33   6.486   8.910  -0.718
  305   1HD   ARG  33           2HD      ARG  33   6.295   7.730  -2.831
  306   2HD   ARG  33           3HD      ARG  33   5.487   9.106  -3.586
  307    HE   ARG  33           HE       ARG  33   7.894  10.171  -2.728
  308   1HH1  ARG  33           2HH      ARG  33   8.874   7.360  -3.005
  309   2HH1  ARG  33           1HH      ARG  33   9.422   7.308  -4.633
  310   1HH2  ARG  33           2HH      ARG  33   7.703  10.279  -5.464
  311   2HH2  ARG  33           1HH      ARG  33   8.757   9.051  -6.077
  312    QB   ARG  33           QB       ARG  33   4.041   8.532  -1.472
  313    QG   ARG  33           QG       ARG  33   6.212   9.661  -1.086
  314    QD   ARG  33           QD       ARG  33   5.891   8.417  -3.208
  315    QH1  ARG  33           QH1      ARG  33   9.148   7.334  -3.819
  316    QH2  ARG  33           QH2      ARG  33   8.230   9.666  -5.771
  317    H    GLN  34           HN       GLN  34   2.498  10.412   1.961
  318    HA   GLN  34           HA       GLN  34   0.160   9.674   2.343
  319   1HB   GLN  34           2HB      GLN  34   0.485  12.422   1.118
  320   2HB   GLN  34           3HB      GLN  34  -1.007  11.891   1.878
  321   1HG   GLN  34           2HG      GLN  34   0.286  13.086   3.558
  322   2HG   GLN  34           3HG      GLN  34   0.320  11.382   3.976
  323   1HE2  GLN  34           2HE      GLN  34   3.773  13.205   2.761
  324   2HE2  GLN  34           1HE      GLN  34   2.282  13.974   2.517
  325    QB   GLN  34           QB       GLN  34  -0.262  12.157   1.498
  326    QG   GLN  34           QG       GLN  34   0.304  12.234   3.768
  327    QE2  GLN  34           QE2      GLN  34   3.027  13.589   2.639
  328    H    ILE  35           HN       ILE  35  -0.663   8.097   1.175
  329    HA   ILE  35           HA       ILE  35  -1.637   8.630  -1.596
  330    HB   ILE  35           HB       ILE  35  -1.902   6.064  -1.565
  331   1HG1  ILE  35           2HG      ILE  35  -0.025   6.194   0.809
  332   2HG1  ILE  35           3HG      ILE  35  -1.762   6.158   1.066
  333   1HG2  ILE  35           3HG      ILE  35   0.881   7.223  -1.141
  334   2HG2  ILE  35           1HG      ILE  35   0.517   5.685  -1.919
  335   3HG2  ILE  35           2HG      ILE  35   0.001   7.192  -2.668
  336   1HD1  ILE  35           2HD      ILE  35  -0.205   4.085  -0.514
  337   2HD1  ILE  35           3HD      ILE  35  -0.771   3.885   1.141
  338   3HD1  ILE  35           1HD      ILE  35  -1.931   4.048  -0.176
  339    QG1  ILE  35           QG1      ILE  35  -0.894   6.176   0.937
  340    QG2  ILE  35           QG2      ILE  35   0.466   6.700  -1.910
  341    QD1  ILE  35           QD1      ILE  35  -0.969   4.005   0.150
  342    H    ASP  36           HN       ASP  36  -3.821   7.871  -2.121
  343    HA   ASP  36           HA       ASP  36  -5.605   7.961   0.276
  344   1HB   ASP  36           2HB      ASP  36  -7.390   8.462  -1.433
  345   2HB   ASP  36           3HB      ASP  36  -6.090   9.655  -1.447
  346    QB   ASP  36           QB       ASP  36  -6.740   9.058  -1.441
  347    H    PHE  37           HN       PHE  37  -7.405   6.456   0.277
  348    HA   PHE  37           HA       PHE  37  -6.656   3.856  -0.984
  349   1HB   PHE  37           2HB      PHE  37  -8.322   4.428   1.505
  350   2HB   PHE  37           3HB      PHE  37  -7.961   2.825   0.872
  351    HD1  PHE  37          2HD       PHE  37  -5.662   1.938   0.949
  352    HD2  PHE  37          1HD       PHE  37  -6.550   5.765   2.587
  353    HE1  PHE  37          2HE       PHE  37  -3.498   1.946   2.111
  354    HE2  PHE  37          1HE       PHE  37  -4.374   5.789   3.725
  355    HZ   PHE  37           HZ       PHE  37  -2.838   3.879   3.488
  356    QB   PHE  37           QB       PHE  37  -8.143   3.627   1.188
  357    QR   PHE  37           QR       PHE  37  -5.021   3.859   2.343
  358    CH2  TRP  38           CH2      TRP  38  -9.100   6.158  -8.079
  359    H    TRP  38           HN       TRP  38  -8.326   2.517  -1.700
  360    HA   TRP  38           HA       TRP  38 -10.800   3.951  -2.580
  361   1HB   TRP  38           2HB      TRP  38  -9.206   1.787  -3.995
  362   2HB   TRP  38           3HB      TRP  38 -10.670   2.510  -4.601
  363    HD1  TRP  38           HD1      TRP  38  -7.374   4.155  -3.248
  364    HE1  TRP  38           HE1      TRP  38  -6.693   5.998  -4.749
  365    HE3  TRP  38           HE3      TRP  38 -10.885   3.569  -6.775
  366    HZ2  TRP  38           HZ2      TRP  38  -7.382   7.060  -7.184
  367    HZ3  TRP  38           HZ3      TRP  38 -10.823   5.086  -8.736
  368    HH2  TRP  38           HH2      TRP  38  -9.084   6.804  -8.945
  369    QB   TRP  38           QB       TRP  38  -9.939   2.148  -4.298
  370    H    LYS  39           HN       LYS  39  -9.365   0.779  -1.905
  371    HA   LYS  39           HA       LYS  39 -11.741   0.064  -0.303
  372   1HB   LYS  39           2HB      LYS  39 -11.582  -0.826  -2.940
  373   2HB   LYS  39           3HB      LYS  39 -10.971  -2.186  -2.006
  374   1HG   LYS  39           2HG      LYS  39 -13.309  -2.550  -2.032
  375   2HG   LYS  39           3HG      LYS  39 -13.031  -1.814  -0.462
  376   1HD   LYS  39           2HD      LYS  39 -13.449   0.311  -2.364
  377   2HD   LYS  39           3HD      LYS  39 -14.704  -0.880  -2.622
  378   1HE   LYS  39           2HE      LYS  39 -15.684   0.465  -0.987
  379   2HE   LYS  39           3HE      LYS  39 -14.980  -0.808  -0.004
  380   1HZ   LYS  39           2HZ      LYS  39 -13.054   1.217  -0.397
  381   2HZ   LYS  39           3HZ      LYS  39 -14.491   1.946   0.111
  382   3HZ   LYS  39           1HZ      LYS  39 -13.801   0.743   1.066
  383    QB   LYS  39           QB       LYS  39 -11.277  -1.506  -2.473
  384    QG   LYS  39           QG       LYS  39 -13.170  -2.182  -1.247
  385    QD   LYS  39           QD       LYS  39 -14.077  -0.285  -2.493
  386    QE   LYS  39           QE       LYS  39 -15.332  -0.171  -0.495
  387    QZ   LYS  39           QZ       LYS  39 -13.782   1.302   0.259
  388    HA   PRO  40           HA       PRO  40 -12.210  -0.958   1.699
  389   1HB   PRO  40           2HB      PRO  40 -10.826  -0.375   4.128
  390   2HB   PRO  40           3HB      PRO  40 -11.781  -1.816   3.752
  391   1HG   PRO  40           2HG      PRO  40  -8.813  -1.428   3.675
  392   2HG   PRO  40           3HG      PRO  40  -9.737  -2.903   3.986
  393   1HD   PRO  40           2HD      PRO  40  -8.454  -2.435   1.602
  394   2HD   PRO  40           3HD      PRO  40  -9.948  -3.390   1.695
  395    QB   PRO  40           QB       PRO  40 -11.304  -1.096   3.940
  396    QG   PRO  40           QG       PRO  40  -9.275  -2.166   3.831
  397    QD   PRO  40           QD       PRO  40  -9.201  -2.913   1.648
  398    H    ASP  41           HN       ASP  41 -12.098   1.037   3.681
  399    HA   ASP  41           HA       ASP  41 -11.374   3.389   1.980
  400   1HB   ASP  41           2HB      ASP  41 -13.329   3.293   4.303
  401   2HB   ASP  41           3HB      ASP  41 -13.189   4.535   3.062
  402    QB   ASP  41           QB       ASP  41 -13.258   3.914   3.683
  403    H    SER  42           HN       SER  42 -11.651   2.570   5.433
  404    HA   SER  42           HA       SER  42  -9.408   4.473   5.931
  405   1HB   SER  42           2HB      SER  42 -10.180   4.537   8.282
  406   2HB   SER  42           3HB      SER  42 -11.561   4.855   7.214
  407    HG   SER  42           HG       SER  42 -11.261   2.219   7.422
  408    QB   SER  42           QB       SER  42 -10.871   4.697   7.748
  409    H    VAL  43           HN       VAL  43  -7.548   3.494   5.925
  410    HA   VAL  43           HA       VAL  43  -6.644   1.004   5.837
  411    HB   VAL  43           HB       VAL  43  -5.205   2.991   6.058
  412   1HG1  VAL  43           3HG      VAL  43  -6.418   4.035   7.977
  413   2HG1  VAL  43           1HG      VAL  43  -5.757   2.796   9.041
  414   3HG1  VAL  43           2HG      VAL  43  -4.684   3.940   8.251
  415   1HG2  VAL  43           1HG      VAL  43  -4.540   0.803   8.050
  416   2HG2  VAL  43           2HG      VAL  43  -4.136   0.806   6.338
  417   3HG2  VAL  43           3HG      VAL  43  -3.391   1.976   7.417
  418    QG1  VAL  43           QG1      VAL  43  -5.620   3.590   8.423
  419    QG2  VAL  43           QG2      VAL  43  -4.022   1.195   7.268
  420    QQG  VAL  43           QQG      VAL  43  -4.821   2.392   7.846
  421    H    THR  44           HN       THR  44  -7.867   2.404   8.771
  422    HA   THR  44           HA       THR  44  -7.336   0.664  10.771
  423    HB   THR  44           HB       THR  44 -10.119   1.153  11.046
  424    HG1  THR  44          1HG       THR  44 -10.368   2.546   9.393
  425   1HG2  THR  44           3HG      THR  44  -8.239   1.736  12.684
  426   2HG2  THR  44           1HG      THR  44  -7.779   3.048  11.604
  427   3HG2  THR  44           2HG      THR  44  -9.345   3.078  12.407
  428    QG2  THR  44           QG2      THR  44  -8.455   2.621  12.232
  429    H    GLN  45           HN       GLN  45  -9.775  -0.013   8.213
  430    HA   GLN  45           HA       GLN  45 -10.242  -2.647   9.492
  431   1HB   GLN  45           2HB      GLN  45 -11.841  -3.040   7.620
  432   2HB   GLN  45           3HB      GLN  45 -12.223  -1.611   8.551
  433   1HG   GLN  45           2HG      GLN  45 -10.411  -1.098   6.262
  434   2HG   GLN  45           3HG      GLN  45 -11.973  -1.746   5.788
  435   1HE2  GLN  45           2HE      GLN  45 -12.835   1.504   7.989
  436   2HE2  GLN  45           1HE      GLN  45 -12.266   0.075   8.706
  437    QB   GLN  45           QB       GLN  45 -12.032  -2.325   8.085
  438    QG   GLN  45           QG       GLN  45 -11.192  -1.422   6.025
  439    QE2  GLN  45           QE2      GLN  45 -12.550   0.790   8.348
  440    H    ILE  46           HN       ILE  46  -7.637  -2.467   8.837
  441    HA   ILE  46           HA       ILE  46  -7.433  -4.427   6.578
  442    HB   ILE  46           HB       ILE  46  -5.499  -2.166   7.200
  443   1HG1  ILE  46           2HG      ILE  46  -7.249  -2.798   4.784
  444   2HG1  ILE  46           3HG      ILE  46  -7.555  -1.525   5.955
  445   1HG2  ILE  46           1HG      ILE  46  -4.322  -4.257   6.548
  446   2HG2  ILE  46           2HG      ILE  46  -5.325  -4.378   5.111
  447   3HG2  ILE  46           3HG      ILE  46  -4.191  -3.040   5.296
  448   1HD1  ILE  46           1HD      ILE  46  -5.344  -0.498   5.336
  449   2HD1  ILE  46           2HD      ILE  46  -5.181  -1.708   4.071
  450   3HD1  ILE  46           3HD      ILE  46  -6.492  -0.538   4.002
  451    QG1  ILE  46           QG1      ILE  46  -7.402  -2.161   5.370
  452    QG2  ILE  46           QG2      ILE  46  -4.612  -3.891   5.652
  453    QD1  ILE  46           QD1      ILE  46  -5.673  -0.914   4.470
  454    H    LYS  47           HN       LYS  47  -7.035  -6.284   7.523
  455    HA   LYS  47           HA       LYS  47  -4.781  -6.525   9.446
  456   1HB   LYS  47           2HB      LYS  47  -7.626  -7.527   9.728
  457   2HB   LYS  47           3HB      LYS  47  -6.324  -8.326  10.579
  458   1HG   LYS  47           2HG      LYS  47  -6.780  -5.331  10.742
  459   2HG   LYS  47           3HG      LYS  47  -7.544  -6.451  11.855
  460   1HD   LYS  47           2HD      LYS  47  -5.641  -6.673  13.075
  461   2HD   LYS  47           3HD      LYS  47  -4.675  -6.992  11.649
  462   1HE   LYS  47           2HE      LYS  47  -5.581  -4.172  12.109
  463   2HE   LYS  47           3HE      LYS  47  -4.299  -4.805  13.133
  464   1HZ   LYS  47           2HZ      LYS  47  -3.580  -5.575  10.603
  465   2HZ   LYS  47           3HZ      LYS  47  -4.165  -3.988  10.403
  466   3HZ   LYS  47           1HZ      LYS  47  -2.907  -4.339  11.517
  467    QB   LYS  47           QB       LYS  47  -6.974  -7.927  10.154
  468    QG   LYS  47           QG       LYS  47  -7.162  -5.892  11.299
  469    QD   LYS  47           QD       LYS  47  -5.158  -6.832  12.362
  470    QE   LYS  47           QE       LYS  47  -4.941  -4.488  12.621
  471    QZ   LYS  47           QZ       LYS  47  -3.551  -4.634  10.841
  472    HA   PRO  48           HA       PRO  48  -3.359 -10.092   7.157
  473   1HB   PRO  48           2HB      PRO  48  -4.461 -11.966   9.195
  474   2HB   PRO  48           3HB      PRO  48  -2.824 -11.846   8.546
  475   1HG   PRO  48           2HG      PRO  48  -3.656 -10.871  11.049
  476   2HG   PRO  48           3HG      PRO  48  -2.171 -10.399  10.225
  477   1HD   PRO  48           2HD      PRO  48  -4.516  -8.787  10.720
  478   2HD   PRO  48           3HD      PRO  48  -3.013  -8.294   9.932
  479    QB   PRO  48           QB       PRO  48  -3.642 -11.906   8.870
  480    QG   PRO  48           QG       PRO  48  -2.913 -10.635  10.637
  481    QD   PRO  48           QD       PRO  48  -3.765  -8.540  10.326
  482    H    HIS  49           HN       HIS  49  -4.154 -11.391   5.609
  483    HA   HIS  49           HA       HIS  49  -5.626 -12.644   4.309
  484   1HB   HIS  49           2HB      HIS  49  -7.603 -12.564   6.585
  485   2HB   HIS  49           3HB      HIS  49  -7.480 -13.746   5.312
  486    HD1  HIS  49           HD1      HIS  49  -7.459 -14.837   7.988
  487    HD2  HIS  49           HD2      HIS  49  -3.909 -13.677   6.277
  488    HE1  HIS  49           HE1      HIS  49  -5.642 -16.052   9.235
  489    QB   HIS  49           QB       HIS  49  -7.541 -13.155   5.949
  490    H    SER  50           HN       SER  50  -5.585 -10.013   3.762
  491    HA   SER  50           HA       SER  50  -8.335  -9.585   2.809
  492   1HB   SER  50           2HB      SER  50  -8.222  -8.451   5.096
  493   2HB   SER  50           3HB      SER  50  -7.037  -7.339   4.385
  494    HG   SER  50           HG       SER  50  -9.661  -7.219   4.140
  495    QB   SER  50           QB       SER  50  -7.630  -7.895   4.740
  496    H    THR  51           HN       THR  51  -8.169  -7.089   1.831
  497    HA   THR  51           HA       THR  51  -5.697  -7.049   0.138
  498    HB   THR  51           HB       THR  51  -8.589  -6.763  -0.806
  499    HG1  THR  51          1HG       THR  51  -6.646  -8.770  -0.633
  500   1HG2  THR  51           3HG      THR  51  -5.960  -6.870  -2.341
  501   2HG2  THR  51           1HG      THR  51  -7.573  -6.842  -3.058
  502   3HG2  THR  51           2HG      THR  51  -6.970  -5.429  -2.196
  503    QG2  THR  51           QG2      THR  51  -6.834  -6.380  -2.532
  504    H    VAL  52           HN       VAL  52  -5.286  -4.971  -0.912
  505    HA   VAL  52           HA       VAL  52  -6.737  -2.636   0.244
  506    HB   VAL  52           HB       VAL  52  -3.714  -2.655   0.168
  507   1HG1  VAL  52           3HG      VAL  52  -5.764  -1.100   1.786
  508   2HG1  VAL  52           1HG      VAL  52  -4.020  -0.883   1.872
  509   3HG1  VAL  52           2HG      VAL  52  -4.880  -0.498   0.386
  510   1HG2  VAL  52           1HG      VAL  52  -5.475  -3.585   2.467
  511   2HG2  VAL  52           2HG      VAL  52  -4.308  -4.567   1.582
  512   3HG2  VAL  52           3HG      VAL  52  -3.752  -3.245   2.600
  513    QG1  VAL  52           QG1      VAL  52  -4.888  -0.827   1.348
  514    QG2  VAL  52           QG2      VAL  52  -4.512  -3.799   2.216
  515    QQG  VAL  52           QQG      VAL  52  -4.700  -2.313   1.781
  516    H    ASP  53           HN       ASP  53  -7.293  -1.325  -1.395
  517    HA   ASP  53           HA       ASP  53  -5.547  -1.205  -3.828
  518   1HB   ASP  53           2HB      ASP  53  -8.555  -1.000  -3.480
  519   2HB   ASP  53           3HB      ASP  53  -7.751  -0.455  -4.947
  520    QB   ASP  53           QB       ASP  53  -8.153  -0.727  -4.213
  521    H    PHE  54           HN       PHE  54  -4.389   0.639  -3.785
  522    HA   PHE  54           HA       PHE  54  -5.766   3.135  -2.899
  523   1HB   PHE  54           2HB      PHE  54  -3.724   3.873  -1.806
  524   2HB   PHE  54           3HB      PHE  54  -4.118   2.278  -1.194
  525    HD1  PHE  54          2HD       PHE  54  -2.964   0.251  -2.422
  526    HD2  PHE  54          1HD       PHE  54  -1.585   4.263  -2.750
  527    HE1  PHE  54          2HE       PHE  54  -0.763  -0.557  -3.115
  528    HE2  PHE  54          1HE       PHE  54   0.631   3.450  -3.397
  529    HZ   PHE  54           HZ       PHE  54   1.054   1.031  -3.565
  530    QB   PHE  54           QB       PHE  54  -3.921   3.075  -1.500
  531    QR   PHE  54           QR       PHE  54  -1.170   1.851  -2.921
  532    NH1  ARG  55           NH2      ARG  55  -6.998  10.146  -7.595
  533    NH2  ARG  55           NH1      ARG  55  -7.634   9.153  -5.644
  534    H    ARG  55           HN       ARG  55  -4.369   5.097  -3.606
  535    HA   ARG  55           HA       ARG  55  -3.721   4.673  -6.490
  536   1HB   ARG  55           2HB      ARG  55  -5.366   6.320  -6.406
  537   2HB   ARG  55           3HB      ARG  55  -4.747   6.993  -4.908
  538   1HG   ARG  55           2HG      ARG  55  -2.998   8.128  -5.982
  539   2HG   ARG  55           3HG      ARG  55  -3.109   7.133  -7.438
  540   1HD   ARG  55           2HD      ARG  55  -4.019   9.432  -7.736
  541   2HD   ARG  55           3HD      ARG  55  -5.223   8.186  -8.037
  542    HE   ARG  55           HE       ARG  55  -5.113   9.413  -5.319
  543   1HH1  ARG  55           2HH      ARG  55  -6.252  10.411  -8.216
  544   2HH1  ARG  55           1HH      ARG  55  -7.934  10.354  -7.850
  545   1HH2  ARG  55           2HH      ARG  55  -7.360   8.669  -4.814
  546   2HH2  ARG  55           1HH      ARG  55  -8.599   9.333  -5.814
  547    QB   ARG  55           QB       ARG  55  -5.057   6.657  -5.658
  548    QG   ARG  55           QG       ARG  55  -3.054   7.630  -6.710
  549    QD   ARG  55           QD       ARG  55  -4.621   8.809  -7.886
  550    QH1  ARG  55           QH2      ARG  55  -7.093  10.382  -8.033
  551    QH2  ARG  55           QH1      ARG  55  -7.979   9.002  -5.315
  552    H    VAL  56           HN       VAL  56  -1.799   5.410  -7.369
  553    HA   VAL  56           HA       VAL  56   0.388   5.956  -5.422
  554    HB   VAL  56           HB       VAL  56   1.804   5.148  -7.395
  555   1HG1  VAL  56           3HG      VAL  56  -0.236   3.239  -6.223
  556   2HG1  VAL  56           1HG      VAL  56   1.295   2.761  -6.953
  557   3HG1  VAL  56           2HG      VAL  56   1.283   3.698  -5.465
  558   1HG2  VAL  56           1HG      VAL  56   0.089   5.482  -9.160
  559   2HG2  VAL  56           2HG      VAL  56   0.673   3.822  -9.122
  560   3HG2  VAL  56           3HG      VAL  56  -0.890   4.215  -8.424
  561    QG1  VAL  56           QG1      VAL  56   0.781   3.232  -6.214
  562    QG2  VAL  56           QG2      VAL  56  -0.042   4.506  -8.902
  563    QQG  VAL  56           QQG      VAL  56   0.369   3.869  -7.558
  564    H    LYS  57           HN       LYS  57  -1.434   7.865  -6.482
  565    HA   LYS  57           HA       LYS  57  -1.639   9.920  -7.457
  566   1HB   LYS  57           2HB      LYS  57   1.331  10.024  -6.955
  567   2HB   LYS  57           3HB      LYS  57   0.195  11.367  -7.057
  568   1HG   LYS  57           2HG      LYS  57  -1.118  10.103  -5.175
  569   2HG   LYS  57           3HG      LYS  57   0.400   9.268  -4.905
  570   1HD   LYS  57           2HD      LYS  57   0.105  12.295  -4.869
  571   2HD   LYS  57           3HD      LYS  57   0.045  11.284  -3.433
  572   1HE   LYS  57           2HE      LYS  57   2.295  12.117  -3.626
  573   2HE   LYS  57           3HE      LYS  57   2.334  10.408  -4.033
  574   1HZ   LYS  57           3HZ      LYS  57   1.846  11.878  -6.386
  575   2HZ   LYS  57           1HZ      LYS  57   3.178  12.561  -5.596
  576   3HZ   LYS  57           2HZ      LYS  57   3.184  10.914  -6.012
  577    QB   LYS  57           QB       LYS  57   0.763  10.695  -7.006
  578    QG   LYS  57           QG       LYS  57  -0.359   9.685  -5.040
  579    QD   LYS  57           QD       LYS  57   0.075  11.789  -4.151
  580    QE   LYS  57           QE       LYS  57   2.314  11.263  -3.830
  581    QZ   LYS  57           QZ       LYS  57   2.736  11.784  -5.998
  582    H    ALA  58           HN       ALA  58   1.530   8.861  -8.873
  583    HA   ALA  58           HA       ALA  58   1.350   7.977 -11.277
  584   1HB   ALA  58           2HB      ALA  58  -0.101  10.596 -11.710
  585   2HB   ALA  58           3HB      ALA  58   0.412   9.491 -12.983
  586   3HB   ALA  58           1HB      ALA  58  -0.797   8.988 -11.816
  587    QB   ALA  58           QB       ALA  58  -0.162   9.691 -12.169
  588    H    GLU  59           HN       GLU  59   2.191  11.116 -10.013
  589    HA   GLU  59           HA       GLU  59   3.914  11.825 -12.197
  590   1HB   GLU  59           2HB      GLU  59   4.718  13.613 -10.788
  591   2HB   GLU  59           3HB      GLU  59   2.995  13.436 -10.521
  592   1HG   GLU  59           2HG      GLU  59   5.197  12.394  -8.705
  593   2HG   GLU  59           3HG      GLU  59   4.112  13.736  -8.373
  594    QB   GLU  59           QB       GLU  59   3.856  13.524 -10.655
  595    QG   GLU  59           QG       GLU  59   4.655  13.064  -8.539
  596    H    ASP  60           HN       ASP  60   4.506   9.942  -9.310
  597    HA   ASP  60           HA       ASP  60   7.357   9.572 -10.162
  598   1HB   ASP  60           2HB      ASP  60   6.007   9.808  -7.520
  599   2HB   ASP  60           3HB      ASP  60   7.331   8.659  -7.609
  600    QB   ASP  60           QB       ASP  60   6.669   9.234  -7.564
  601    H    ILE  61           HN       ILE  61   4.428   7.862  -9.812
  602    HA   ILE  61           HA       ILE  61   4.145   5.519  -9.112
  603    HB   ILE  61           HB       ILE  61   4.955   5.796 -12.017
  604   1HG1  ILE  61           2HG      ILE  61   2.221   5.741 -10.715
  605   2HG1  ILE  61           3HG      ILE  61   3.087   7.207 -11.147
  606   1HG2  ILE  61           3HG      ILE  61   4.997   3.396 -11.276
  607   2HG2  ILE  61           1HG      ILE  61   3.373   3.584 -10.626
  608   3HG2  ILE  61           2HG      ILE  61   3.652   3.701 -12.357
  609   1HD1  ILE  61           3HD      ILE  61   2.303   5.029 -13.120
  610   2HD1  ILE  61           1HD      ILE  61   1.470   6.563 -12.919
  611   3HD1  ILE  61           2HD      ILE  61   3.124   6.537 -13.515
  612    QG1  ILE  61           QG1      ILE  61   2.654   6.474 -10.930
  613    QG2  ILE  61           QG2      ILE  61   4.008   3.560 -11.420
  614    QD1  ILE  61           QD1      ILE  61   2.299   6.043 -13.184
  615    H    LEU  62           HN       LEU  62   6.799   5.199 -11.435
  616    HA   LEU  62           HA       LEU  62   7.928   2.843 -10.565
  617   1HB   LEU  62           2HB      LEU  62   9.483   5.292 -11.449
  618   2HB   LEU  62           3HB      LEU  62  10.105   3.651 -11.441
  619    HG   LEU  62           HG       LEU  62   7.608   4.414 -12.994
  620   1HD1  LEU  62           2HD      LEU  62  10.493   4.339 -13.956
  621   2HD1  LEU  62           3HD      LEU  62   9.080   4.567 -14.982
  622   3HD1  LEU  62           1HD      LEU  62   9.509   5.790 -13.793
  623   1HD2  LEU  62           1HD      LEU  62   9.595   2.118 -13.243
  624   2HD2  LEU  62           2HD      LEU  62   7.983   1.996 -12.549
  625   3HD2  LEU  62           3HD      LEU  62   8.175   2.359 -14.258
  626    QB   LEU  62           QB       LEU  62   9.793   4.472 -11.446
  627    QD1  LEU  62           QD1      LEU  62   9.695   4.899 -14.244
  628    QD2  LEU  62           QD2      LEU  62   8.584   2.158 -13.350
  629    QQD  LEU  62           QQD      LEU  62   9.139   3.528 -13.797
  630    H    ALA  63           HN       ALA  63   8.836   6.034  -9.314
  631    HA   ALA  63           HA       ALA  63  10.687   4.993  -7.344
  632   1HB   ALA  63           2HB      ALA  63   9.340   7.702  -7.538
  633   2HB   ALA  63           3HB      ALA  63  10.694   7.321  -6.477
  634   3HB   ALA  63           1HB      ALA  63  10.902   7.272  -8.225
  635    QB   ALA  63           QB       ALA  63  10.312   7.431  -7.413
  636    H    VAL  64           HN       VAL  64   7.508   4.650  -7.413
  637    HA   VAL  64           HA       VAL  64   7.077   4.788  -4.438
  638    HB   VAL  64           HB       VAL  64   4.971   4.261  -6.587
  639   1HG1  VAL  64           2HG      VAL  64   4.446   3.687  -4.228
  640   2HG1  VAL  64           3HG      VAL  64   4.754   5.356  -3.764
  641   3HG1  VAL  64           1HG      VAL  64   3.414   4.974  -4.839
  642   1HG2  VAL  64           1HG      VAL  64   6.000   6.450  -7.100
  643   2HG2  VAL  64           2HG      VAL  64   4.355   6.650  -6.508
  644   3HG2  VAL  64           3HG      VAL  64   5.718   6.976  -5.445
  645    QG1  VAL  64           QG1      VAL  64   4.205   4.672  -4.277
  646    QG2  VAL  64           QG2      VAL  64   5.358   6.692  -6.351
  647    QQG  VAL  64           QQG      VAL  64   4.781   5.681  -5.314
  648    H    GLU  65           HN       GLU  65   6.568   2.895  -7.372
  649    HA   GLU  65           HA       GLU  65   5.928   0.404  -6.207
  650   1HB   GLU  65           2HB      GLU  65   7.713   0.954  -8.634
  651   2HB   GLU  65           3HB      GLU  65   6.931  -0.584  -8.277
  652   1HG   GLU  65           2HG      GLU  65   4.701   0.522  -8.407
  653   2HG   GLU  65           3HG      GLU  65   5.476   2.048  -8.789
  654    QB   GLU  65           QB       GLU  65   7.322   0.185  -8.456
  655    QG   GLU  65           QG       GLU  65   5.089   1.284  -8.598
  656    H    ASP  66           HN       ASP  66   8.870   2.142  -6.748
  657    HA   ASP  66           HA       ASP  66  10.918   0.561  -5.782
  658   1HB   ASP  66           2HB      ASP  66  11.176   2.917  -6.556
  659   2HB   ASP  66           3HB      ASP  66  10.381   3.486  -5.097
  660    QB   ASP  66           QB       ASP  66  10.778   3.201  -5.827
  661    H    PHE  67           HN       PHE  67   9.105   2.833  -3.684
  662    HA   PHE  67           HA       PHE  67   9.823   1.918  -1.164
  663   1HB   PHE  67           2HB      PHE  67   8.314   3.814  -1.359
  664   2HB   PHE  67           3HB      PHE  67   7.072   2.808  -2.079
  665    HD1  PHE  67          1HD       PHE  67   6.040   0.956  -0.715
  666    HD2  PHE  67          2HD       PHE  67   8.510   3.907   1.105
  667    HE1  PHE  67          1HE       PHE  67   5.257   0.241   1.494
  668    HE2  PHE  67          2HE       PHE  67   7.735   3.178   3.321
  669    HZ   PHE  67           HZ       PHE  67   6.129   1.327   3.534
  670    QB   PHE  67           QB       PHE  67   7.693   3.311  -1.719
  671    QR   PHE  67           QR       PHE  67   6.885   2.070   1.301
  672    H    LEU  68           HN       LEU  68   7.212   0.681  -3.140
  673    HA   LEU  68           HA       LEU  68   6.466  -1.412  -1.280
  674   1HB   LEU  68           2HB      LEU  68   6.076  -1.382  -4.291
  675   2HB   LEU  68           3HB      LEU  68   5.202  -2.385  -3.145
  676    HG   LEU  68           HG       LEU  68   5.142   0.663  -3.121
  677   1HD1  LEU  68           3HD      LEU  68   4.101  -0.322  -5.162
  678   2HD1  LEU  68           1HD      LEU  68   3.099  -1.346  -4.143
  679   3HD1  LEU  68           2HD      LEU  68   2.898   0.403  -4.107
  680   1HD2  LEU  68           2HD      LEU  68   4.655  -0.452  -0.927
  681   2HD2  LEU  68           3HD      LEU  68   3.223   0.323  -1.588
  682   3HD2  LEU  68           1HD      LEU  68   3.422  -1.421  -1.712
  683    QB   LEU  68           QB       LEU  68   5.639  -1.883  -3.717
  684    QD1  LEU  68           QD1      LEU  68   3.366  -0.422  -4.471
  685    QD2  LEU  68           QD2      LEU  68   3.767  -0.517  -1.409
  686    QQD  LEU  68           QQD      LEU  68   3.567  -0.469  -2.940
  687    H    GLU  69           HN       GLU  69   8.964  -1.312  -3.694
  688    HA   GLU  69           HA       GLU  69   9.296  -4.249  -3.628
  689   1HB   GLU  69           2HB      GLU  69   9.520  -2.820  -5.710
  690   2HB   GLU  69           3HB      GLU  69  11.009  -2.186  -5.035
  691   1HG   GLU  69           2HG      GLU  69  12.136  -4.219  -5.229
  692   2HG   GLU  69           3HG      GLU  69  10.653  -5.172  -5.179
  693    QB   GLU  69           QB       GLU  69  10.265  -2.503  -5.373
  694    QG   GLU  69           QG       GLU  69  11.394  -4.695  -5.205
  695    H    GLN  70           HN       GLN  70  11.203  -1.389  -2.790
  696    HA   GLN  70           HA       GLN  70  13.549  -2.515  -1.848
  697   1HB   GLN  70           2HB      GLN  70  13.591  -0.651  -0.122
  698   2HB   GLN  70           3HB      GLN  70  13.299  -0.115  -1.772
  699   1HG   GLN  70           2HG      GLN  70  10.911   0.028  -1.350
  700   2HG   GLN  70           3HG      GLN  70  11.092  -0.681   0.237
  701   1HE2  GLN  70           2HE      GLN  70  12.065   3.232  -0.335
  702   2HE2  GLN  70           1HE      GLN  70  11.887   2.221  -1.692
  703    QB   GLN  70           QB       GLN  70  13.445  -0.384  -0.947
  704    QG   GLN  70           QG       GLN  70  11.001  -0.327  -0.556
  705    QE2  GLN  70           QE2      GLN  70  11.975   2.727  -1.013
  706    H    ASN  71           HN       ASN  71  10.424  -2.614  -0.268
  707    HA   ASN  71           HA       ASN  71  11.570  -4.344   1.864
  708   1HB   ASN  71           2HB      ASN  71   9.422  -3.548   3.116
  709   2HB   ASN  71           3HB      ASN  71  10.774  -2.431   3.004
  710   1HD2  ASN  71           2HD      ASN  71   8.688  -0.064   1.442
  711   2HD2  ASN  71           1HD      ASN  71   9.914  -0.359   2.570
  712    QB   ASN  71           QB       ASN  71  10.099  -2.989   3.059
  713    QD2  ASN  71           QD2      ASN  71   9.301  -0.211   2.006
  714    H    GLU  72           HN       GLU  72  10.871  -5.114  -0.676
  715    HA   GLU  72           HA       GLU  72   9.223  -6.278  -1.976
  716   1HB   GLU  72           2HB      GLU  72  10.182  -8.237   0.120
  717   2HB   GLU  72           3HB      GLU  72   9.794  -8.579  -1.560
  718   1HG   GLU  72           2HG      GLU  72  11.646  -6.972  -2.227
  719   2HG   GLU  72           3HG      GLU  72  12.093  -6.881  -0.524
  720    QB   GLU  72           QB       GLU  72   9.988  -8.408  -0.719
  721    QG   GLU  72           QG       GLU  72  11.869  -6.927  -1.375
  722    H    LEU  73           HN       LEU  73   7.312  -5.077  -0.988
  723    HA   LEU  73           HA       LEU  73   5.722  -6.648   0.892
  724   1HB   LEU  73           2HB      LEU  73   4.935  -4.280  -0.838
  725   2HB   LEU  73           3HB      LEU  73   4.034  -4.914   0.518
  726    HG   LEU  73           HG       LEU  73   6.800  -3.724   0.661
  727   1HD1  LEU  73           3HD      LEU  73   4.992  -2.069   0.277
  728   2HD1  LEU  73           1HD      LEU  73   4.119  -2.705   1.665
  729   3HD1  LEU  73           2HD      LEU  73   5.665  -1.898   1.892
  730   1HD2  LEU  73           1HD      LEU  73   6.418  -5.504   2.363
  731   2HD2  LEU  73           2HD      LEU  73   6.568  -3.919   3.088
  732   3HD2  LEU  73           3HD      LEU  73   4.975  -4.649   2.905
  733    QB   LEU  73           QB       LEU  73   4.484  -4.598  -0.160
  734    QD1  LEU  73           QD1      LEU  73   4.925  -2.224   1.278
  735    QD2  LEU  73           QD2      LEU  73   5.987  -4.691   2.785
  736    QQD  LEU  73           QQD      LEU  73   5.456  -3.457   2.031
  737    H    GLN  74           HN       GLN  74   3.306  -6.868   0.123
  738    HA   GLN  74           HA       GLN  74   3.450  -8.597  -2.305
  739   1HB   GLN  74           2HB      GLN  74   1.196  -8.339  -0.285
  740   2HB   GLN  74           3HB      GLN  74   1.443  -9.630  -1.460
  741   1HG   GLN  74           2HG      GLN  74   3.862  -9.580  -0.060
  742   2HG   GLN  74           3HG      GLN  74   2.670  -9.242   1.193
  743   1HE2  GLN  74           2HE      GLN  74   1.008 -12.490   0.010
  744   2HE2  GLN  74           1HE      GLN  74   0.572 -10.881  -0.320
  745    QB   GLN  74           QB       GLN  74   1.319  -8.985  -0.872
  746    QG   GLN  74           QG       GLN  74   3.266  -9.411   0.567
  747    QE2  GLN  74           QE2      GLN  74   0.790 -11.687  -0.156
  748    OH   TYR  75           OH       TYR  75   7.658  -5.860  -6.919
  749    H    TYR  75           HN       TYR  75   3.665  -6.482  -3.395
  750    HA   TYR  75           HA       TYR  75   1.086  -5.030  -3.704
  751   1HB   TYR  75           2HB      TYR  75   2.441  -3.301  -4.811
  752   2HB   TYR  75           3HB      TYR  75   3.160  -3.725  -3.262
  753    HD1  TYR  75           HD1      TYR  75   5.213  -5.138  -3.186
  754    HD2  TYR  75           HD2      TYR  75   3.595  -3.860  -6.911
  755    HE1  TYR  75           HE1      TYR  75   7.222  -5.919  -4.326
  756    HE2  TYR  75           HE2      TYR  75   5.633  -4.614  -8.049
  757    HH   TYR  75           HH       TYR  75   8.335  -5.162  -7.014
  758    QB   TYR  75           QB       TYR  75   2.800  -3.513  -4.037
  759    QR   TYR  75           QR       TYR  75   5.415  -4.883  -5.618
  760    H    GLU  76           HN       GLU  76   0.395  -4.402  -5.832
  761    HA   GLU  76           HA       GLU  76   1.341  -5.694  -8.239
  762   1HB   GLU  76           2HB      GLU  76  -0.488  -7.258  -8.613
  763   2HB   GLU  76           3HB      GLU  76   0.186  -7.623  -7.034
  764   1HG   GLU  76           2HG      GLU  76  -1.579  -6.214  -5.980
  765   2HG   GLU  76           3HG      GLU  76  -2.276  -5.943  -7.573
  766    QB   GLU  76           QB       GLU  76  -0.150  -7.441  -7.824
  767    QG   GLU  76           QG       GLU  76  -1.927  -6.078  -6.776
  768    H    VAL  77           HN       VAL  77  -0.844  -5.565  -9.825
  769    HA   VAL  77           HA       VAL  77  -1.982  -2.825  -9.428
  770    HB   VAL  77           HB       VAL  77  -1.100  -4.069 -12.078
  771   1HG1  VAL  77           1HG      VAL  77  -2.109  -1.283 -11.381
  772   2HG1  VAL  77           2HG      VAL  77  -1.347  -1.700 -12.912
  773   3HG1  VAL  77           3HG      VAL  77  -2.866  -2.448 -12.472
  774   1HG2  VAL  77           1HG      VAL  77   0.233  -1.914 -10.388
  775   2HG2  VAL  77           2HG      VAL  77   0.858  -3.533 -10.685
  776   3HG2  VAL  77           3HG      VAL  77   0.740  -2.381 -12.009
  777    QG1  VAL  77           QG1      VAL  77  -2.107  -1.810 -12.255
  778    QG2  VAL  77           QG2      VAL  77   0.610  -2.610 -11.027
  779    QQG  VAL  77           QQG      VAL  77  -0.749  -2.209 -11.641
  780    H    LEU  78           HN       LEU  78  -3.935  -2.702 -11.227
  781    HA   LEU  78           HA       LEU  78  -5.768  -4.804 -10.427
  782   1HB   LEU  78           2HB      LEU  78  -6.186  -2.674 -12.546
  783   2HB   LEU  78           3HB      LEU  78  -7.433  -3.614 -11.739
  784    HG   LEU  78           HG       LEU  78  -5.588  -1.552 -10.454
  785   1HD1  LEU  78           1HD      LEU  78  -8.599  -1.700 -10.813
  786   2HD1  LEU  78           2HD      LEU  78  -7.743  -0.428  -9.953
  787   3HD1  LEU  78           3HD      LEU  78  -7.511  -0.624 -11.688
  788   1HD2  LEU  78           3HD      LEU  78  -7.626  -3.416  -9.185
  789   2HD2  LEU  78           1HD      LEU  78  -5.891  -3.399  -8.875
  790   3HD2  LEU  78           2HD      LEU  78  -6.888  -2.047  -8.365
  791    QB   LEU  78           QB       LEU  78  -6.810  -3.143 -12.142
  792    QD1  LEU  78           QD1      LEU  78  -7.951  -0.917 -10.818
  793    QD2  LEU  78           QD2      LEU  78  -6.802  -2.954  -8.808
  794    QQD  LEU  78           QQD      LEU  78  -7.377  -1.935  -9.813
  795    H    ILE  79           HN       ILE  79  -4.243  -6.424 -11.299
  796    HA   ILE  79           HA       ILE  79  -3.979  -6.861 -14.111
  797    HB   ILE  79           HB       ILE  79  -3.704  -9.359 -13.093
  798   1HG1  ILE  79           2HG      ILE  79  -2.748  -9.296 -10.843
  799   2HG1  ILE  79           3HG      ILE  79  -3.046  -7.581 -10.721
  800   1HG2  ILE  79           3HG      ILE  79  -1.723  -7.083 -12.772
  801   2HG2  ILE  79           1HG      ILE  79  -1.308  -8.794 -12.774
  802   3HG2  ILE  79           2HG      ILE  79  -1.957  -8.046 -14.230
  803   1HD1  ILE  79           2HD      ILE  79  -5.182  -9.732 -10.979
  804   2HD1  ILE  79           3HD      ILE  79  -4.767  -8.865  -9.505
  805   3HD1  ILE  79           1HD      ILE  79  -5.505  -8.009 -10.854
  806    QG1  ILE  79           QG1      ILE  79  -2.898  -8.438 -10.782
  807    QG2  ILE  79           QG2      ILE  79  -1.662  -7.975 -13.259
  808    QD1  ILE  79           QD1      ILE  79  -5.151  -8.869 -10.446
  809    H    ASN  80           HN       ASN  80  -6.084  -6.456 -14.851
  810    HA   ASN  80           HA       ASN  80  -7.927  -7.460 -16.020
  811   1HB   ASN  80           2HB      ASN  80  -7.106  -9.797 -15.479
  812   2HB   ASN  80           3HB      ASN  80  -7.899  -9.665 -13.915
  813   1HD2  ASN  80           2HD      ASN  80 -11.216  -9.559 -15.518
  814   2HD2  ASN  80           1HD      ASN  80 -10.383  -8.614 -14.391
  815    QB   ASN  80           QB       ASN  80  -7.503  -9.731 -14.696
  816    QD2  ASN  80           QD2      ASN  80 -10.799  -9.086 -14.955
  817    H    ASN  81           HN       ASN  81  -7.826  -7.843 -12.555
  818    HA   ASN  81           HA       ASN  81 -10.316  -6.215 -12.303
  819   1HB   ASN  81           2HB      ASN  81  -9.478  -8.563 -10.549
  820   2HB   ASN  81           3HB      ASN  81 -10.943  -7.604 -10.369
  821   1HD2  ASN  81                 ASN  81 -11.057 -10.742 -12.799
  822   2HD2  ASN  81           1HD      ASN  81  -9.869 -10.501 -11.613
  823    QB   ASN  81           QB       ASN  81 -10.211  -8.084 -10.459
  824    QD2  ASN  81           QD2      ASN  81 -10.463 -10.622 -12.206
   
  Start of MODEL          17
 Raw file had 824 H/Q atoms
  Start of MODEL   17
    1   1H    HIS   1           HN1      HIS   1   7.207  14.180  -6.823
    2   2H    HIS   1           HN2      HIS   1   5.857  13.704  -7.654
    3   3H    HIS   1           HN3      HIS   1   6.887  14.818  -8.317
    4    HA   HIS   1           HA       HIS   1   5.751  16.459  -7.441
    5   1HB   HIS   1           2HB      HIS   1   3.884  14.798  -7.627
    6   2HB   HIS   1           3HB      HIS   1   4.169  14.341  -5.970
    7    HD1  HIS   1           HD1      HIS   1   4.015  16.473  -4.305
    8    HD2  HIS   1           HD2      HIS   1   1.935  16.804  -7.841
    9    HE1  HIS   1           HE1      HIS   1   2.251  18.238  -3.936
   10    QB   HIS   1           QB       HIS   1   4.026  14.570  -6.799
   11    H    HIS   2           HN       HIS   2   8.012  16.338  -6.369
   12    HA   HIS   2           HA       HIS   2   7.679  17.019  -3.487
   13   1HB   HIS   2           2HB      HIS   2   9.990  15.723  -3.265
   14   2HB   HIS   2           3HB      HIS   2   8.471  14.877  -3.100
   15    HD1  HIS   2           HD1      HIS   2   7.824  13.268  -4.950
   16    HD2  HIS   2           HD2      HIS   2  11.415  15.151  -5.759
   17    HE1  HIS   2           HE1      HIS   2   8.724  12.241  -7.043
   18    QB   HIS   2           QB       HIS   2   9.231  15.300  -3.183
   19    H    SER   3           HN       SER   3   7.866  18.590  -5.681
   20    HA   SER   3           HA       SER   3   9.050  20.798  -5.700
   21   1HB   SER   3           2HB      SER   3  11.508  18.986  -5.818
   22   2HB   SER   3           3HB      SER   3  11.534  20.704  -6.254
   23    HG   SER   3           HG       SER   3  11.157  19.491  -3.778
   24    QB   SER   3           QB       SER   3  11.521  19.845  -6.036
   25    H    GLY   4           HN       GLY   4   9.443  17.795  -7.392
   26   1HA   GLY   4           1HA      GLY   4   8.936  19.168  -9.996
   27   2HA   GLY   4           2HA      GLY   4  10.182  17.925  -9.881
   28    QA   GLY   4           QA       GLY   4   9.559  18.547  -9.938
   29    H    GLU   5           HN       GLU   5   8.088  17.513 -11.647
   30    HA   GLU   5           HA       GLU   5   6.266  15.632 -10.209
   31   1HB   GLU   5           2HB      GLU   5   5.935  16.987 -12.911
   32   2HB   GLU   5           3HB      GLU   5   4.794  15.844 -12.215
   33   1HG   GLU   5           2HG      GLU   5   5.556  18.566 -11.093
   34   2HG   GLU   5           3HG      GLU   5   3.983  18.078 -11.713
   35    QB   GLU   5           QB       GLU   5   5.365  16.415 -12.563
   36    QG   GLU   5           QG       GLU   5   4.769  18.322 -11.403
   37    H    HIS   6           HN       HIS   6   5.662  13.687 -11.329
   38    HA   HIS   6           HA       HIS   6   7.976  12.545 -12.849
   39   1HB   HIS   6           2HB      HIS   6   6.018  11.362 -10.898
   40   2HB   HIS   6           3HB      HIS   6   6.979  10.358 -11.935
   41    HD1  HIS   6           HD1      HIS   6   7.694   9.683  -9.452
   42    HD2  HIS   6           HD2      HIS   6   9.289  13.200 -10.833
   43    HE1  HIS   6           HE1      HIS   6   9.738  10.137  -8.039
   44    QB   HIS   6           QB       HIS   6   6.498  10.860 -11.417
   45    H    PHE   7           HN       PHE   7   7.146  10.382 -14.012
   46    HA   PHE   7           HA       PHE   7   4.762  11.231 -15.612
   47   1HB   PHE   7           2HB      PHE   7   6.772  11.633 -16.946
   48   2HB   PHE   7           3HB      PHE   7   7.336   9.995 -16.652
   49    HD1  PHE   7          2HD       PHE   7   3.717  10.499 -17.211
   50    HD2  PHE   7          1HD       PHE   7   7.441   9.640 -19.113
   51    HE1  PHE   7          2HE       PHE   7   2.526   9.717 -19.201
   52    HE2  PHE   7          1HE       PHE   7   6.235   8.863 -21.099
   53    HZ   PHE   7           HZ       PHE   7   3.781   8.902 -21.151
   54    QB   PHE   7           QB       PHE   7   7.054  10.814 -16.800
   55    QR   PHE   7           QR       PHE   7   4.980   9.680 -19.156
   56    H    GLU   8           HN       GLU   8   6.851   8.354 -15.517
   57    HA   GLU   8           HA       GLU   8   6.237   6.095 -15.777
   58   1HB   GLU   8           2HB      GLU   8   4.667   7.033 -13.365
   59   2HB   GLU   8           3HB      GLU   8   4.952   5.334 -13.749
   60   1HG   GLU   8           2HG      GLU   8   6.782   5.708 -12.382
   61   2HG   GLU   8           3HG      GLU   8   7.492   6.245 -13.902
   62    QB   GLU   8           QB       GLU   8   4.809   6.183 -13.557
   63    QG   GLU   8           QG       GLU   8   7.136   5.976 -13.142
   64    H    GLY   9           HN       GLY   9   3.120   7.253 -14.574
   65   1HA   GLY   9           1HA      GLY   9   1.383   7.435 -16.543
   66   2HA   GLY   9           2HA      GLY   9   1.778   5.728 -16.749
   67    QA   GLY   9           QA       GLY   9   1.580   6.581 -16.646
   68    H    GLU  10           HN       GLU  10  -0.716   7.180 -15.907
   69    HA   GLU  10           HA       GLU  10  -1.303   6.799 -13.174
   70   1HB   GLU  10           2HB      GLU  10  -3.083   6.664 -15.627
   71   2HB   GLU  10           3HB      GLU  10  -3.716   6.584 -13.999
   72   1HG   GLU  10           2HG      GLU  10  -2.211   8.822 -13.735
   73   2HG   GLU  10           3HG      GLU  10  -2.521   8.901 -15.466
   74    QB   GLU  10           QB       GLU  10  -3.400   6.624 -14.812
   75    QG   GLU  10           QG       GLU  10  -2.366   8.862 -14.600
   76    H    LYS  11           HN       LYS  11  -0.585   4.870 -12.335
   77    HA   LYS  11           HA       LYS  11  -1.762   2.370 -13.486
   78   1HB   LYS  11           2HB      LYS  11   0.566   2.816 -11.574
   79   2HB   LYS  11           3HB      LYS  11  -0.008   1.232 -12.069
   80   1HG   LYS  11           2HG      LYS  11   0.784   1.476 -14.258
   81   2HG   LYS  11           3HG      LYS  11   0.716   3.230 -14.202
   82   1HD   LYS  11           2HD      LYS  11   3.054   2.506 -14.148
   83   2HD   LYS  11           3HD      LYS  11   2.634   3.248 -12.612
   84   1HE   LYS  11           2HE      LYS  11   2.195   0.924 -11.704
   85   2HE   LYS  11           3HE      LYS  11   2.818   0.278 -13.216
   86   1HZ   LYS  11           3HZ      LYS  11   4.701   2.127 -12.224
   87   2HZ   LYS  11           1HZ      LYS  11   4.246   1.116 -10.941
   88   3HZ   LYS  11           2HZ      LYS  11   4.850   0.444 -12.374
   89    QB   LYS  11           QB       LYS  11   0.279   2.024 -11.822
   90    QG   LYS  11           QG       LYS  11   0.750   2.353 -14.230
   91    QD   LYS  11           QD       LYS  11   2.844   2.878 -13.379
   92    QE   LYS  11           QE       LYS  11   2.507   0.601 -12.459
   93    QZ   LYS  11           QZ       LYS  11   4.599   1.229 -11.846
   94    H    VAL  12           HN       VAL  12  -2.638   0.818 -11.941
   95    HA   VAL  12           HA       VAL  12  -3.707   2.139  -9.470
   96    HB   VAL  12           HB       VAL  12  -4.944  -0.178 -11.025
   97   1HG1  VAL  12           3HG      VAL  12  -5.536  -0.048  -8.604
   98   2HG1  VAL  12           1HG      VAL  12  -6.066   1.615  -8.832
   99   3HG1  VAL  12           2HG      VAL  12  -6.926   0.300  -9.629
  100   1HG2  VAL  12           2HG      VAL  12  -5.693   2.777 -11.026
  101   2HG2  VAL  12           3HG      VAL  12  -4.989   1.897 -12.379
  102   3HG2  VAL  12           1HG      VAL  12  -6.607   1.495 -11.814
  103    QG1  VAL  12           QG1      VAL  12  -6.176   0.623  -9.022
  104    QG2  VAL  12           QG2      VAL  12  -5.763   2.057 -11.740
  105    QQG  VAL  12           QQG      VAL  12  -5.969   1.340 -10.381
  106    H    PHE  13           HN       PHE  13  -3.441   0.930  -7.544
  107    HA   PHE  13           HA       PHE  13  -1.776  -1.543  -7.867
  108   1HB   PHE  13           2HB      PHE  13  -1.504   0.700  -5.847
  109   2HB   PHE  13           3HB      PHE  13  -0.694  -0.847  -5.677
  110    HD1  PHE  13          1HD       PHE  13  -1.077   1.867  -8.284
  111    HD2  PHE  13          2HD       PHE  13   1.490  -1.003  -6.439
  112    HE1  PHE  13          1HE       PHE  13   0.837   2.761  -9.530
  113    HE2  PHE  13          2HE       PHE  13   3.397  -0.095  -7.690
  114    HZ   PHE  13           HZ       PHE  13   3.080   1.789  -9.224
  115    QB   PHE  13           QB       PHE  13  -1.100  -0.074  -5.762
  116    QR   PHE  13           QR       PHE  13   1.161   0.882  -7.986
  117    NH1  ARG  14           NH1      ARG  14  -8.425  -5.906  -2.969
  118    NH2  ARG  14           NH2      ARG  14  -8.130  -7.767  -4.219
  119    H    ARG  14           HN       ARG  14  -1.884  -3.043  -6.211
  120    HA   ARG  14           HA       ARG  14  -4.051  -2.824  -4.205
  121   1HB   ARG  14           2HB      ARG  14  -5.214  -4.016  -5.907
  122   2HB   ARG  14           3HB      ARG  14  -3.781  -4.939  -6.352
  123   1HG   ARG  14           2HG      ARG  14  -3.881  -6.242  -4.327
  124   2HG   ARG  14           3HG      ARG  14  -5.089  -5.166  -3.624
  125   1HD   ARG  14           2HD      ARG  14  -5.741  -6.487  -6.241
  126   2HD   ARG  14           3HD      ARG  14  -5.787  -7.475  -4.788
  127    HE   ARG  14           HE       ARG  14  -7.455  -4.973  -5.172
  128   1HH1  ARG  14           2HH      ARG  14  -8.273  -4.922  -2.848
  129   2HH1  ARG  14           1HH      ARG  14  -8.933  -6.421  -2.275
  130   1HH2  ARG  14           2HH      ARG  14  -7.743  -8.204  -5.046
  131   2HH2  ARG  14           1HH      ARG  14  -8.644  -8.318  -3.568
  132    QB   ARG  14           QB       ARG  14  -4.497  -4.478  -6.129
  133    QG   ARG  14           QG       ARG  14  -4.485  -5.705  -3.975
  134    QD   ARG  14           QD       ARG  14  -5.764  -6.982  -5.515
  135    QH1  ARG  14           QH1      ARG  14  -8.603  -5.672  -2.562
  136    QH2  ARG  14           QH2      ARG  14  -8.193  -8.261  -4.306
  137    H    VAL  15           HN       VAL  15  -3.306  -3.628  -2.253
  138    HA   VAL  15           HA       VAL  15  -0.697  -5.131  -2.343
  139    HB   VAL  15           HB       VAL  15  -1.705  -3.589   0.064
  140   1HG1  VAL  15           3HG      VAL  15   0.212  -5.144   0.348
  141   2HG1  VAL  15           1HG      VAL  15   1.081  -4.300  -0.926
  142   3HG1  VAL  15           2HG      VAL  15   0.709  -3.472   0.584
  143   1HG2  VAL  15           3HG      VAL  15  -0.076  -2.452  -2.240
  144   2HG2  VAL  15           1HG      VAL  15  -1.721  -1.987  -1.811
  145   3HG2  VAL  15           2HG      VAL  15  -0.390  -1.630  -0.713
  146    QG1  VAL  15           QG1      VAL  15   0.668  -4.305   0.002
  147    QG2  VAL  15           QG2      VAL  15  -0.729  -2.023  -1.588
  148    QQG  VAL  15           QQG      VAL  15  -0.030  -3.164  -0.793
  149    H    ASN  16           HN       ASN  16  -0.747  -7.172  -1.504
  150    HA   ASN  16           HA       ASN  16  -3.234  -7.968  -0.051
  151   1HB   ASN  16           2HB      ASN  16  -2.643  -9.263  -2.094
  152   2HB   ASN  16           3HB      ASN  16  -1.116  -9.717  -1.347
  153   1HD2  ASN  16           2HD      ASN  16  -2.711 -12.480   0.145
  154   2HD2  ASN  16           1HD      ASN  16  -1.327 -11.862  -0.625
  155    QB   ASN  16           QB       ASN  16  -1.879  -9.491  -1.721
  156    QD2  ASN  16           QD2      ASN  16  -2.019 -12.171  -0.240
  157    H    VAL  17           HN       VAL  17  -2.065  -6.659   1.721
  158    HA   VAL  17           HA       VAL  17   0.171  -7.111   3.033
  159    HB   VAL  17           HB       VAL  17  -1.300  -6.525   5.000
  160   1HG1  VAL  17           2HG      VAL  17  -1.601  -4.905   2.488
  161   2HG1  VAL  17           3HG      VAL  17  -1.873  -4.293   4.116
  162   3HG1  VAL  17           1HG      VAL  17  -0.264  -4.798   3.624
  163   1HG2  VAL  17           2HG      VAL  17  -3.354  -7.655   4.242
  164   2HG2  VAL  17           3HG      VAL  17  -3.611  -5.967   4.646
  165   3HG2  VAL  17           1HG      VAL  17  -3.488  -6.459   2.964
  166    QG1  VAL  17           QG1      VAL  17  -1.246  -4.665   3.409
  167    QG2  VAL  17           QG2      VAL  17  -3.485  -6.694   3.951
  168    QQG  VAL  17           QQG      VAL  17  -2.365  -5.680   3.680
  169    H    GLU  18           HN       GLU  18   0.996  -9.194   2.999
  170    HA   GLU  18           HA       GLU  18  -0.121 -11.635   3.525
  171   1HB   GLU  18           2HB      GLU  18   2.529 -10.431   4.259
  172   2HB   GLU  18           3HB      GLU  18   2.122 -11.991   4.940
  173   1HG   GLU  18           2HG      GLU  18   1.621 -12.794   2.578
  174   2HG   GLU  18           3HG      GLU  18   2.304 -11.275   2.000
  175    QB   GLU  18           QB       GLU  18   2.325 -11.211   4.599
  176    QG   GLU  18           QG       GLU  18   1.963 -12.034   2.289
  177    H    ASP  19           HN       ASP  19   1.099  -9.473   6.072
  178    HA   ASP  19           HA       ASP  19  -0.971 -10.495   7.894
  179   1HB   ASP  19           2HB      ASP  19   1.487 -11.696   8.093
  180   2HB   ASP  19           3HB      ASP  19   1.699 -10.403   9.208
  181    QB   ASP  19           QB       ASP  19   1.593 -11.050   8.650
  182    H    GLU  20           HN       GLU  20   0.380  -9.553  10.121
  183    HA   GLU  20           HA       GLU  20  -0.568  -6.866  10.289
  184   1HB   GLU  20           2HB      GLU  20   1.353  -8.497  11.987
  185   2HB   GLU  20           3HB      GLU  20   0.710  -6.951  12.463
  186   1HG   GLU  20           2HG      GLU  20  -1.270  -9.021  11.605
  187   2HG   GLU  20           3HG      GLU  20  -0.503  -9.241  13.169
  188    QB   GLU  20           QB       GLU  20   1.032  -7.724  12.226
  189    QG   GLU  20           QG       GLU  20  -0.887  -9.131  12.387
  190    H    ASN  21           HN       ASN  21   2.688  -8.207   9.932
  191    HA   ASN  21           HA       ASN  21   4.268  -5.910  10.051
  192   1HB   ASN  21           2HB      ASN  21   5.154  -8.228   9.581
  193   2HB   ASN  21           3HB      ASN  21   4.587  -8.071   7.919
  194   1HD2  ASN  21           2HD      ASN  21   7.203  -5.814   6.988
  195   2HD2  ASN  21           1HD      ASN  21   5.782  -6.621   6.504
  196    QB   ASN  21           QB       ASN  21   4.871  -8.149   8.750
  197    QD2  ASN  21           QD2      ASN  21   6.492  -6.218   6.746
  198    H    ASP  22           HN       ASP  22   2.629  -7.199   7.197
  199    HA   ASP  22           HA       ASP  22   3.294  -5.173   5.335
  200   1HB   ASP  22           2HB      ASP  22   0.652  -6.676   5.524
  201   2HB   ASP  22           3HB      ASP  22   1.329  -5.924   4.088
  202    QB   ASP  22           QB       ASP  22   0.990  -6.300   4.806
  203    H    ILE  23           HN       ILE  23   0.472  -5.466   7.446
  204    HA   ILE  23           HA       ILE  23  -0.782  -3.039   6.655
  205    HB   ILE  23           HB       ILE  23  -0.819  -4.425   9.368
  206   1HG1  ILE  23           2HG      ILE  23  -2.769  -4.593   7.041
  207   2HG1  ILE  23           3HG      ILE  23  -1.459  -5.733   7.251
  208   1HG2  ILE  23           1HG      ILE  23  -2.687  -2.381   8.098
  209   2HG2  ILE  23           2HG      ILE  23  -3.024  -3.242   9.594
  210   3HG2  ILE  23           3HG      ILE  23  -1.676  -2.118   9.511
  211   1HD1  ILE  23           1HD      ILE  23  -3.646  -5.244   9.298
  212   2HD1  ILE  23           2HD      ILE  23  -3.581  -6.597   8.183
  213   3HD1  ILE  23           3HD      ILE  23  -2.353  -6.430   9.428
  214    QG1  ILE  23           QG1      ILE  23  -2.114  -5.163   7.146
  215    QG2  ILE  23           QG2      ILE  23  -2.463  -2.581   9.067
  216    QD1  ILE  23           QD1      ILE  23  -3.193  -6.091   8.969
  217    H    SER  24           HN       SER  24   1.872  -3.728   8.773
  218    HA   SER  24           HA       SER  24   2.021  -1.020   9.899
  219   1HB   SER  24           2HB      SER  24   4.231  -3.137   9.854
  220   2HB   SER  24           3HB      SER  24   4.070  -1.774  10.973
  221    HG   SER  24           HG       SER  24   2.240  -3.950  10.656
  222    QB   SER  24           QB       SER  24   4.150  -2.455  10.413
  223    H    GLU  25           HN       GLU  25   4.395  -2.795   7.853
  224    HA   GLU  25           HA       GLU  25   5.868  -0.599   6.981
  225   1HB   GLU  25           2HB      GLU  25   5.299  -3.306   5.877
  226   2HB   GLU  25           3HB      GLU  25   5.910  -2.139   4.719
  227   1HG   GLU  25           2HG      GLU  25   7.771  -1.619   6.396
  228   2HG   GLU  25           3HG      GLU  25   7.212  -3.006   7.325
  229    QB   GLU  25           QB       GLU  25   5.604  -2.723   5.299
  230    QG   GLU  25           QG       GLU  25   7.492  -2.313   6.861
  231    H    LEU  26           HN       LEU  26   2.807  -1.795   5.682
  232    HA   LEU  26           HA       LEU  26   2.698  -0.078   3.418
  233   1HB   LEU  26           2HB      LEU  26   1.268  -2.043   3.629
  234   2HB   LEU  26           3HB      LEU  26   0.589  -1.448   5.134
  235    HG   LEU  26           HG       LEU  26  -0.223   0.538   3.864
  236   1HD1  LEU  26           3HD      LEU  26   0.485  -1.206   1.470
  237   2HD1  LEU  26           1HD      LEU  26  -0.452   0.283   1.387
  238   3HD1  LEU  26           2HD      LEU  26   1.236   0.335   1.871
  239   1HD2  LEU  26           2HD      LEU  26  -1.261  -2.194   3.043
  240   2HD2  LEU  26           3HD      LEU  26  -1.712  -1.316   4.502
  241   3HD2  LEU  26           1HD      LEU  26  -2.178  -0.697   2.919
  242    QB   LEU  26           QB       LEU  26   0.929  -1.746   4.381
  243    QD1  LEU  26           QD1      LEU  26   0.424  -0.196   1.576
  244    QD2  LEU  26           QD2      LEU  26  -1.717  -1.402   3.488
  245    QQD  LEU  26           QQD      LEU  26  -0.647  -0.799   2.532
  246    H    HIS  27           HN       HIS  27   1.276   0.148   6.696
  247    HA   HIS  27           HA       HIS  27   0.216   2.758   6.511
  248   1HB   HIS  27           2HB      HIS  27   1.263   1.065   8.716
  249   2HB   HIS  27           3HB      HIS  27   1.155   2.762   9.064
  250    HD1  HIS  27           HD1      HIS  27  -0.765   2.630  10.600
  251    HD2  HIS  27           HD2      HIS  27  -1.682   0.832   7.012
  252    HE1  HIS  27           HE1      HIS  27  -3.231   2.127  10.657
  253    QB   HIS  27           QB       HIS  27   1.209   1.914   8.890
  254    H    GLU  28           HN       GLU  28   3.496   1.696   7.106
  255    HA   GLU  28           HA       GLU  28   4.712   4.094   7.865
  256   1HB   GLU  28           2HB      GLU  28   5.467   1.479   7.063
  257   2HB   GLU  28           3HB      GLU  28   6.404   2.572   6.083
  258   1HG   GLU  28           2HG      GLU  28   7.627   2.132   8.146
  259   2HG   GLU  28           3HG      GLU  28   7.032   3.790   8.229
  260    QB   GLU  28           QB       GLU  28   5.936   2.026   6.574
  261    QG   GLU  28           QG       GLU  28   7.330   2.960   8.187
  262    H    LEU  29           HN       LEU  29   3.864   2.957   4.616
  263    HA   LEU  29           HA       LEU  29   5.341   4.946   3.181
  264   1HB   LEU  29           2HB      LEU  29   4.340   2.947   2.109
  265   2HB   LEU  29           3HB      LEU  29   2.733   3.587   2.416
  266    HG   LEU  29           HG       LEU  29   3.130   5.478   0.919
  267   1HD1  LEU  29           3HD      LEU  29   5.935   4.335   0.584
  268   2HD1  LEU  29           1HD      LEU  29   5.261   5.659  -0.360
  269   3HD1  LEU  29           2HD      LEU  29   5.534   5.864   1.364
  270   1HD2  LEU  29           2HD      LEU  29   4.069   2.851  -0.290
  271   2HD2  LEU  29           3HD      LEU  29   2.394   3.354  -0.092
  272   3HD2  LEU  29           1HD      LEU  29   3.449   4.223  -1.205
  273    QB   LEU  29           QB       LEU  29   3.537   3.267   2.263
  274    QD1  LEU  29           QD1      LEU  29   5.577   5.286   0.529
  275    QD2  LEU  29           QD2      LEU  29   3.304   3.476  -0.529
  276    QQD  LEU  29           QQD      LEU  29   4.440   4.382   0.000
  277    H    ALA  30           HN       ALA  30   2.415   5.133   5.011
  278    HA   ALA  30           HA       ALA  30   1.580   7.694   3.784
  279   1HB   ALA  30           1HB      ALA  30   0.520   6.227   6.237
  280   2HB   ALA  30           2HB      ALA  30  -0.222   7.643   5.496
  281   3HB   ALA  30           3HB      ALA  30  -0.151   6.121   4.612
  282    QB   ALA  30           QB       ALA  30   0.049   6.664   5.449
  283    H    SER  31           HN       SER  31   4.108   6.991   5.465
  284    HA   SER  31           HA       SER  31   3.963   9.202   7.453
  285   1HB   SER  31           2HB      SER  31   4.861   6.827   8.001
  286   2HB   SER  31           3HB      SER  31   6.271   7.263   7.020
  287    HG   SER  31           HG       SER  31   5.740   7.983   9.516
  288    QB   SER  31           QB       SER  31   5.566   7.045   7.511
  289    H    THR  32           HN       THR  32   5.087   8.410   4.335
  290    HA   THR  32           HA       THR  32   6.705  10.933   4.230
  291    HB   THR  32           HB       THR  32   8.141   9.658   2.496
  292    HG1  THR  32          1HG       THR  32   7.329   7.296   3.656
  293   1HG2  THR  32           2HG      THR  32   8.027   8.446   5.307
  294   2HG2  THR  32           3HG      THR  32   9.390   8.337   4.195
  295   3HG2  THR  32           1HG      THR  32   8.937   9.891   4.887
  296    QG2  THR  32           QG2      THR  32   8.784   8.891   4.796
  297    NH1  ARG  33           NH2      ARG  33   1.544   9.921  -4.374
  298    NH2  ARG  33           NH1      ARG  33   2.685   8.302  -5.524
  299    H    ARG  33           HN       ARG  33   5.256   8.459   2.130
  300    HA   ARG  33           HA       ARG  33   4.459  10.665   0.261
  301   1HB   ARG  33           2HB      ARG  33   5.888   8.535  -0.451
  302   2HB   ARG  33           3HB      ARG  33   4.310   7.759  -0.506
  303   1HG   ARG  33           2HG      ARG  33   3.726  10.066  -1.835
  304   2HG   ARG  33           3HG      ARG  33   5.429   9.923  -2.238
  305   1HD   ARG  33           2HD      ARG  33   4.767   8.529  -3.902
  306   2HD   ARG  33           3HD      ARG  33   4.472   7.332  -2.645
  307    HE   ARG  33           HE       ARG  33   2.095   8.094  -2.581
  308   1HH1  ARG  33           2HH      ARG  33   1.320  10.349  -3.493
  309   2HH1  ARG  33           1HH      ARG  33   1.197  10.330  -5.224
  310   1HH2  ARG  33           2HH      ARG  33   3.341   7.532  -5.513
  311   2HH2  ARG  33           1HH      ARG  33   2.339   8.649  -6.409
  312    QB   ARG  33           QB       ARG  33   5.099   8.146  -0.478
  313    QG   ARG  33           QG       ARG  33   4.577   9.995  -2.036
  314    QD   ARG  33           QD       ARG  33   4.619   7.930  -3.274
  315    QH1  ARG  33           QH2      ARG  33   1.259  10.340  -4.359
  316    QH2  ARG  33           QH1      ARG  33   2.840   8.090  -5.961
  317    H    GLN  34           HN       GLN  34   2.752  11.021   1.925
  318    HA   GLN  34           HA       GLN  34   0.666   9.283   2.554
  319   1HB   GLN  34           2HB      GLN  34   0.610  11.443   3.559
  320   2HB   GLN  34           3HB      GLN  34   0.735  12.259   2.008
  321   1HG   GLN  34           2HG      GLN  34  -1.541  12.489   2.876
  322   2HG   GLN  34           3HG      GLN  34  -1.566  11.495   1.428
  323   1HE2  GLN  34           2HE      GLN  34  -3.390   9.956   4.482
  324   2HE2  GLN  34           1HE      GLN  34  -3.304  11.594   4.039
  325    QB   GLN  34           QB       GLN  34   0.673  11.852   2.784
  326    QG   GLN  34           QG       GLN  34  -1.553  11.992   2.152
  327    QE2  GLN  34           QE2      GLN  34  -3.347  10.775   4.260
  328    H    ILE  35           HN       ILE  35  -1.175   8.524   1.509
  329    HA   ILE  35           HA       ILE  35  -1.700   9.455  -1.262
  330    HB   ILE  35           HB       ILE  35  -1.898   6.497  -0.985
  331   1HG1  ILE  35           2HG      ILE  35   0.823   7.820  -1.229
  332   2HG1  ILE  35           3HG      ILE  35   0.272   6.950   0.195
  333   1HG2  ILE  35           1HG      ILE  35  -2.340   7.770  -3.102
  334   2HG2  ILE  35           2HG      ILE  35  -0.678   8.344  -3.086
  335   3HG2  ILE  35           3HG      ILE  35  -1.021   6.635  -3.301
  336   1HD1  ILE  35           3HD      ILE  35  -0.032   4.895  -1.185
  337   2HD1  ILE  35           1HD      ILE  35   0.586   5.760  -2.590
  338   3HD1  ILE  35           2HD      ILE  35   1.631   5.464  -1.211
  339    QG1  ILE  35           QG1      ILE  35   0.548   7.385  -0.517
  340    QG2  ILE  35           QG2      ILE  35  -1.347   7.583  -3.163
  341    QD1  ILE  35           QD1      ILE  35   0.728   5.373  -1.662
  342    H    ASP  36           HN       ASP  36  -3.679   7.914  -2.015
  343    HA   ASP  36           HA       ASP  36  -5.694   8.078   0.175
  344   1HB   ASP  36           2HB      ASP  36  -7.309   8.445  -1.828
  345   2HB   ASP  36           3HB      ASP  36  -6.254   9.777  -1.394
  346    QB   ASP  36           QB       ASP  36  -6.781   9.112  -1.611
  347    H    PHE  37           HN       PHE  37  -6.918   6.274   0.560
  348    HA   PHE  37           HA       PHE  37  -6.386   3.923  -1.217
  349   1HB   PHE  37           2HB      PHE  37  -7.228   4.100   1.701
  350   2HB   PHE  37           3HB      PHE  37  -7.313   2.601   0.774
  351    HD1  PHE  37          1HD       PHE  37  -4.902   5.365   1.582
  352    HD2  PHE  37          2HD       PHE  37  -5.377   1.233   0.656
  353    HE1  PHE  37          1HE       PHE  37  -2.493   5.018   1.874
  354    HE2  PHE  37          2HE       PHE  37  -2.965   0.885   0.984
  355    HZ   PHE  37           HZ       PHE  37  -1.515   2.779   1.600
  356    QB   PHE  37           QB       PHE  37  -7.271   3.351   1.238
  357    QR   PHE  37           QR       PHE  37  -3.934   3.125   1.274
  358    CH2  TRP  38           CH2      TRP  38  -9.474   6.767  -7.997
  359    H    TRP  38           HN       TRP  38  -8.150   2.804  -2.060
  360    HA   TRP  38           HA       TRP  38 -10.730   4.317  -1.883
  361   1HB   TRP  38           2HB      TRP  38  -9.525   2.706  -4.134
  362   2HB   TRP  38           3HB      TRP  38 -11.137   3.358  -4.169
  363    HD1  TRP  38           HD1      TRP  38  -8.660   5.778  -2.638
  364    HE1  TRP  38           HE1      TRP  38  -7.982   7.539  -4.235
  365    HE3  TRP  38           HE3      TRP  38 -10.768   3.877  -6.756
  366    HZ2  TRP  38           HZ2      TRP  38  -8.377   8.217  -6.869
  367    HZ3  TRP  38           HZ3      TRP  38 -10.617   5.183  -8.859
  368    HH2  TRP  38           HH2      TRP  38  -9.404   7.317  -8.926
  369    QB   TRP  38           QB       TRP  38 -10.331   3.033  -4.152
  370    H    LYS  39           HN       LYS  39  -9.318   1.062  -2.094
  371    HA   LYS  39           HA       LYS  39 -11.868   0.073  -0.880
  372   1HB   LYS  39           2HB      LYS  39 -10.134  -1.422  -2.872
  373   2HB   LYS  39           3HB      LYS  39 -11.522  -2.094  -2.050
  374   1HG   LYS  39           2HG      LYS  39 -12.504  -1.395  -4.052
  375   2HG   LYS  39           3HG      LYS  39 -12.787   0.006  -3.031
  376   1HD   LYS  39           2HD      LYS  39 -11.791   1.184  -4.716
  377   2HD   LYS  39           3HD      LYS  39 -10.288   0.583  -4.032
  378   1HE   LYS  39           2HE      LYS  39 -10.263   0.087  -6.401
  379   2HE   LYS  39           3HE      LYS  39 -10.461  -1.429  -5.526
  380   1HZ   LYS  39           1HZ      LYS  39 -13.008  -0.366  -5.951
  381   2HZ   LYS  39           2HZ      LYS  39 -12.177  -0.272  -7.434
  382   3HZ   LYS  39           3HZ      LYS  39 -12.325  -1.765  -6.641
  383    QB   LYS  39           QB       LYS  39 -10.829  -1.758  -2.462
  384    QG   LYS  39           QG       LYS  39 -12.645  -0.694  -3.541
  385    QD   LYS  39           QD       LYS  39 -11.040   0.884  -4.374
  386    QE   LYS  39           QE       LYS  39 -10.362  -0.671  -5.964
  387    QZ   LYS  39           QZ       LYS  39 -12.503  -0.801  -6.676
  388    HA   PRO  40           HA       PRO  40 -12.500  -1.940  -0.063
  389   1HB   PRO  40           2HB      PRO  40 -13.101  -2.557   2.552
  390   2HB   PRO  40           3HB      PRO  40 -12.294  -3.688   1.455
  391   1HG   PRO  40           2HG      PRO  40 -11.115  -2.046   3.678
  392   2HG   PRO  40           3HG      PRO  40 -10.637  -3.639   3.088
  393   1HD   PRO  40           2HD      PRO  40  -9.341  -1.221   2.447
  394   2HD   PRO  40           3HD      PRO  40  -9.166  -2.740   1.544
  395    QB   PRO  40           QB       PRO  40 -12.697  -3.123   2.003
  396    QG   PRO  40           QG       PRO  40 -10.876  -2.843   3.383
  397    QD   PRO  40           QD       PRO  40  -9.253  -1.980   1.996
  398    H    ASP  41           HN       ASP  41 -11.854  -0.482   3.078
  399    HA   ASP  41           HA       ASP  41 -13.656   1.806   2.383
  400   1HB   ASP  41           2HB      ASP  41 -13.710   1.736   5.129
  401   2HB   ASP  41           3HB      ASP  41 -14.906   0.941   4.120
  402    QB   ASP  41           QB       ASP  41 -14.308   1.339   4.624
  403    H    SER  42           HN       SER  42 -11.314   0.955   4.865
  404    HA   SER  42           HA       SER  42  -9.673   3.342   4.138
  405   1HB   SER  42           2HB      SER  42 -10.896   3.884   6.215
  406   2HB   SER  42           3HB      SER  42 -10.389   2.348   6.942
  407    HG   SER  42           HG       SER  42  -8.698   3.475   7.562
  408    QB   SER  42           QB       SER  42 -10.642   3.116   6.578
  409    H    VAL  43           HN       VAL  43  -7.554   2.971   5.570
  410    HA   VAL  43           HA       VAL  43  -6.611   0.176   5.062
  411    HB   VAL  43           HB       VAL  43  -5.570   1.714   3.484
  412   1HG1  VAL  43           1HG      VAL  43  -5.926   3.819   4.740
  413   2HG1  VAL  43           2HG      VAL  43  -4.699   3.337   5.907
  414   3HG1  VAL  43           3HG      VAL  43  -4.251   3.658   4.237
  415   1HG2  VAL  43           2HG      VAL  43  -4.125  -0.059   4.440
  416   2HG2  VAL  43           3HG      VAL  43  -3.188   1.386   4.071
  417   3HG2  VAL  43           1HG      VAL  43  -3.635   1.028   5.735
  418    QG1  VAL  43           QG1      VAL  43  -4.959   3.605   4.962
  419    QG2  VAL  43           QG2      VAL  43  -3.649   0.785   4.749
  420    QQG  VAL  43           QQG      VAL  43  -4.304   2.195   4.855
  421    H    THR  44           HN       THR  44  -6.584   2.993   7.027
  422    HA   THR  44           HA       THR  44  -4.900   2.848   9.074
  423    HB   THR  44           HB       THR  44  -6.847   3.508  10.608
  424    HG1  THR  44          1HG       THR  44  -8.758   2.875   9.937
  425   1HG2  THR  44           3HG      THR  44  -6.997   4.689   7.786
  426   2HG2  THR  44           1HG      THR  44  -7.565   5.455   9.263
  427   3HG2  THR  44           2HG      THR  44  -5.844   5.205   9.009
  428    QG2  THR  44           QG2      THR  44  -6.802   5.116   8.686
  429    H    GLN  45           HN       GLN  45  -7.867   1.013   9.275
  430    HA   GLN  45           HA       GLN  45  -6.562  -0.922  11.139
  431   1HB   GLN  45           2HB      GLN  45  -8.922  -1.370  11.918
  432   2HB   GLN  45           3HB      GLN  45  -8.385   0.276  12.213
  433   1HG   GLN  45           2HG      GLN  45  -9.838   1.180  10.656
  434   2HG   GLN  45           3HG      GLN  45  -9.745  -0.215   9.590
  435   1HE2  GLN  45           2HE      GLN  45 -12.852   0.053  12.076
  436   2HE2  GLN  45           1HE      GLN  45 -11.815   1.356  11.740
  437    QB   GLN  45           QB       GLN  45  -8.654  -0.547  12.065
  438    QG   GLN  45           QG       GLN  45  -9.791   0.483  10.123
  439    QE2  GLN  45           QE2      GLN  45 -12.333   0.704  11.909
  440    H    ILE  46           HN       ILE  46  -6.371  -1.187   8.273
  441    HA   ILE  46           HA       ILE  46  -8.296  -3.038   7.266
  442    HB   ILE  46           HB       ILE  46  -6.455  -1.744   5.991
  443   1HG1  ILE  46           2HG      ILE  46  -6.144  -3.625   4.316
  444   2HG1  ILE  46           3HG      ILE  46  -6.989  -4.677   5.431
  445   1HG2  ILE  46           2HG      ILE  46  -4.578  -2.484   7.392
  446   2HG2  ILE  46           3HG      ILE  46  -4.831  -4.145   6.874
  447   3HG2  ILE  46           1HG      ILE  46  -4.318  -2.930   5.709
  448   1HD1  ILE  46           1HD      ILE  46  -8.100  -2.094   4.253
  449   2HD1  ILE  46           2HD      ILE  46  -8.533  -3.723   3.740
  450   3HD1  ILE  46           3HD      ILE  46  -8.967  -3.162   5.351
  451    QG1  ILE  46           QG1      ILE  46  -6.567  -4.152   4.874
  452    QG2  ILE  46           QG2      ILE  46  -4.576  -3.186   6.658
  453    QD1  ILE  46           QD1      ILE  46  -8.534  -2.993   4.448
  454    H    LYS  47           HN       LYS  47  -7.872  -5.463   7.023
  455    HA   LYS  47           HA       LYS  47  -6.533  -6.367   9.534
  456   1HB   LYS  47           2HB      LYS  47  -8.873  -7.530   7.996
  457   2HB   LYS  47           3HB      LYS  47  -8.081  -8.384   9.306
  458   1HG   LYS  47           2HG      LYS  47  -9.786  -7.301  10.484
  459   2HG   LYS  47           3HG      LYS  47  -8.489  -6.129  10.646
  460   1HD   LYS  47           2HD      LYS  47  -9.400  -4.817   8.766
  461   2HD   LYS  47           3HD      LYS  47 -10.644  -6.023   8.497
  462   1HE   LYS  47           2HE      LYS  47 -11.631  -4.193   9.751
  463   2HE   LYS  47           3HE      LYS  47 -11.505  -5.580  10.825
  464   1HZ   LYS  47           3HZ      LYS  47  -9.129  -4.080  10.995
  465   2HZ   LYS  47           1HZ      LYS  47 -10.426  -3.013  11.142
  466   3HZ   LYS  47           2HZ      LYS  47 -10.306  -4.334  12.212
  467    QB   LYS  47           QB       LYS  47  -8.477  -7.957   8.651
  468    QG   LYS  47           QG       LYS  47  -9.137  -6.715  10.565
  469    QD   LYS  47           QD       LYS  47 -10.022  -5.420   8.631
  470    QE   LYS  47           QE       LYS  47 -11.568  -4.887  10.289
  471    QZ   LYS  47           QZ       LYS  47  -9.954  -3.809  11.450
  472    HA   PRO  48           HA       PRO  48  -3.422  -8.550   7.624
  473   1HB   PRO  48           2HB      PRO  48  -4.024 -11.047   9.118
  474   2HB   PRO  48           3HB      PRO  48  -2.590 -10.018   9.188
  475   1HG   PRO  48           2HG      PRO  48  -4.426 -10.093  11.210
  476   2HG   PRO  48           3HG      PRO  48  -3.496  -8.635  10.833
  477   1HD   PRO  48           2HD      PRO  48  -6.362  -9.265  10.192
  478   2HD   PRO  48           3HD      PRO  48  -5.602  -7.703  10.551
  479    QB   PRO  48           QB       PRO  48  -3.307 -10.533   9.153
  480    QG   PRO  48           QG       PRO  48  -3.961  -9.363  11.021
  481    QD   PRO  48           QD       PRO  48  -5.982  -8.484  10.372
  482    H    HIS  49           HN       HIS  49  -2.896  -9.977   6.024
  483    HA   HIS  49           HA       HIS  49  -3.230 -11.395   4.209
  484   1HB   HIS  49           2HB      HIS  49  -5.677 -12.656   5.314
  485   2HB   HIS  49           3HB      HIS  49  -4.274 -13.399   4.607
  486    HD1  HIS  49           HD1      HIS  49  -2.105 -12.957   6.380
  487    HD2  HIS  49           HD2      HIS  49  -5.856 -13.381   7.994
  488    HE1  HIS  49           HE1      HIS  49  -1.773 -13.654   8.779
  489    QB   HIS  49           QB       HIS  49  -4.975 -13.028   4.960
  490    H    SER  50           HN       SER  50  -4.689  -8.801   4.433
  491    HA   SER  50           HA       SER  50  -7.037  -9.509   2.713
  492   1HB   SER  50           2HB      SER  50  -8.076  -7.421   3.388
  493   2HB   SER  50           3HB      SER  50  -7.451  -8.164   4.868
  494    HG   SER  50           HG       SER  50  -5.928  -6.706   4.990
  495    QB   SER  50           QB       SER  50  -7.763  -7.793   4.128
  496    H    THR  51           HN       THR  51  -7.518  -7.654   1.134
  497    HA   THR  51           HA       THR  51  -4.959  -6.863  -0.170
  498    HB   THR  51           HB       THR  51  -6.266  -7.029  -2.341
  499    HG1  THR  51          1HG       THR  51  -8.195  -7.048  -0.583
  500   1HG2  THR  51           2HG      THR  51  -6.397  -9.561  -0.637
  501   2HG2  THR  51           3HG      THR  51  -6.449  -9.500  -2.396
  502   3HG2  THR  51           1HG      THR  51  -4.980  -9.053  -1.545
  503    QG2  THR  51           QG2      THR  51  -5.941  -9.371  -1.526
  504    H    VAL  52           HN       VAL  52  -4.682  -4.670  -0.036
  505    HA   VAL  52           HA       VAL  52  -7.136  -2.981   0.191
  506    HB   VAL  52           HB       VAL  52  -4.474  -1.683   0.443
  507   1HG1  VAL  52           1HG      VAL  52  -6.648  -0.568   0.934
  508   2HG1  VAL  52           2HG      VAL  52  -6.938  -1.731   2.223
  509   3HG1  VAL  52           3HG      VAL  52  -5.597  -0.595   2.348
  510   1HG2  VAL  52           2HG      VAL  52  -5.383  -3.748   2.489
  511   2HG2  VAL  52           3HG      VAL  52  -3.892  -3.792   1.558
  512   3HG2  VAL  52           1HG      VAL  52  -4.126  -2.549   2.782
  513    QG1  VAL  52           QG1      VAL  52  -6.395  -0.965   1.835
  514    QG2  VAL  52           QG2      VAL  52  -4.467  -3.363   2.277
  515    QQG  VAL  52           QQG      VAL  52  -5.430  -2.164   2.056
  516    H    ASP  53           HN       ASP  53  -7.359  -1.135  -1.239
  517    HA   ASP  53           HA       ASP  53  -5.679  -1.304  -3.718
  518   1HB   ASP  53           2HB      ASP  53  -8.617  -0.618  -3.769
  519   2HB   ASP  53           3HB      ASP  53  -7.591  -1.075  -5.110
  520    QB   ASP  53           QB       ASP  53  -8.104  -0.846  -4.440
  521    H    PHE  54           HN       PHE  54  -4.637   0.543  -4.017
  522    HA   PHE  54           HA       PHE  54  -6.013   3.130  -3.407
  523   1HB   PHE  54           2HB      PHE  54  -3.918   4.047  -2.559
  524   2HB   PHE  54           3HB      PHE  54  -4.235   2.559  -1.685
  525    HD1  PHE  54          2HD       PHE  54  -2.954   0.467  -2.289
  526    HD2  PHE  54          1HD       PHE  54  -1.991   4.248  -4.010
  527    HE1  PHE  54          2HE       PHE  54  -0.779  -0.413  -3.023
  528    HE2  PHE  54          1HE       PHE  54   0.199   3.377  -4.695
  529    HZ   PHE  54           HZ       PHE  54   0.804   1.045  -4.216
  530    QB   PHE  54           QB       PHE  54  -4.077   3.303  -2.122
  531    QR   PHE  54           QR       PHE  54  -1.381   1.920  -3.505
  532    NH1  ARG  55           NH1      ARG  55  -4.229   7.287 -11.864
  533    NH2  ARG  55           NH2      ARG  55  -6.315   7.642 -12.695
  534    H    ARG  55           HN       ARG  55  -5.118   4.952  -4.800
  535    HA   ARG  55           HA       ARG  55  -3.900   3.827  -7.306
  536   1HB   ARG  55           2HB      ARG  55  -6.377   4.278  -7.585
  537   2HB   ARG  55           3HB      ARG  55  -6.038   5.986  -7.308
  538   1HG   ARG  55           2HG      ARG  55  -4.292   5.778  -9.209
  539   2HG   ARG  55           3HG      ARG  55  -5.015   4.221  -9.563
  540   1HD   ARG  55           2HD      ARG  55  -7.235   5.382  -9.852
  541   2HD   ARG  55           3HD      ARG  55  -6.401   6.924  -9.644
  542    HE   ARG  55           HE       ARG  55  -5.886   5.006 -11.901
  543   1HH1  ARG  55           2HH      ARG  55  -3.605   6.710 -11.330
  544   2HH1  ARG  55           1HH      ARG  55  -3.885   8.125 -12.299
  545   1HH2  ARG  55           2HH      ARG  55  -7.262   7.351 -12.768
  546   2HH2  ARG  55           1HH      ARG  55  -6.010   8.477 -13.188
  547    QB   ARG  55           QB       ARG  55  -6.208   5.131  -7.447
  548    QG   ARG  55           QG       ARG  55  -4.654   5.000  -9.386
  549    QD   ARG  55           QD       ARG  55  -6.817   6.153  -9.748
  550    QH1  ARG  55           QH1      ARG  55  -3.744   7.417 -11.815
  551    QH2  ARG  55           QH2      ARG  55  -6.636   7.914 -12.978
  552    H    VAL  56           HN       VAL  56  -2.424   5.031  -8.328
  553    HA   VAL  56           HA       VAL  56  -1.580   7.575  -7.052
  554    HB   VAL  56           HB       VAL  56   0.615   6.977  -8.084
  555   1HG1  VAL  56           2HG      VAL  56  -0.601   4.789  -6.368
  556   2HG1  VAL  56           3HG      VAL  56   1.127   5.070  -6.571
  557   3HG1  VAL  56           1HG      VAL  56   0.126   6.275  -5.760
  558   1HG2  VAL  56           3HG      VAL  56  -0.261   5.611  -9.975
  559   2HG2  VAL  56           1HG      VAL  56   0.960   4.760  -9.048
  560   3HG2  VAL  56           2HG      VAL  56  -0.739   4.364  -8.827
  561    QG1  VAL  56           QG1      VAL  56   0.217   5.378  -6.233
  562    QG2  VAL  56           QG2      VAL  56  -0.014   4.912  -9.284
  563    QQG  VAL  56           QQG      VAL  56   0.102   5.145  -7.758
  564    H    LYS  57           HN       LYS  57  -0.900   9.291  -8.608
  565    HA   LYS  57           HA       LYS  57  -2.169   8.934 -11.310
  566   1HB   LYS  57           2HB      LYS  57  -2.119  11.525  -9.735
  567   2HB   LYS  57           3HB      LYS  57  -2.994  11.201 -11.222
  568   1HG   LYS  57           2HG      LYS  57  -4.714  10.938  -9.690
  569   2HG   LYS  57           3HG      LYS  57  -4.120   9.282  -9.750
  570   1HD   LYS  57           2HD      LYS  57  -2.580   9.908  -7.798
  571   2HD   LYS  57           3HD      LYS  57  -3.469  11.410  -7.685
  572   1HE   LYS  57           2HE      LYS  57  -5.512  10.253  -7.155
  573   2HE   LYS  57           3HE      LYS  57  -4.798   8.689  -7.552
  574   1HZ   LYS  57           2HZ      LYS  57  -3.179   9.980  -5.657
  575   2HZ   LYS  57           3HZ      LYS  57  -4.774   9.995  -5.079
  576   3HZ   LYS  57           1HZ      LYS  57  -4.042   8.524  -5.478
  577    QB   LYS  57           QB       LYS  57  -2.556  11.364 -10.478
  578    QG   LYS  57           QG       LYS  57  -4.417  10.110  -9.720
  579    QD   LYS  57           QD       LYS  57  -3.025  10.659  -7.741
  580    QE   LYS  57           QE       LYS  57  -5.155   9.471  -7.353
  581    QZ   LYS  57           QZ       LYS  57  -3.999   9.500  -5.405
  582    H    ALA  58           HN       ALA  58   0.431   8.383 -10.839
  583    HA   ALA  58           HA       ALA  58   2.518   8.754 -11.820
  584   1HB   ALA  58           3HB      ALA  58   1.333   9.500 -13.821
  585   2HB   ALA  58           1HB      ALA  58   1.183  11.119 -13.152
  586   3HB   ALA  58           2HB      ALA  58   2.771  10.481 -13.550
  587    QB   ALA  58           QB       ALA  58   1.762  10.366 -13.508
  588    H    GLU  59           HN       GLU  59   1.073  11.024  -9.730
  589    HA   GLU  59           HA       GLU  59   2.969  13.104  -9.701
  590   1HB   GLU  59           2HB      GLU  59   2.263  13.613  -7.461
  591   2HB   GLU  59           3HB      GLU  59   0.869  13.022  -8.330
  592   1HG   GLU  59           2HG      GLU  59   2.527  11.316  -6.434
  593   2HG   GLU  59           3HG      GLU  59   1.053  12.152  -5.996
  594    QB   GLU  59           QB       GLU  59   1.566  13.317  -7.895
  595    QG   GLU  59           QG       GLU  59   1.790  11.733  -6.215
  596    H    ASP  60           HN       ASP  60   3.125  10.159  -7.766
  597    HA   ASP  60           HA       ASP  60   6.099  10.247  -7.782
  598   1HB   ASP  60           2HB      ASP  60   4.340  10.368  -5.325
  599   2HB   ASP  60           3HB      ASP  60   5.867   9.501  -5.243
  600    QB   ASP  60           QB       ASP  60   5.104   9.934  -5.283
  601    H    ILE  61           HN       ILE  61   5.028   8.402  -9.351
  602    HA   ILE  61           HA       ILE  61   4.126   6.107  -7.770
  603    HB   ILE  61           HB       ILE  61   5.015   5.978 -10.671
  604   1HG1  ILE  61           2HG      ILE  61   2.283   6.659  -9.492
  605   2HG1  ILE  61           3HG      ILE  61   3.317   7.771 -10.368
  606   1HG2  ILE  61           1HG      ILE  61   4.685   3.868  -9.350
  607   2HG2  ILE  61           2HG      ILE  61   3.048   4.372  -8.980
  608   3HG2  ILE  61           3HG      ILE  61   3.507   4.020 -10.642
  609   1HD1  ILE  61           2HD      ILE  61   3.167   6.281 -12.377
  610   2HD1  ILE  61           3HD      ILE  61   2.084   5.223 -11.492
  611   3HD1  ILE  61           1HD      ILE  61   1.586   6.860 -11.878
  612    QG1  ILE  61           QG1      ILE  61   2.800   7.215  -9.930
  613    QG2  ILE  61           QG2      ILE  61   3.747   4.087  -9.658
  614    QD1  ILE  61           QD1      ILE  61   2.280   6.122 -11.916
  615    H    LEU  62           HN       LEU  62   7.010   6.733  -9.757
  616    HA   LEU  62           HA       LEU  62   8.577   4.547  -9.414
  617   1HB   LEU  62           2HB      LEU  62   9.615   7.307  -8.701
  618   2HB   LEU  62           3HB      LEU  62  10.581   5.946  -9.241
  619    HG   LEU  62           HG       LEU  62   8.418   7.322 -10.862
  620   1HD1  LEU  62           2HD      LEU  62  10.459   8.682 -10.597
  621   2HD1  LEU  62           3HD      LEU  62  11.428   7.335 -11.190
  622   3HD1  LEU  62           1HD      LEU  62  10.265   8.123 -12.255
  623   1HD2  LEU  62           1HD      LEU  62  10.340   5.091 -11.608
  624   2HD2  LEU  62           2HD      LEU  62   8.593   4.934 -11.452
  625   3HD2  LEU  62           3HD      LEU  62   9.275   5.925 -12.734
  626    QB   LEU  62           QB       LEU  62  10.098   6.626  -8.971
  627    QD1  LEU  62           QD1      LEU  62  10.717   8.046 -11.347
  628    QD2  LEU  62           QD2      LEU  62   9.403   5.316 -11.931
  629    QQD  LEU  62           QQD      LEU  62  10.060   6.682 -11.639
  630    H    ALA  63           HN       ALA  63   8.366   6.976  -6.798
  631    HA   ALA  63           HA       ALA  63   9.882   5.534  -4.883
  632   1HB   ALA  63           3HB      ALA  63   9.143   7.878  -4.548
  633   2HB   ALA  63           1HB      ALA  63   7.475   7.336  -4.380
  634   3HB   ALA  63           2HB      ALA  63   8.678   6.877  -3.179
  635    QB   ALA  63           QB       ALA  63   8.432   7.363  -4.036
  636    H    VAL  64           HN       VAL  64   6.379   5.484  -5.472
  637    HA   VAL  64           HA       VAL  64   5.700   3.602  -3.421
  638    HB   VAL  64           HB       VAL  64   4.416   4.017  -6.162
  639   1HG1  VAL  64           1HG      VAL  64   3.841   1.819  -5.129
  640   2HG1  VAL  64           2HG      VAL  64   3.310   2.658  -3.673
  641   3HG1  VAL  64           3HG      VAL  64   2.454   2.897  -5.191
  642   1HG2  VAL  64           2HG      VAL  64   4.406   6.041  -4.710
  643   2HG2  VAL  64           3HG      VAL  64   2.779   5.396  -4.920
  644   3HG2  VAL  64           1HG      VAL  64   3.656   5.107  -3.420
  645    QG1  VAL  64           QG1      VAL  64   3.202   2.458  -4.664
  646    QG2  VAL  64           QG2      VAL  64   3.614   5.515  -4.350
  647    QQG  VAL  64           QQG      VAL  64   3.407   3.986  -4.507
  648    H    GLU  65           HN       GLU  65   6.686   3.238  -6.784
  649    HA   GLU  65           HA       GLU  65   6.567   0.418  -7.010
  650   1HB   GLU  65           2HB      GLU  65   7.643   2.568  -8.530
  651   2HB   GLU  65           3HB      GLU  65   8.987   1.472  -8.265
  652   1HG   GLU  65           2HG      GLU  65   7.978   0.684 -10.259
  653   2HG   GLU  65           3HG      GLU  65   7.354  -0.400  -9.020
  654    QB   GLU  65           QB       GLU  65   8.316   2.020  -8.397
  655    QG   GLU  65           QG       GLU  65   7.665   0.142  -9.639
  656    H    ASP  66           HN       ASP  66   9.421   2.404  -6.213
  657    HA   ASP  66           HA       ASP  66  11.234   0.430  -5.444
  658   1HB   ASP  66           2HB      ASP  66  11.789   2.850  -5.507
  659   2HB   ASP  66           3HB      ASP  66  10.795   3.122  -4.084
  660    QB   ASP  66           QB       ASP  66  11.292   2.986  -4.794
  661    H    PHE  67           HN       PHE  67   9.198   2.211  -3.179
  662    HA   PHE  67           HA       PHE  67   9.619   0.707  -0.855
  663   1HB   PHE  67           2HB      PHE  67   8.235   2.861  -1.182
  664   2HB   PHE  67           3HB      PHE  67   6.901   1.808  -1.629
  665    HD1  PHE  67          2HD       PHE  67   9.271   2.619   1.118
  666    HD2  PHE  67          1HD       PHE  67   5.719   0.528   0.035
  667    HE1  PHE  67          2HE       PHE  67   8.803   2.171   3.493
  668    HE2  PHE  67          1HE       PHE  67   5.249   0.107   2.411
  669    HZ   PHE  67           HZ       PHE  67   6.800   0.899   4.136
  670    QB   PHE  67           QB       PHE  67   7.567   2.334  -1.406
  671    QR   PHE  67           QR       PHE  67   7.261   1.357   1.764
  672    H    LEU  68           HN       LEU  68   7.296   0.067  -3.456
  673    HA   LEU  68           HA       LEU  68   6.359  -2.361  -2.051
  674   1HB   LEU  68           2HB      LEU  68   5.608  -1.227  -4.769
  675   2HB   LEU  68           3HB      LEU  68   4.851  -2.628  -4.021
  676    HG   LEU  68           HG       LEU  68   4.829   0.227  -2.952
  677   1HD1  LEU  68           2HD      LEU  68   3.265  -0.261  -4.833
  678   2HD1  LEU  68           3HD      LEU  68   2.584  -1.592  -3.905
  679   3HD1  LEU  68           1HD      LEU  68   2.409   0.063  -3.330
  680   1HD2  LEU  68           3HD      LEU  68   3.638  -2.312  -1.768
  681   2HD2  LEU  68           1HD      LEU  68   4.971  -1.386  -1.086
  682   3HD2  LEU  68           2HD      LEU  68   3.361  -0.682  -1.166
  683    QB   LEU  68           QB       LEU  68   5.229  -1.928  -4.395
  684    QD1  LEU  68           QD1      LEU  68   2.752  -0.597  -4.023
  685    QD2  LEU  68           QD2      LEU  68   3.990  -1.460  -1.341
  686    QQD  LEU  68           QQD      LEU  68   3.372  -1.029  -2.682
  687    H    GLU  69           HN       GLU  69   8.912  -1.647  -4.021
  688    HA   GLU  69           HA       GLU  69   9.011  -4.376  -5.230
  689   1HB   GLU  69           2HB      GLU  69   9.458  -2.133  -6.519
  690   2HB   GLU  69           3HB      GLU  69  11.003  -2.132  -5.691
  691   1HG   GLU  69           2HG      GLU  69  10.227  -4.658  -7.095
  692   2HG   GLU  69           3HG      GLU  69  10.660  -3.280  -8.099
  693    QB   GLU  69           QB       GLU  69  10.230  -2.132  -6.105
  694    QG   GLU  69           QG       GLU  69  10.444  -3.970  -7.598
  695    H    GLN  70           HN       GLN  70  11.334  -2.128  -3.725
  696    HA   GLN  70           HA       GLN  70  13.299  -3.913  -2.933
  697   1HB   GLN  70           2HB      GLN  70  12.278  -1.447  -1.494
  698   2HB   GLN  70           3HB      GLN  70  13.654  -2.366  -0.904
  699   1HG   GLN  70           2HG      GLN  70  14.533  -2.089  -3.385
  700   2HG   GLN  70           3HG      GLN  70  13.409  -0.731  -3.413
  701   1HE2  GLN  70           2HE      GLN  70  15.534   1.304  -1.488
  702   2HE2  GLN  70           1HE      GLN  70  14.151   1.180  -2.467
  703    QB   GLN  70           QB       GLN  70  12.965  -1.907  -1.199
  704    QG   GLN  70           QG       GLN  70  13.972  -1.409  -3.399
  705    QE2  GLN  70           QE2      GLN  70  14.842   1.242  -1.977
  706    H    ASN  71           HN       ASN  71  10.338  -3.164  -1.083
  707    HA   ASN  71           HA       ASN  71  11.060  -5.318   0.827
  708   1HB   ASN  71           2HB      ASN  71   8.616  -3.530   0.886
  709   2HB   ASN  71           3HB      ASN  71   9.351  -4.397   2.223
  710   1HD2  ASN  71           2HD      ASN  71  10.424  -0.932   2.619
  711   2HD2  ASN  71           1HD      ASN  71   8.976  -1.811   2.666
  712    QB   ASN  71           QB       ASN  71   8.984  -3.964   1.555
  713    QD2  ASN  71           QD2      ASN  71   9.700  -1.371   2.642
  714    H    GLU  72           HN       GLU  72   9.454  -5.121  -2.025
  715    HA   GLU  72           HA       GLU  72   7.520  -6.131  -2.932
  716   1HB   GLU  72           2HB      GLU  72   9.392  -7.714  -3.211
  717   2HB   GLU  72           3HB      GLU  72   8.978  -8.471  -1.677
  718   1HG   GLU  72           2HG      GLU  72   8.052  -9.603  -3.810
  719   2HG   GLU  72           3HG      GLU  72   6.883  -9.287  -2.533
  720    QB   GLU  72           QB       GLU  72   9.185  -8.092  -2.445
  721    QG   GLU  72           QG       GLU  72   7.467  -9.445  -3.172
  722    H    LEU  73           HN       LEU  73   6.068  -5.105  -1.475
  723    HA   LEU  73           HA       LEU  73   5.027  -6.625   0.798
  724   1HB   LEU  73           2HB      LEU  73   4.069  -4.039  -0.494
  725   2HB   LEU  73           3HB      LEU  73   3.560  -4.661   1.061
  726    HG   LEU  73           HG       LEU  73   6.349  -3.716   0.306
  727   1HD1  LEU  73           1HD      LEU  73   4.741  -1.926   0.893
  728   2HD1  LEU  73           2HD      LEU  73   4.381  -2.740   2.410
  729   3HD1  LEU  73           3HD      LEU  73   5.988  -2.084   2.120
  730   1HD2  LEU  73           2HD      LEU  73   5.390  -5.038   2.879
  731   2HD2  LEU  73           3HD      LEU  73   6.576  -5.687   1.744
  732   3HD2  LEU  73           1HD      LEU  73   6.949  -4.249   2.675
  733    QB   LEU  73           QB       LEU  73   3.814  -4.350   0.284
  734    QD1  LEU  73           QD1      LEU  73   5.036  -2.250   1.808
  735    QD2  LEU  73           QD2      LEU  73   6.305  -4.991   2.433
  736    QQD  LEU  73           QQD      LEU  73   5.671  -3.620   2.120
  737    H    GLN  74           HN       GLN  74   4.710  -8.381  -0.792
  738    HA   GLN  74           HA       GLN  74   3.449  -9.427  -2.582
  739   1HB   GLN  74           2HB      GLN  74   2.672  -9.717   0.106
  740   2HB   GLN  74           3HB      GLN  74   1.152  -9.500  -0.740
  741   1HG   GLN  74           2HG      GLN  74   3.165 -11.419  -1.899
  742   2HG   GLN  74           3HG      GLN  74   2.240 -11.917  -0.491
  743   1HE2  GLN  74           2HE      GLN  74   0.320 -11.521  -4.101
  744   2HE2  GLN  74           1HE      GLN  74   1.885 -10.898  -3.911
  745    QB   GLN  74           QB       GLN  74   1.912  -9.608  -0.317
  746    QG   GLN  74           QG       GLN  74   2.703 -11.668  -1.195
  747    QE2  GLN  74           QE2      GLN  74   1.102 -11.209  -4.006
  748    OH   TYR  75           OH       TYR  75   5.890  -4.748  -8.529
  749    H    TYR  75           HN       TYR  75   3.324  -7.307  -3.824
  750    HA   TYR  75           HA       TYR  75   0.461  -6.409  -3.949
  751   1HB   TYR  75           2HB      TYR  75   1.168  -4.264  -4.617
  752   2HB   TYR  75           3HB      TYR  75   2.408  -4.717  -3.452
  753    HD1  TYR  75           HD2      TYR  75   1.640  -4.385  -7.052
  754    HD2  TYR  75           HD1      TYR  75   4.697  -5.236  -4.198
  755    HE1  TYR  75           HE2      TYR  75   3.329  -4.296  -8.821
  756    HE2  TYR  75           HE1      TYR  75   6.373  -5.169  -5.975
  757    HH   TYR  75           HH       TYR  75   6.527  -4.055  -8.333
  758    QB   TYR  75           QB       TYR  75   1.788  -4.491  -4.034
  759    QR   TYR  75           QR       TYR  75   4.009  -4.771  -6.511
  760    H    GLU  76           HN       GLU  76  -0.456  -6.058  -5.973
  761    HA   GLU  76           HA       GLU  76   0.898  -7.264  -8.318
  762   1HB   GLU  76           2HB      GLU  76  -1.535  -8.333  -6.929
  763   2HB   GLU  76           3HB      GLU  76  -1.565  -8.348  -8.682
  764   1HG   GLU  76           2HG      GLU  76  -0.425 -10.303  -8.543
  765   2HG   GLU  76           3HG      GLU  76   0.977  -9.349  -8.088
  766    QB   GLU  76           QB       GLU  76  -1.551  -8.341  -7.805
  767    QG   GLU  76           QG       GLU  76   0.276  -9.827  -8.315
  768    H    VAL  77           HN       VAL  77  -0.938  -7.110 -10.203
  769    HA   VAL  77           HA       VAL  77  -1.785  -4.236 -10.160
  770    HB   VAL  77           HB       VAL  77  -1.234  -5.946 -12.616
  771   1HG1  VAL  77           1HG      VAL  77  -1.406  -2.938 -12.170
  772   2HG1  VAL  77           2HG      VAL  77  -1.024  -3.717 -13.703
  773   3HG1  VAL  77           3HG      VAL  77  -2.614  -3.930 -12.985
  774   1HG2  VAL  77           1HG      VAL  77   0.645  -4.049 -11.146
  775   2HG2  VAL  77           2HG      VAL  77   0.831  -5.796 -11.247
  776   3HG2  VAL  77           3HG      VAL  77   0.985  -4.810 -12.698
  777    QG1  VAL  77           QG1      VAL  77  -1.681  -3.529 -12.953
  778    QG2  VAL  77           QG2      VAL  77   0.820  -4.885 -11.697
  779    QQG  VAL  77           QQG      VAL  77  -0.431  -4.206 -12.324
  780    H    LEU  78           HN       LEU  78  -3.486  -5.712  -8.926
  781    HA   LEU  78           HA       LEU  78  -5.637  -6.670  -8.866
  782   1HB   LEU  78           2HB      LEU  78  -5.865  -4.474 -10.949
  783   2HB   LEU  78           3HB      LEU  78  -7.256  -5.279 -10.227
  784    HG   LEU  78           HG       LEU  78  -5.160  -4.208  -8.363
  785   1HD1  LEU  78           1HD      LEU  78  -7.218  -2.469  -9.765
  786   2HD1  LEU  78           2HD      LEU  78  -6.210  -1.973  -8.410
  787   3HD1  LEU  78           3HD      LEU  78  -5.472  -2.354  -9.963
  788   1HD2  LEU  78           1HD      LEU  78  -7.164  -5.456  -7.555
  789   2HD2  LEU  78           2HD      LEU  78  -7.162  -3.793  -6.978
  790   3HD2  LEU  78           3HD      LEU  78  -8.203  -4.258  -8.315
  791    QB   LEU  78           QB       LEU  78  -6.561  -4.877 -10.588
  792    QD1  LEU  78           QD1      LEU  78  -6.300  -2.266  -9.379
  793    QD2  LEU  78           QD2      LEU  78  -7.509  -4.503  -7.616
  794    QQD  LEU  78           QQD      LEU  78  -6.905  -3.384  -8.498
  795    H    ILE  79           HN       ILE  79  -4.131  -8.389 -10.265
  796    HA   ILE  79           HA       ILE  79  -5.260  -8.927 -12.878
  797    HB   ILE  79           HB       ILE  79  -3.741 -10.891 -12.709
  798   1HG1  ILE  79           2HG      ILE  79  -2.913  -9.812 -10.006
  799   2HG1  ILE  79           3HG      ILE  79  -4.055 -11.135 -10.177
  800   1HG2  ILE  79           1HG      ILE  79  -2.891  -8.703 -13.498
  801   2HG2  ILE  79           2HG      ILE  79  -2.502  -8.261 -11.841
  802   3HG2  ILE  79           3HG      ILE  79  -1.639  -9.577 -12.625
  803   1HD1  ILE  79           1HD      ILE  79  -2.361 -12.427 -11.452
  804   2HD1  ILE  79           2HD      ILE  79  -1.212 -11.108 -11.240
  805   3HD1  ILE  79           3HD      ILE  79  -1.789 -12.007  -9.842
  806    QG1  ILE  79           QG1      ILE  79  -3.484 -10.473 -10.091
  807    QG2  ILE  79           QG2      ILE  79  -2.344  -8.847 -12.655
  808    QD1  ILE  79           QD1      ILE  79  -1.787 -11.847 -10.845
  809    H    ASN  80           HN       ASN  80  -7.293  -8.786 -11.119
  810    HA   ASN  80           HA       ASN  80  -9.287  -9.910 -10.629
  811   1HB   ASN  80           2HB      ASN  80  -7.952 -12.510 -11.456
  812   2HB   ASN  80           3HB      ASN  80  -9.671 -12.155 -11.380
  813   1HD2  ASN  80           2HD      ASN  80  -7.595 -11.163 -14.690
  814   2HD2  ASN  80           1HD      ASN  80  -6.864 -11.976 -13.386
  815    QB   ASN  80           QB       ASN  80  -8.811 -12.332 -11.418
  816    QD2  ASN  80           QD2      ASN  80  -7.229 -11.570 -14.038
  817    H    ASN  81           HN       ASN  81  -6.815  -9.694  -8.917
  818    HA   ASN  81           HA       ASN  81  -7.648 -11.683  -6.850
  819   1HB   ASN  81           2HB      ASN  81  -4.846 -10.832  -7.648
  820   2HB   ASN  81           3HB      ASN  81  -5.200 -11.629  -6.116
  821   1HD2  ASN  81                 ASN  81  -5.687 -13.787  -9.572
  822   2HD2  ASN  81           1HD      ASN  81  -5.815 -12.101  -9.655
  823    QB   ASN  81           QB       ASN  81  -5.024 -11.230  -6.882
  824    QD2  ASN  81           QD2      ASN  81  -5.750 -12.943  -9.613
   
  Start of MODEL          18
 Raw file had 824 H/Q atoms
  Start of MODEL   18
    1   1H    HIS   1           HN1      HIS   1  13.120  13.420 -12.856
    2   2H    HIS   1           HN2      HIS   1  11.511  13.091 -13.066
    3   3H    HIS   1           HN3      HIS   1  11.982  14.543 -12.425
    4    HA   HIS   1           HA       HIS   1  11.893  13.747 -10.400
    5   1HB   HIS   1           2HB      HIS   1  11.481  10.995 -11.586
    6   2HB   HIS   1           3HB      HIS   1  11.016  11.536 -10.002
    7    HD1  HIS   1           HD1      HIS   1   8.792  10.478 -10.946
    8    HD2  HIS   1           HD2      HIS   1   9.704  14.191 -12.473
    9    HE1  HIS   1           HE1      HIS   1   6.658  11.398 -11.959
   10    QB   HIS   1           QB       HIS   1  11.248  11.265 -10.793
   11    H    HIS   2           HN       HIS   2  12.810  11.778  -9.026
   12    HA   HIS   2           HA       HIS   2  15.445  11.921  -8.579
   13   1HB   HIS   2           2HB      HIS   2  13.838  10.421  -7.419
   14   2HB   HIS   2           3HB      HIS   2  13.972   9.280  -8.727
   15    HD1  HIS   2           HD1      HIS   2  16.524   8.430  -9.110
   16    HD2  HIS   2           HD2      HIS   2  15.701   9.962  -5.371
   17    HE1  HIS   2           HE1      HIS   2  18.354   7.624  -7.577
   18    QB   HIS   2           QB       HIS   2  13.905   9.851  -8.074
   19    H    SER   3           HN       SER   3  14.322   9.416 -10.839
   20    HA   SER   3           HA       SER   3  16.969   9.605 -12.228
   21   1HB   SER   3           2HB      SER   3  15.361   7.083 -11.621
   22   2HB   SER   3           3HB      SER   3  16.863   7.136 -12.566
   23    HG   SER   3           HG       SER   3  17.877   7.177 -10.719
   24    QB   SER   3           QB       SER   3  16.112   7.110 -12.094
   25    H    GLY   4           HN       GLY   4  15.162  11.161 -13.236
   26   1HA   GLY   4           1HA      GLY   4  14.688  11.310 -15.704
   27   2HA   GLY   4           2HA      GLY   4  14.034   9.673 -15.600
   28    QA   GLY   4           QA       GLY   4  14.360  10.491 -15.651
   29    H    GLU   5           HN       GLU   5  12.160  11.100 -16.596
   30    HA   GLU   5           HA       GLU   5  10.570  12.305 -14.366
   31   1HB   GLU   5           2HB      GLU   5  10.162  12.529 -17.364
   32   2HB   GLU   5           3HB      GLU   5   9.226  13.364 -16.133
   33   1HG   GLU   5           2HG      GLU   5  12.224  13.696 -16.523
   34   2HG   GLU   5           3HG      GLU   5  11.012  14.814 -17.124
   35    QB   GLU   5           QB       GLU   5   9.694  12.947 -16.749
   36    QG   GLU   5           QG       GLU   5  11.618  14.255 -16.824
   37    H    HIS   6           HN       HIS   6   8.794  11.303 -13.648
   38    HA   HIS   6           HA       HIS   6   7.751   8.949 -15.195
   39   1HB   HIS   6           2HB      HIS   6   7.492   9.288 -12.206
   40   2HB   HIS   6           3HB      HIS   6   7.375   7.826 -13.141
   41    HD1  HIS   6           HD1      HIS   6   9.428   8.546 -10.734
   42    HD2  HIS   6           HD2      HIS   6  10.363   8.177 -14.747
   43    HE1  HIS   6           HE1      HIS   6  11.887   8.041 -10.866
   44    QB   HIS   6           QB       HIS   6   7.434   8.557 -12.674
   45    H    PHE   7           HN       PHE   7   6.727  11.338 -15.862
   46    HA   PHE   7           HA       PHE   7   4.272  11.803 -14.265
   47   1HB   PHE   7           2HB      PHE   7   5.595  13.307 -16.542
   48   2HB   PHE   7           3HB      PHE   7   3.966  13.695 -16.012
   49    HD1  PHE   7          1HD       PHE   7   3.909  13.626 -13.196
   50    HD2  PHE   7          2HD       PHE   7   7.170  14.816 -15.664
   51    HE1  PHE   7          1HE       PHE   7   4.794  14.991 -11.364
   52    HE2  PHE   7          2HE       PHE   7   8.039  16.207 -13.842
   53    HZ   PHE   7           HZ       PHE   7   6.856  16.298 -11.686
   54    QB   PHE   7           QB       PHE   7   4.781  13.501 -16.278
   55    QR   PHE   7           QR       PHE   7   5.978  14.910 -13.516
   56    H    GLU   8           HN       GLU   8   3.993   9.439 -15.112
   57    HA   GLU   8           HA       GLU   8   2.866   9.210 -17.800
   58   1HB   GLU   8           2HB      GLU   8   2.479   7.249 -15.511
   59   2HB   GLU   8           3HB      GLU   8   2.412   6.914 -17.232
   60   1HG   GLU   8           2HG      GLU   8   4.881   7.623 -17.332
   61   2HG   GLU   8           3HG      GLU   8   4.866   7.558 -15.570
   62    QB   GLU   8           QB       GLU   8   2.445   7.082 -16.371
   63    QG   GLU   8           QG       GLU   8   4.873   7.590 -16.451
   64    H    GLY   9           HN       GLY   9   1.606   9.310 -14.521
   65   1HA   GLY   9           1HA      GLY   9  -0.577  10.777 -14.480
   66   2HA   GLY   9           2HA      GLY   9  -1.186   9.521 -15.563
   67    QA   GLY   9           QA       GLY   9  -0.882  10.149 -15.021
   68    H    GLU  10           HN       GLU  10  -2.543   9.793 -13.233
   69    HA   GLU  10           HA       GLU  10  -1.426   8.301 -11.026
   70   1HB   GLU  10           2HB      GLU  10  -4.397   8.583 -11.517
   71   2HB   GLU  10           3HB      GLU  10  -3.536   8.556  -9.984
   72   1HG   GLU  10           2HG      GLU  10  -2.395  10.754 -10.867
   73   2HG   GLU  10           3HG      GLU  10  -3.749  10.808 -11.990
   74    QB   GLU  10           QB       GLU  10  -3.967   8.569 -10.751
   75    QG   GLU  10           QG       GLU  10  -3.072  10.781 -11.429
   76    H    LYS  11           HN       LYS  11  -1.606   6.166 -10.474
   77    HA   LYS  11           HA       LYS  11  -3.034   4.343 -12.386
   78   1HB   LYS  11           2HB      LYS  11  -0.233   4.053 -11.243
   79   2HB   LYS  11           3HB      LYS  11  -1.087   2.728 -12.022
   80   1HG   LYS  11           2HG      LYS  11  -0.754   3.589 -14.118
   81   2HG   LYS  11           3HG      LYS  11  -1.158   5.218 -13.611
   82   1HD   LYS  11           2HD      LYS  11   1.125   5.323 -14.268
   83   2HD   LYS  11           3HD      LYS  11   1.150   5.311 -12.512
   84   1HE   LYS  11           2HE      LYS  11   1.657   2.900 -12.508
   85   2HE   LYS  11           3HE      LYS  11   1.555   2.860 -14.264
   86   1HZ   LYS  11           2HZ      LYS  11   3.351   4.892 -13.510
   87   2HZ   LYS  11           3HZ      LYS  11   3.785   3.453 -12.688
   88   3HZ   LYS  11           1HZ      LYS  11   3.675   3.499 -14.392
   89    QB   LYS  11           QB       LYS  11  -0.661   3.390 -11.633
   90    QG   LYS  11           QG       LYS  11  -0.956   4.403 -13.865
   91    QD   LYS  11           QD       LYS  11   1.138   5.318 -13.390
   92    QE   LYS  11           QE       LYS  11   1.606   2.880 -13.386
   93    QZ   LYS  11           QZ       LYS  11   3.603   3.948 -13.530
   94    H    VAL  12           HN       VAL  12  -3.319   2.086 -11.361
   95    HA   VAL  12           HA       VAL  12  -4.018   2.391  -8.455
   96    HB   VAL  12           HB       VAL  12  -5.445   0.571 -10.412
   97   1HG1  VAL  12           1HG      VAL  12  -5.755   0.165  -7.974
   98   2HG1  VAL  12           2HG      VAL  12  -6.300   1.822  -7.774
   99   3HG1  VAL  12           3HG      VAL  12  -7.251   0.693  -8.734
  100   1HG2  VAL  12           3HG      VAL  12  -5.624   2.877 -11.282
  101   2HG2  VAL  12           1HG      VAL  12  -7.171   2.309 -10.671
  102   3HG2  VAL  12           2HG      VAL  12  -6.204   3.426  -9.713
  103    QG1  VAL  12           QG1      VAL  12  -6.435   0.893  -8.161
  104    QG2  VAL  12           QG2      VAL  12  -6.333   2.871 -10.555
  105    QQG  VAL  12           QQG      VAL  12  -6.384   1.882  -9.358
  106    H    PHE  13           HN       PHE  13  -3.769   0.500  -7.114
  107    HA   PHE  13           HA       PHE  13  -2.474  -1.885  -8.325
  108   1HB   PHE  13           2HB      PHE  13  -1.229  -0.428  -5.960
  109   2HB   PHE  13           3HB      PHE  13  -0.604  -1.873  -6.744
  110    HD1  PHE  13          1HD       PHE  13  -1.364   1.724  -7.338
  111    HD2  PHE  13          2HD       PHE  13   0.837  -1.692  -8.622
  112    HE1  PHE  13          1HE       PHE  13  -0.139   3.117  -8.936
  113    HE2  PHE  13          2HE       PHE  13   2.114  -0.273 -10.188
  114    HZ   PHE  13           HZ       PHE  13   1.600   2.130 -10.363
  115    QB   PHE  13           QB       PHE  13  -0.916  -1.151  -6.352
  116    QR   PHE  13           QR       PHE  13   0.363   0.719  -8.771
  117    NH1  ARG  14           NH2      ARG  14  -6.618  -7.360  -8.012
  118    NH2  ARG  14           NH1      ARG  14  -8.713  -6.557  -7.664
  119    H    ARG  14           HN       ARG  14  -2.385  -3.731  -6.867
  120    HA   ARG  14           HA       ARG  14  -4.284  -3.499  -4.565
  121   1HB   ARG  14           2HB      ARG  14  -5.310  -4.799  -6.398
  122   2HB   ARG  14           3HB      ARG  14  -3.906  -5.860  -6.456
  123   1HG   ARG  14           2HG      ARG  14  -4.344  -6.701  -4.240
  124   2HG   ARG  14           3HG      ARG  14  -5.548  -5.456  -3.928
  125   1HD   ARG  14           2HD      ARG  14  -5.763  -7.834  -5.786
  126   2HD   ARG  14           3HD      ARG  14  -6.788  -7.431  -4.416
  127    HE   ARG  14           HE       ARG  14  -7.451  -5.336  -5.814
  128   1HH1  ARG  14           2HH      ARG  14  -5.676  -7.505  -7.678
  129   2HH1  ARG  14           1HH      ARG  14  -6.870  -7.699  -8.932
  130   1HH2  ARG  14           2HH      ARG  14  -9.368  -6.084  -7.071
  131   2HH2  ARG  14           1HH      ARG  14  -8.999  -6.908  -8.568
  132    QB   ARG  14           QB       ARG  14  -4.608  -5.329  -6.427
  133    QG   ARG  14           QG       ARG  14  -4.946  -6.079  -4.084
  134    QD   ARG  14           QD       ARG  14  -6.275  -7.632  -5.101
  135    QH1  ARG  14           QH2      ARG  14  -6.272  -7.602  -8.305
  136    QH2  ARG  14           QH1      ARG  14  -9.183  -6.496  -7.820
  137    H    VAL  15           HN       VAL  15  -3.192  -3.814  -2.700
  138    HA   VAL  15           HA       VAL  15  -0.663  -5.396  -2.783
  139    HB   VAL  15           HB       VAL  15  -1.571  -3.657  -0.480
  140   1HG1  VAL  15           3HG      VAL  15   0.389  -5.139  -0.140
  141   2HG1  VAL  15           1HG      VAL  15   1.177  -4.381  -1.520
  142   3HG1  VAL  15           2HG      VAL  15   0.843  -3.438  -0.076
  143   1HG2  VAL  15           2HG      VAL  15  -0.084  -2.717  -2.960
  144   2HG2  VAL  15           3HG      VAL  15  -1.702  -2.217  -2.479
  145   3HG2  VAL  15           1HG      VAL  15  -0.312  -1.760  -1.499
  146    QG1  VAL  15           QG1      VAL  15   0.803  -4.319  -0.578
  147    QG2  VAL  15           QG2      VAL  15  -0.699  -2.232  -2.313
  148    QQG  VAL  15           QQG      VAL  15   0.052  -3.276  -1.445
  149    H    ASN  16           HN       ASN  16  -0.362  -6.994  -1.104
  150    HA   ASN  16           HA       ASN  16  -2.947  -8.032  -0.029
  151   1HB   ASN  16           2HB      ASN  16  -0.297  -9.432  -0.541
  152   2HB   ASN  16           3HB      ASN  16  -1.692 -10.181   0.199
  153   1HD2  ASN  16           2HD      ASN  16  -1.729  -9.373  -3.805
  154   2HD2  ASN  16           1HD      ASN  16  -0.618  -8.580  -2.788
  155    QB   ASN  16           QB       ASN  16  -0.994  -9.806  -0.171
  156    QD2  ASN  16           QD2      ASN  16  -1.174  -8.976  -3.297
  157    H    VAL  17           HN       VAL  17  -2.932  -8.745   2.108
  158    HA   VAL  17           HA       VAL  17  -0.631  -7.827   3.773
  159    HB   VAL  17           HB       VAL  17  -3.595  -7.452   4.384
  160   1HG1  VAL  17           1HG      VAL  17  -2.169  -7.881   6.391
  161   2HG1  VAL  17           2HG      VAL  17  -1.142  -6.531   5.927
  162   3HG1  VAL  17           3HG      VAL  17  -2.821  -6.249   6.368
  163   1HG2  VAL  17           2HG      VAL  17  -1.444  -5.414   3.700
  164   2HG2  VAL  17           3HG      VAL  17  -2.794  -5.871   2.666
  165   3HG2  VAL  17           1HG      VAL  17  -3.093  -5.030   4.186
  166    QG1  VAL  17           QG1      VAL  17  -2.044  -6.887   6.229
  167    QG2  VAL  17           QG2      VAL  17  -2.444  -5.439   3.517
  168    QQG  VAL  17           QQG      VAL  17  -2.244  -6.162   4.873
  169    H    GLU  18           HN       GLU  18   0.002  -9.393   5.161
  170    HA   GLU  18           HA       GLU  18  -1.814 -11.725   5.520
  171   1HB   GLU  18           2HB      GLU  18   1.190 -11.424   5.416
  172   2HB   GLU  18           3HB      GLU  18   0.442 -12.828   6.144
  173   1HG   GLU  18           2HG      GLU  18  -0.168 -11.866   3.325
  174   2HG   GLU  18           3HG      GLU  18   0.973 -13.154   3.695
  175    QB   GLU  18           QB       GLU  18   0.817 -12.126   5.779
  176    QG   GLU  18           QG       GLU  18   0.402 -12.509   3.510
  177    H    ASP  19           HN       ASP  19   0.258  -9.410   7.165
  178    HA   ASP  19           HA       ASP  19  -1.161 -10.062   9.679
  179   1HB   ASP  19           2HB      ASP  19   0.812 -10.454  11.000
  180   2HB   ASP  19           3HB      ASP  19   0.926 -11.517   9.621
  181    QB   ASP  19           QB       ASP  19   0.869 -10.985  10.311
  182    H    GLU  20           HN       GLU  20   0.412  -8.643  11.363
  183    HA   GLU  20           HA       GLU  20  -0.390  -5.974  10.884
  184   1HB   GLU  20           2HB      GLU  20   1.709  -7.196  12.715
  185   2HB   GLU  20           3HB      GLU  20   1.199  -5.531  12.803
  186   1HG   GLU  20           2HG      GLU  20  -0.394  -6.266  14.260
  187   2HG   GLU  20           3HG      GLU  20  -1.231  -6.857  12.833
  188    QB   GLU  20           QB       GLU  20   1.454  -6.364  12.759
  189    QG   GLU  20           QG       GLU  20  -0.812  -6.561  13.546
  190    H    ASN  21           HN       ASN  21   2.762  -7.576  10.452
  191    HA   ASN  21           HA       ASN  21   4.470  -5.507   9.806
  192   1HB   ASN  21           2HB      ASN  21   5.115  -7.901   9.667
  193   2HB   ASN  21           3HB      ASN  21   4.200  -8.063   8.172
  194   1HD2  ASN  21           2HD      ASN  21   6.595  -6.262   6.225
  195   2HD2  ASN  21           1HD      ASN  21   5.041  -6.958   6.252
  196    QB   ASN  21           QB       ASN  21   4.657  -7.982   8.919
  197    QD2  ASN  21           QD2      ASN  21   5.817  -6.609   6.238
  198    H    ASP  22           HN       ASP  22   2.656  -7.171   7.259
  199    HA   ASP  22           HA       ASP  22   3.039  -5.422   5.137
  200   1HB   ASP  22           2HB      ASP  22   0.760  -7.171   6.033
  201   2HB   ASP  22           3HB      ASP  22   0.603  -6.268   4.543
  202    QB   ASP  22           QB       ASP  22   0.681  -6.719   5.287
  203    H    ILE  23           HN       ILE  23   0.567  -5.178   7.662
  204    HA   ILE  23           HA       ILE  23  -0.674  -2.788   6.617
  205    HB   ILE  23           HB       ILE  23  -0.542  -3.874   9.463
  206   1HG1  ILE  23           2HG      ILE  23  -2.661  -4.077   7.295
  207   2HG1  ILE  23           3HG      ILE  23  -1.584  -5.370   7.798
  208   1HG2  ILE  23           2HG      ILE  23  -2.366  -1.752   8.268
  209   2HG2  ILE  23           3HG      ILE  23  -2.487  -2.406   9.896
  210   3HG2  ILE  23           1HG      ILE  23  -1.086  -1.455   9.439
  211   1HD1  ILE  23           3HD      ILE  23  -2.534  -5.285  10.087
  212   2HD1  ILE  23           1HD      ILE  23  -3.649  -4.025   9.569
  213   3HD1  ILE  23           2HD      ILE  23  -3.769  -5.640   8.882
  214    QG1  ILE  23           QG1      ILE  23  -2.123  -4.724   7.547
  215    QG2  ILE  23           QG2      ILE  23  -1.979  -1.871   9.201
  216    QD1  ILE  23           QD1      ILE  23  -3.317  -4.984   9.512
  217    H    SER  24           HN       SER  24   1.909  -3.356   8.896
  218    HA   SER  24           HA       SER  24   2.302  -0.630   9.756
  219   1HB   SER  24           2HB      SER  24   4.419  -2.845   9.603
  220   2HB   SER  24           3HB      SER  24   4.351  -1.488  10.747
  221    HG   SER  24           HG       SER  24   2.785  -3.825  10.624
  222    QB   SER  24           QB       SER  24   4.385  -2.166  10.175
  223    H    GLU  25           HN       GLU  25   4.267  -2.627   7.506
  224    HA   GLU  25           HA       GLU  25   5.816  -0.557   6.407
  225   1HB   GLU  25           2HB      GLU  25   4.864  -3.231   5.510
  226   2HB   GLU  25           3HB      GLU  25   5.284  -2.160   4.192
  227   1HG   GLU  25           2HG      GLU  25   7.516  -1.758   5.299
  228   2HG   GLU  25           3HG      GLU  25   7.063  -2.911   6.551
  229    QB   GLU  25           QB       GLU  25   5.074  -2.696   4.851
  230    QG   GLU  25           QG       GLU  25   7.289  -2.334   5.925
  231    H    LEU  26           HN       LEU  26   2.506  -1.597   5.539
  232    HA   LEU  26           HA       LEU  26   2.125   0.274   3.419
  233   1HB   LEU  26           2HB      LEU  26   0.508  -1.588   4.524
  234   2HB   LEU  26           3HB      LEU  26  -0.124  -0.191   5.370
  235    HG   LEU  26           HG       LEU  26   0.098  -0.502   2.354
  236   1HD1  LEU  26           1HD      LEU  26  -1.688  -1.868   3.377
  237   2HD1  LEU  26           2HD      LEU  26  -2.315  -0.449   4.205
  238   3HD1  LEU  26           3HD      LEU  26  -2.380  -0.545   2.449
  239   1HD2  LEU  26           2HD      LEU  26  -1.072   1.758   4.025
  240   2HD2  LEU  26           3HD      LEU  26   0.373   1.859   3.021
  241   3HD2  LEU  26           1HD      LEU  26  -1.194   1.621   2.277
  242    QB   LEU  26           QB       LEU  26   0.192  -0.889   4.947
  243    QD1  LEU  26           QD1      LEU  26  -2.128  -0.954   3.343
  244    QD2  LEU  26           QD2      LEU  26  -0.631   1.746   3.108
  245    QQD  LEU  26           QQD      LEU  26  -1.379   0.396   3.225
  246    H    HIS  27           HN       HIS  27   1.554   0.608   6.914
  247    HA   HIS  27           HA       HIS  27   0.659   3.289   6.955
  248   1HB   HIS  27           2HB      HIS  27   2.256   1.681   8.940
  249   2HB   HIS  27           3HB      HIS  27   1.824   3.312   9.275
  250    HD1  HIS  27           HD1      HIS  27   0.319   2.707  11.127
  251    HD2  HIS  27           HD2      HIS  27  -0.872   0.852   7.670
  252    HE1  HIS  27           HE1      HIS  27  -1.939   1.698  11.613
  253    QB   HIS  27           QB       HIS  27   2.040   2.496   9.108
  254    H    GLU  28           HN       GLU  28   4.049   2.231   7.557
  255    HA   GLU  28           HA       GLU  28   5.405   4.460   7.826
  256   1HB   GLU  28           2HB      GLU  28   5.981   2.078   6.026
  257   2HB   GLU  28           3HB      GLU  28   7.121   3.086   6.803
  258   1HG   GLU  28           2HG      GLU  28   5.410   1.051   8.078
  259   2HG   GLU  28           3HG      GLU  28   7.124   1.308   8.265
  260    QB   GLU  28           QB       GLU  28   6.551   2.582   6.414
  261    QG   GLU  28           QG       GLU  28   6.267   1.180   8.172
  262    H    LEU  29           HN       LEU  29   4.589   3.112   4.635
  263    HA   LEU  29           HA       LEU  29   5.796   4.917   2.955
  264   1HB   LEU  29           2HB      LEU  29   4.468   2.992   2.181
  265   2HB   LEU  29           3HB      LEU  29   2.985   3.808   2.664
  266    HG   LEU  29           HG       LEU  29   3.294   5.538   0.992
  267   1HD1  LEU  29           3HD      LEU  29   5.977   4.219   0.408
  268   2HD1  LEU  29           1HD      LEU  29   5.263   5.530  -0.524
  269   3HD1  LEU  29           2HD      LEU  29   5.746   5.805   1.141
  270   1HD2  LEU  29           1HD      LEU  29   3.948   2.801  -0.156
  271   2HD2  LEU  29           2HD      LEU  29   2.334   3.411   0.187
  272   3HD2  LEU  29           3HD      LEU  29   3.304   4.157  -1.077
  273    QB   LEU  29           QB       LEU  29   3.727   3.401   2.423
  274    QD1  LEU  29           QD1      LEU  29   5.662   5.185   0.341
  275    QD2  LEU  29           QD2      LEU  29   3.196   3.456  -0.348
  276    QQD  LEU  29           QQD      LEU  29   4.429   4.321  -0.004
  277    H    ALA  30           HN       ALA  30   2.644   5.494   4.534
  278    HA   ALA  30           HA       ALA  30   2.234   8.040   3.203
  279   1HB   ALA  30           1HB      ALA  30   0.981   6.890   5.713
  280   2HB   ALA  30           2HB      ALA  30   0.411   8.331   4.876
  281   3HB   ALA  30           3HB      ALA  30   0.347   6.764   4.074
  282    QB   ALA  30           QB       ALA  30   0.580   7.329   4.887
  283    H    SER  31           HN       SER  31   4.726   7.500   5.005
  284    HA   SER  31           HA       SER  31   4.525   9.889   6.767
  285   1HB   SER  31           2HB      SER  31   6.791   7.867   6.443
  286   2HB   SER  31           3HB      SER  31   6.677   9.121   7.695
  287    HG   SER  31           HG       SER  31   5.113   6.822   7.283
  288    QB   SER  31           QB       SER  31   6.734   8.494   7.069
  289    H    THR  32           HN       THR  32   5.912   8.762   3.805
  290    HA   THR  32           HA       THR  32   7.385  11.361   3.486
  291    HB   THR  32           HB       THR  32   8.741   9.980   1.747
  292    HG1  THR  32          1HG       THR  32   7.887   7.746   3.183
  293   1HG2  THR  32           2HG      THR  32   8.812   8.978   4.640
  294   2HG2  THR  32           3HG      THR  32  10.115   8.825   3.463
  295   3HG2  THR  32           1HG      THR  32   9.659  10.412   4.071
  296    QG2  THR  32           QG2      THR  32   9.529   9.405   4.058
  297    NH1  ARG  33           NH2      ARG  33   9.157   9.864  -4.341
  298    NH2  ARG  33           NH1      ARG  33   7.654  11.578  -4.418
  299    H    ARG  33           HN       ARG  33   5.863   8.771   1.616
  300    HA   ARG  33           HA       ARG  33   4.844  10.843  -0.299
  301   1HB   ARG  33           2HB      ARG  33   5.142   7.891  -0.881
  302   2HB   ARG  33           3HB      ARG  33   5.045   9.224  -2.028
  303   1HG   ARG  33           2HG      ARG  33   7.232  10.073  -0.802
  304   2HG   ARG  33           3HG      ARG  33   7.361   8.404  -0.263
  305   1HD   ARG  33           2HD      ARG  33   8.618   8.618  -2.310
  306   2HD   ARG  33           3HD      ARG  33   7.159   7.700  -2.688
  307    HE   ARG  33           HE       ARG  33   6.167   9.907  -3.491
  308   1HH1  ARG  33           2HH      ARG  33   9.403   8.971  -3.974
  309   2HH1  ARG  33           1HH      ARG  33   9.791  10.339  -4.961
  310   1HH2  ARG  33           2HH      ARG  33   6.718  11.907  -4.206
  311   2HH2  ARG  33           1HH      ARG  33   8.288  12.166  -4.923
  312    QB   ARG  33           QB       ARG  33   5.094   8.557  -1.454
  313    QG   ARG  33           QG       ARG  33   7.296   9.239  -0.532
  314    QD   ARG  33           QD       ARG  33   7.888   8.159  -2.499
  315    QH1  ARG  33           QH2      ARG  33   9.596   9.655  -4.468
  316    QH2  ARG  33           QH1      ARG  33   7.503  12.037  -4.564
  317    H    GLN  34           HN       GLN  34   2.730  11.130  -0.281
  318    HA   GLN  34           HA       GLN  34   1.027   9.197   1.208
  319   1HB   GLN  34           2HB      GLN  34  -0.635  11.193   1.058
  320   2HB   GLN  34           3HB      GLN  34   0.759  11.348   2.117
  321   1HG   GLN  34           2HG      GLN  34   1.687  13.015   0.859
  322   2HG   GLN  34           3HG      GLN  34   1.296  12.222  -0.662
  323   1HE2  GLN  34           2HE      GLN  34  -1.571  14.659   0.979
  324   2HE2  GLN  34           1HE      GLN  34  -0.492  13.860   2.019
  325    QB   GLN  34           QB       GLN  34   0.062  11.270   1.588
  326    QG   GLN  34           QG       GLN  34   1.492  12.620   0.098
  327    QE2  GLN  34           QE2      GLN  34  -1.031  14.259   1.499
  328    H    ILE  35           HN       ILE  35  -0.558   8.078   0.301
  329    HA   ILE  35           HA       ILE  35  -1.288   8.667  -2.536
  330    HB   ILE  35           HB       ILE  35  -1.645   6.126  -2.699
  331   1HG1  ILE  35           2HG      ILE  35  -1.233   6.086  -0.026
  332   2HG1  ILE  35           3HG      ILE  35  -0.911   4.701  -1.047
  333   1HG2  ILE  35           2HG      ILE  35   1.154   7.273  -2.395
  334   2HG2  ILE  35           3HG      ILE  35   0.764   5.775  -3.237
  335   3HG2  ILE  35           1HG      ILE  35   0.166   7.312  -3.847
  336   1HD1  ILE  35           2HD      ILE  35   1.155   6.759  -0.168
  337   2HD1  ILE  35           3HD      ILE  35   0.974   5.138   0.490
  338   3HD1  ILE  35           1HD      ILE  35   1.479   5.357  -1.182
  339    QG1  ILE  35           QG1      ILE  35  -1.071   5.394  -0.537
  340    QG2  ILE  35           QG2      ILE  35   0.694   6.787  -3.160
  341    QD1  ILE  35           QD1      ILE  35   1.203   5.751  -0.286
  342    H    ASP  36           HN       ASP  36  -3.359   7.473  -3.128
  343    HA   ASP  36           HA       ASP  36  -5.394   8.005  -1.006
  344   1HB   ASP  36           2HB      ASP  36  -6.181   7.505  -3.851
  345   2HB   ASP  36           3HB      ASP  36  -6.809   8.692  -2.718
  346    QB   ASP  36           QB       ASP  36  -6.495   8.099  -3.284
  347    H    PHE  37           HN       PHE  37  -7.168   6.378  -0.796
  348    HA   PHE  37           HA       PHE  37  -6.386   3.676  -1.834
  349   1HB   PHE  37           2HB      PHE  37  -7.319   4.372   0.971
  350   2HB   PHE  37           3HB      PHE  37  -7.228   2.725   0.360
  351    HD1  PHE  37          1HD       PHE  37  -5.147   5.777   0.921
  352    HD2  PHE  37          2HD       PHE  37  -5.179   1.555   0.409
  353    HE1  PHE  37          1HE       PHE  37  -2.751   5.702   1.406
  354    HE2  PHE  37          2HE       PHE  37  -2.765   1.480   0.837
  355    HZ   PHE  37           HZ       PHE  37  -1.545   3.556   1.360
  356    QB   PHE  37           QB       PHE  37  -7.274   3.548   0.666
  357    QR   PHE  37           QR       PHE  37  -3.961   3.628   0.894
  358    CH2  TRP  38           CH2      TRP  38  -9.001   4.624  -8.536
  359    H    TRP  38           HN       TRP  38  -8.057   2.124  -2.072
  360    HA   TRP  38           HA       TRP  38 -10.803   3.302  -2.143
  361   1HB   TRP  38           2HB      TRP  38  -9.416   1.543  -4.151
  362   2HB   TRP  38           3HB      TRP  38 -11.146   1.740  -4.130
  363    HD1  TRP  38           HD1      TRP  38 -10.851   4.979  -3.335
  364    HE1  TRP  38           HE1      TRP  38 -10.492   6.559  -5.214
  365    HE3  TRP  38           HE3      TRP  38  -9.007   1.755  -6.704
  366    HZ2  TRP  38           HZ2      TRP  38  -9.646   6.540  -7.841
  367    HZ3  TRP  38           HZ3      TRP  38  -8.461   2.605  -8.970
  368    HH2  TRP  38           HH2      TRP  38  -8.760   4.980  -9.530
  369    QB   TRP  38           QB       TRP  38 -10.281   1.641  -4.141
  370    H    LYS  39           HN       LYS  39  -9.169   0.097  -2.181
  371    HA   LYS  39           HA       LYS  39 -11.474  -0.823  -0.468
  372   1HB   LYS  39           2HB      LYS  39  -9.807  -2.576  -2.298
  373   2HB   LYS  39           3HB      LYS  39 -11.257  -3.042  -1.423
  374   1HG   LYS  39           2HG      LYS  39 -12.520  -1.276  -2.699
  375   2HG   LYS  39           3HG      LYS  39 -11.070  -1.013  -3.660
  376   1HD   LYS  39           2HD      LYS  39 -11.163  -3.609  -4.070
  377   2HD   LYS  39           3HD      LYS  39 -12.843  -3.456  -3.547
  378   1HE   LYS  39           2HE      LYS  39 -12.843  -3.166  -5.939
  379   2HE   LYS  39           3HE      LYS  39 -13.086  -1.568  -5.237
  380   1HZ   LYS  39           2HZ      LYS  39 -10.308  -2.187  -5.495
  381   2HZ   LYS  39           3HZ      LYS  39 -11.090  -2.328  -6.986
  382   3HZ   LYS  39           1HZ      LYS  39 -11.179  -0.857  -6.135
  383    QB   LYS  39           QB       LYS  39 -10.532  -2.809  -1.860
  384    QG   LYS  39           QG       LYS  39 -11.795  -1.144  -3.179
  385    QD   LYS  39           QD       LYS  39 -12.003  -3.533  -3.809
  386    QE   LYS  39           QE       LYS  39 -12.965  -2.367  -5.588
  387    QZ   LYS  39           QZ       LYS  39 -10.859  -1.790  -6.206
  388    HA   PRO  40           HA       PRO  40 -11.979  -2.829   0.500
  389   1HB   PRO  40           2HB      PRO  40 -12.074  -3.503   3.206
  390   2HB   PRO  40           3HB      PRO  40 -11.694  -4.626   1.899
  391   1HG   PRO  40           2HG      PRO  40  -9.809  -3.205   3.774
  392   2HG   PRO  40           3HG      PRO  40  -9.700  -4.842   3.115
  393   1HD   PRO  40           2HD      PRO  40  -8.207  -2.775   2.104
  394   2HD   PRO  40           3HD      PRO  40  -8.781  -4.113   1.092
  395    QB   PRO  40           QB       PRO  40 -11.883  -4.065   2.553
  396    QG   PRO  40           QG       PRO  40  -9.755  -4.023   3.444
  397    QD   PRO  40           QD       PRO  40  -8.494  -3.444   1.598
  398    H    ASP  41           HN       ASP  41 -10.688  -1.367   3.456
  399    HA   ASP  41           HA       ASP  41 -12.755   0.795   3.244
  400   1HB   ASP  41           2HB      ASP  41 -13.204  -0.890   5.048
  401   2HB   ASP  41           3HB      ASP  41 -11.656  -0.509   5.776
  402    QB   ASP  41           QB       ASP  41 -12.429  -0.700   5.412
  403    H    SER  42           HN       SER  42 -10.708   1.050   5.882
  404    HA   SER  42           HA       SER  42  -8.912   2.968   4.450
  405   1HB   SER  42           2HB      SER  42  -9.711   3.068   7.394
  406   2HB   SER  42           3HB      SER  42  -8.930   4.348   6.444
  407    HG   SER  42           HG       SER  42 -11.550   3.314   6.270
  408    QB   SER  42           QB       SER  42  -9.320   3.708   6.918
  409    H    VAL  43           HN       VAL  43  -6.748   3.058   5.205
  410    HA   VAL  43           HA       VAL  43  -5.333   0.753   5.552
  411    HB   VAL  43           HB       VAL  43  -4.314   2.954   5.190
  412   1HG1  VAL  43           1HG      VAL  43  -5.786   4.228   6.771
  413   2HG1  VAL  43           2HG      VAL  43  -4.907   3.511   8.117
  414   3HG1  VAL  43           3HG      VAL  43  -4.078   4.581   6.998
  415   1HG2  VAL  43           1HG      VAL  43  -2.892   1.154   6.103
  416   2HG2  VAL  43           2HG      VAL  43  -2.366   2.734   6.672
  417   3HG2  VAL  43           3HG      VAL  43  -3.281   1.672   7.738
  418    QG1  VAL  43           QG1      VAL  43  -4.924   4.107   7.295
  419    QG2  VAL  43           QG2      VAL  43  -2.846   1.853   6.838
  420    QQG  VAL  43           QQG      VAL  43  -3.885   2.979   7.066
  421    H    THR  44           HN       THR  44  -6.749   2.604   8.217
  422    HA   THR  44           HA       THR  44  -5.769   0.928  10.336
  423    HB   THR  44           HB       THR  44  -7.806   2.214  11.521
  424    HG1  THR  44          1HG       THR  44  -8.903   2.946   9.782
  425   1HG2  THR  44           1HG      THR  44  -5.551   3.774  10.160
  426   2HG2  THR  44           2HG      THR  44  -6.459   4.295  11.574
  427   3HG2  THR  44           3HG      THR  44  -5.361   2.922  11.689
  428    QG2  THR  44           QG2      THR  44  -5.791   3.663  11.141
  429    H    GLN  45           HN       GLN  45  -8.632   0.821   8.366
  430    HA   GLN  45           HA       GLN  45  -9.928  -1.206  10.096
  431   1HB   GLN  45           2HB      GLN  45 -11.279   0.631   9.202
  432   2HB   GLN  45           3HB      GLN  45 -10.785   0.237   7.571
  433   1HG   GLN  45           2HG      GLN  45 -13.050  -0.586   8.008
  434   2HG   GLN  45           3HG      GLN  45 -11.961  -1.929   7.724
  435   1HE2  GLN  45           2HE      GLN  45 -13.865  -1.610  11.285
  436   2HE2  GLN  45           1HE      GLN  45 -14.050  -0.421  10.082
  437    QB   GLN  45           QB       GLN  45 -11.033   0.434   8.387
  438    QG   GLN  45           QG       GLN  45 -12.505  -1.257   7.866
  439    QE2  GLN  45           QE2      GLN  45 -13.957  -1.015  10.684
  440    H    ILE  46           HN       ILE  46  -7.846  -1.069   7.416
  441    HA   ILE  46           HA       ILE  46  -8.585  -3.365   5.914
  442    HB   ILE  46           HB       ILE  46  -6.210  -1.671   6.282
  443   1HG1  ILE  46           2HG      ILE  46  -5.893  -2.339   3.829
  444   2HG1  ILE  46           3HG      ILE  46  -7.370  -3.278   3.998
  445   1HG2  ILE  46           3HG      ILE  46  -5.657  -4.583   5.625
  446   2HG2  ILE  46           1HG      ILE  46  -4.507  -3.259   5.469
  447   3HG2  ILE  46           2HG      ILE  46  -5.100  -3.720   7.059
  448   1HD1  ILE  46           1HD      ILE  46  -8.579  -1.215   4.708
  449   2HD1  ILE  46           2HD      ILE  46  -7.088  -0.299   4.523
  450   3HD1  ILE  46           3HD      ILE  46  -7.857  -1.010   3.114
  451    QG1  ILE  46           QG1      ILE  46  -6.631  -2.807   3.913
  452    QG2  ILE  46           QG2      ILE  46  -5.088  -3.854   6.051
  453    QD1  ILE  46           QD1      ILE  46  -7.841  -0.841   4.115
  454    H    LYS  47           HN       LYS  47  -7.900  -5.607   6.126
  455    HA   LYS  47           HA       LYS  47  -7.010  -6.311   8.894
  456   1HB   LYS  47           2HB      LYS  47  -9.304  -7.277   7.316
  457   2HB   LYS  47           3HB      LYS  47  -8.303  -8.585   7.920
  458   1HG   LYS  47           2HG      LYS  47  -9.892  -8.174   9.655
  459   2HG   LYS  47           3HG      LYS  47  -8.401  -7.437  10.215
  460   1HD   LYS  47           2HD      LYS  47 -10.003  -5.763  10.629
  461   2HD   LYS  47           3HD      LYS  47  -9.296  -5.258   9.101
  462   1HE   LYS  47           2HE      LYS  47 -11.156  -6.476   7.910
  463   2HE   LYS  47           3HE      LYS  47 -11.889  -6.794   9.476
  464   1HZ   LYS  47           3HZ      LYS  47 -11.241  -4.029   9.208
  465   2HZ   LYS  47           1HZ      LYS  47 -12.179  -4.539   7.901
  466   3HZ   LYS  47           2HZ      LYS  47 -12.759  -4.752   9.485
  467    QB   LYS  47           QB       LYS  47  -8.803  -7.930   7.617
  468    QG   LYS  47           QG       LYS  47  -9.146  -7.806   9.936
  469    QD   LYS  47           QD       LYS  47  -9.650  -5.511   9.865
  470    QE   LYS  47           QE       LYS  47 -11.522  -6.634   8.693
  471    QZ   LYS  47           QZ       LYS  47 -12.060  -4.441   8.865
  472    HA   PRO  48           HA       PRO  48  -3.954  -8.918   6.911
  473   1HB   PRO  48           2HB      PRO  48  -4.454 -11.093   8.842
  474   2HB   PRO  48           3HB      PRO  48  -3.017 -10.090   8.636
  475   1HG   PRO  48           2HG      PRO  48  -4.675  -9.840  10.808
  476   2HG   PRO  48           3HG      PRO  48  -3.732  -8.490  10.156
  477   1HD   PRO  48           2HD      PRO  48  -6.663  -9.106   9.783
  478   2HD   PRO  48           3HD      PRO  48  -5.861  -7.531   9.961
  479    QB   PRO  48           QB       PRO  48  -3.736 -10.592   8.739
  480    QG   PRO  48           QG       PRO  48  -4.204  -9.165  10.482
  481    QD   PRO  48           QD       PRO  48  -6.262  -8.318   9.873
  482    H    HIS  49           HN       HIS  49  -3.687 -10.868   5.727
  483    HA   HIS  49           HA       HIS  49  -4.381 -12.440   4.164
  484   1HB   HIS  49           2HB      HIS  49  -6.531 -13.020   6.210
  485   2HB   HIS  49           3HB      HIS  49  -6.016 -14.088   4.932
  486    HD1  HIS  49           HD1      HIS  49  -3.021 -13.897   5.232
  487    HD2  HIS  49           HD2      HIS  49  -5.493 -14.287   8.507
  488    HE1  HIS  49           HE1      HIS  49  -1.640 -14.932   7.053
  489    QB   HIS  49           QB       HIS  49  -6.274 -13.554   5.571
  490    H    SER  50           HN       SER  50  -5.150  -9.963   3.646
  491    HA   SER  50           HA       SER  50  -7.515 -10.323   1.938
  492   1HB   SER  50           2HB      SER  50  -7.383  -8.115   4.042
  493   2HB   SER  50           3HB      SER  50  -8.602  -8.223   2.763
  494    HG   SER  50           HG       SER  50  -8.372 -10.625   3.955
  495    QB   SER  50           QB       SER  50  -7.993  -8.169   3.403
  496    H    THR  51           HN       THR  51  -7.614  -8.308   0.391
  497    HA   THR  51           HA       THR  51  -4.867  -7.150   0.179
  498    HB   THR  51           HB       THR  51  -4.995  -7.362  -2.258
  499    HG1  THR  51          1HG       THR  51  -7.555  -7.167  -1.780
  500   1HG2  THR  51           2HG      THR  51  -4.560  -9.533  -0.952
  501   2HG2  THR  51           3HG      THR  51  -6.277  -9.873  -1.085
  502   3HG2  THR  51           1HG      THR  51  -5.285  -9.783  -2.536
  503    QG2  THR  51           QG2      THR  51  -5.374  -9.730  -1.525
  504    H    VAL  52           HN       VAL  52  -4.665  -5.045  -0.285
  505    HA   VAL  52           HA       VAL  52  -7.113  -3.362  -0.085
  506    HB   VAL  52           HB       VAL  52  -5.421  -2.917   1.624
  507   1HG1  VAL  52           1HG      VAL  52  -3.474  -2.636  -0.687
  508   2HG1  VAL  52           2HG      VAL  52  -3.099  -2.281   0.992
  509   3HG1  VAL  52           3HG      VAL  52  -3.481  -3.926   0.511
  510   1HG2  VAL  52           2HG      VAL  52  -5.287  -0.803  -0.552
  511   2HG2  VAL  52           3HG      VAL  52  -6.431  -0.863   0.780
  512   3HG2  VAL  52           1HG      VAL  52  -4.735  -0.574   1.102
  513    QG1  VAL  52           QG1      VAL  52  -3.351  -2.947   0.272
  514    QG2  VAL  52           QG2      VAL  52  -5.484  -0.746   0.443
  515    QQG  VAL  52           QQG      VAL  52  -4.418  -1.847   0.358
  516    H    ASP  53           HN       ASP  53  -7.603  -1.876  -1.656
  517    HA   ASP  53           HA       ASP  53  -5.928  -1.983  -4.153
  518   1HB   ASP  53           2HB      ASP  53  -8.922  -1.515  -3.872
  519   2HB   ASP  53           3HB      ASP  53  -8.035  -1.280  -5.366
  520    QB   ASP  53           QB       ASP  53  -8.479  -1.398  -4.619
  521    H    PHE  54           HN       PHE  54  -4.746  -0.173  -4.172
  522    HA   PHE  54           HA       PHE  54  -6.121   2.384  -3.522
  523   1HB   PHE  54           2HB      PHE  54  -4.457   3.087  -2.029
  524   2HB   PHE  54           3HB      PHE  54  -4.517   1.372  -1.672
  525    HD1  PHE  54          2HD       PHE  54  -2.787  -0.157  -2.830
  526    HD2  PHE  54          1HD       PHE  54  -2.491   4.097  -2.855
  527    HE1  PHE  54          2HE       PHE  54  -0.395  -0.321  -3.348
  528    HE2  PHE  54          1HE       PHE  54  -0.103   3.918  -3.371
  529    HZ   PHE  54           HZ       PHE  54   0.959   1.712  -3.583
  530    QB   PHE  54           QB       PHE  54  -4.487   2.229  -1.850
  531    QR   PHE  54           QR       PHE  54  -1.444   1.885  -3.101
  532    NH1  ARG  55           NH2      ARG  55  -5.252  10.012  -7.155
  533    NH2  ARG  55           NH1      ARG  55  -7.097   9.550  -8.416
  534    H    ARG  55           HN       ARG  55  -4.647   4.257  -4.275
  535    HA   ARG  55           HA       ARG  55  -3.388   3.413  -6.851
  536   1HB   ARG  55           2HB      ARG  55  -4.472   5.204  -8.030
  537   2HB   ARG  55           3HB      ARG  55  -5.718   4.346  -7.145
  538   1HG   ARG  55           2HG      ARG  55  -5.559   6.070  -5.334
  539   2HG   ARG  55           3HG      ARG  55  -4.389   6.948  -6.312
  540   1HD   ARG  55           2HD      ARG  55  -6.136   6.969  -8.180
  541   2HD   ARG  55           3HD      ARG  55  -7.288   6.372  -6.987
  542    HE   ARG  55           HE       ARG  55  -6.829   8.481  -5.680
  543   1HH1  ARG  55           2HH      ARG  55  -4.693   9.791  -6.344
  544   2HH1  ARG  55           1HH      ARG  55  -4.961  10.749  -7.776
  545   1HH2  ARG  55           2HH      ARG  55  -7.902   8.985  -8.566
  546   2HH2  ARG  55           1HH      ARG  55  -6.874  10.286  -9.066
  547    QB   ARG  55           QB       ARG  55  -5.095   4.775  -7.587
  548    QG   ARG  55           QG       ARG  55  -4.974   6.509  -5.823
  549    QD   ARG  55           QD       ARG  55  -6.711   6.671  -7.584
  550    QH1  ARG  55           QH2      ARG  55  -4.827  10.270  -7.060
  551    QH2  ARG  55           QH1      ARG  55  -7.388   9.635  -8.816
  552    H    VAL  56           HN       VAL  56  -2.061   5.083  -7.818
  553    HA   VAL  56           HA       VAL  56  -0.554   6.622  -5.744
  554    HB   VAL  56           HB       VAL  56   0.556   5.351  -8.283
  555   1HG1  VAL  56           2HG      VAL  56   1.905   6.628  -5.882
  556   2HG1  VAL  56           3HG      VAL  56   2.756   5.831  -7.198
  557   3HG1  VAL  56           1HG      VAL  56   1.839   7.305  -7.500
  558   1HG2  VAL  56           3HG      VAL  56   0.755   4.408  -5.407
  559   2HG2  VAL  56           1HG      VAL  56  -0.136   3.597  -6.678
  560   3HG2  VAL  56           2HG      VAL  56   1.622   3.689  -6.761
  561    QG1  VAL  56           QG1      VAL  56   2.167   6.588  -6.860
  562    QG2  VAL  56           QG2      VAL  56   0.747   3.898  -6.282
  563    QQG  VAL  56           QQG      VAL  56   1.457   5.243  -6.571
  564    H    LYS  57           HN       LYS  57  -0.181   8.764  -6.230
  565    HA   LYS  57           HA       LYS  57  -1.401   9.780  -8.738
  566   1HB   LYS  57           2HB      LYS  57  -0.079  11.701  -6.891
  567   2HB   LYS  57           3HB      LYS  57  -1.637  11.815  -7.685
  568   1HG   LYS  57           2HG      LYS  57  -2.542  11.428  -5.644
  569   2HG   LYS  57           3HG      LYS  57  -2.084   9.752  -5.888
  570   1HD   LYS  57           2HD      LYS  57  -1.173  10.405  -3.752
  571   2HD   LYS  57           3HD      LYS  57   0.195  10.351  -4.860
  572   1HE   LYS  57           2HE      LYS  57   0.014  12.806  -5.198
  573   2HE   LYS  57           3HE      LYS  57  -1.357  12.855  -4.098
  574   1HZ   LYS  57           3HZ      LYS  57   0.769  11.536  -2.811
  575   2HZ   LYS  57           1HZ      LYS  57   1.372  12.975  -3.456
  576   3HZ   LYS  57           2HZ      LYS  57   0.031  13.014  -2.413
  577    QB   LYS  57           QB       LYS  57  -0.857  11.758  -7.288
  578    QG   LYS  57           QG       LYS  57  -2.313  10.591  -5.766
  579    QD   LYS  57           QD       LYS  57  -0.489  10.379  -4.306
  580    QE   LYS  57           QE       LYS  57  -0.672  12.830  -4.648
  581    QZ   LYS  57           QZ       LYS  57   0.724  12.508  -2.894
  582    H    ALA  58           HN       ALA  58  -0.006  11.688  -9.710
  583    HA   ALA  58           HA       ALA  58   2.525  10.458 -10.539
  584   1HB   ALA  58           1HB      ALA  58   1.030  11.568 -12.093
  585   2HB   ALA  58           2HB      ALA  58   1.273  13.094 -11.233
  586   3HB   ALA  58           3HB      ALA  58   2.625  12.324 -12.063
  587    QB   ALA  58           QB       ALA  58   1.642  12.329 -11.796
  588    H    GLU  59           HN       GLU  59   2.554  11.043  -8.052
  589    HA   GLU  59           HA       GLU  59   4.293  13.382  -7.440
  590   1HB   GLU  59           2HB      GLU  59   2.336  12.693  -5.933
  591   2HB   GLU  59           3HB      GLU  59   3.211  11.211  -5.576
  592   1HG   GLU  59           2HG      GLU  59   5.143  13.108  -5.064
  593   2HG   GLU  59           3HG      GLU  59   3.687  13.966  -4.581
  594    QB   GLU  59           QB       GLU  59   2.774  11.952  -5.754
  595    QG   GLU  59           QG       GLU  59   4.415  13.537  -4.822
  596    H    ASP  60           HN       ASP  60   5.443  11.834  -9.135
  597    HA   ASP  60           HA       ASP  60   7.338  10.590  -9.628
  598   1HB   ASP  60           2HB      ASP  60   8.352  11.972  -7.743
  599   2HB   ASP  60           3HB      ASP  60   7.948  10.646  -6.659
  600    QB   ASP  60           QB       ASP  60   8.151  11.308  -7.202
  601    H    ILE  61           HN       ILE  61   5.039   9.422  -9.472
  602    HA   ILE  61           HA       ILE  61   4.138   7.346  -8.083
  603    HB   ILE  61           HB       ILE  61   4.904   6.894 -10.986
  604   1HG1  ILE  61           2HG      ILE  61   2.495   8.358  -9.931
  605   2HG1  ILE  61           3HG      ILE  61   3.875   9.118 -10.709
  606   1HG2  ILE  61           2HG      ILE  61   3.918   4.967  -9.695
  607   2HG2  ILE  61           3HG      ILE  61   2.507   5.969  -9.358
  608   3HG2  ILE  61           1HG      ILE  61   2.878   5.498 -11.006
  609   1HD1  ILE  61           2HD      ILE  61   3.449   7.760 -12.751
  610   2HD1  ILE  61           3HD      ILE  61   2.024   7.079 -11.976
  611   3HD1  ILE  61           1HD      ILE  61   2.084   8.790 -12.345
  612    QG1  ILE  61           QG1      ILE  61   3.185   8.739 -10.320
  613    QG2  ILE  61           QG2      ILE  61   3.101   5.477 -10.020
  614    QD1  ILE  61           QD1      ILE  61   2.518   7.877 -12.358
  615    H    LEU  62           HN       LEU  62   7.056   7.068 -10.007
  616    HA   LEU  62           HA       LEU  62   7.588   4.329  -9.530
  617   1HB   LEU  62           2HB      LEU  62   8.827   6.494 -10.875
  618   2HB   LEU  62           3HB      LEU  62  10.048   5.824  -9.808
  619    HG   LEU  62           HG       LEU  62   8.349   4.184 -11.738
  620   1HD1  LEU  62           3HD      LEU  62  11.233   5.132 -11.971
  621   2HD1  LEU  62           1HD      LEU  62  10.417   4.047 -13.096
  622   3HD1  LEU  62           2HD      LEU  62   9.881   5.716 -12.937
  623   1HD2  LEU  62           1HD      LEU  62  10.818   3.483 -10.091
  624   2HD2  LEU  62           2HD      LEU  62   9.186   2.913  -9.776
  625   3HD2  LEU  62           3HD      LEU  62  10.022   2.411 -11.239
  626    QB   LEU  62           QB       LEU  62   9.438   6.160 -10.341
  627    QD1  LEU  62           QD1      LEU  62  10.510   4.965 -12.668
  628    QD2  LEU  62           QD2      LEU  62  10.009   2.936 -10.368
  629    QQD  LEU  62           QQD      LEU  62  10.259   3.950 -11.518
  630    H    ALA  63           HN       ALA  63   7.338   6.515  -7.149
  631    HA   ALA  63           HA       ALA  63   9.587   5.407  -5.553
  632   1HB   ALA  63           3HB      ALA  63   9.211   7.844  -5.563
  633   2HB   ALA  63           1HB      ALA  63   7.592   7.599  -4.911
  634   3HB   ALA  63           2HB      ALA  63   9.005   7.154  -3.947
  635    QB   ALA  63           QB       ALA  63   8.602   7.533  -4.807
  636    H    VAL  64           HN       VAL  64   6.204   5.197  -6.049
  637    HA   VAL  64           HA       VAL  64   5.698   3.798  -3.491
  638    HB   VAL  64           HB       VAL  64   3.866   4.306  -5.879
  639   1HG1  VAL  64           3HG      VAL  64   3.307   3.053  -3.158
  640   2HG1  VAL  64           1HG      VAL  64   2.081   3.453  -4.349
  641   3HG1  VAL  64           2HG      VAL  64   3.272   2.213  -4.707
  642   1HG2  VAL  64           2HG      VAL  64   3.975   5.534  -3.100
  643   2HG2  VAL  64           3HG      VAL  64   4.355   6.356  -4.607
  644   3HG2  VAL  64           1HG      VAL  64   2.704   5.840  -4.274
  645    QG1  VAL  64           QG1      VAL  64   2.886   2.906  -4.071
  646    QG2  VAL  64           QG2      VAL  64   3.678   5.910  -3.994
  647    QQG  VAL  64           QQG      VAL  64   3.282   4.408  -4.033
  648    H    GLU  65           HN       GLU  65   5.456   3.126  -7.004
  649    HA   GLU  65           HA       GLU  65   5.159   0.319  -6.856
  650   1HB   GLU  65           2HB      GLU  65   6.819   1.909  -8.869
  651   2HB   GLU  65           3HB      GLU  65   6.315   0.239  -9.083
  652   1HG   GLU  65           2HG      GLU  65   3.925   0.941  -8.967
  653   2HG   GLU  65           3HG      GLU  65   4.422   2.611  -8.770
  654    QB   GLU  65           QB       GLU  65   6.567   1.074  -8.976
  655    QG   GLU  65           QG       GLU  65   4.173   1.776  -8.869
  656    H    ASP  66           HN       ASP  66   7.933   2.389  -6.595
  657    HA   ASP  66           HA       ASP  66  10.060   0.544  -6.288
  658   1HB   ASP  66           2HB      ASP  66  10.590   2.836  -6.545
  659   2HB   ASP  66           3HB      ASP  66   9.441   3.351  -5.346
  660    QB   ASP  66           QB       ASP  66  10.016   3.094  -5.945
  661    H    PHE  67           HN       PHE  67   8.579   2.271  -3.536
  662    HA   PHE  67           HA       PHE  67   9.295   0.624  -1.409
  663   1HB   PHE  67           2HB      PHE  67   7.833   2.685  -1.310
  664   2HB   PHE  67           3HB      PHE  67   6.475   1.692  -1.818
  665    HD1  PHE  67          2HD       PHE  67   9.246   1.532   0.731
  666    HD2  PHE  67          1HD       PHE  67   5.125   0.844  -0.112
  667    HE1  PHE  67          2HE       PHE  67   8.850   0.964   3.090
  668    HE2  PHE  67          1HE       PHE  67   4.734   0.306   2.247
  669    HZ   PHE  67           HZ       PHE  67   6.590   0.366   3.854
  670    QB   PHE  67           QB       PHE  67   7.154   2.189  -1.564
  671    QR   PHE  67           QR       PHE  67   6.989   0.912   1.489
  672    H    LEU  68           HN       LEU  68   6.541   0.013  -3.546
  673    HA   LEU  68           HA       LEU  68   5.788  -2.438  -2.237
  674   1HB   LEU  68           2HB      LEU  68   5.349  -1.647  -5.134
  675   2HB   LEU  68           3HB      LEU  68   4.509  -2.938  -4.287
  676    HG   LEU  68           HG       LEU  68   4.402   0.025  -3.578
  677   1HD1  LEU  68           3HD      LEU  68   2.317  -1.874  -4.708
  678   2HD1  LEU  68           1HD      LEU  68   2.026  -0.199  -4.252
  679   3HD1  LEU  68           2HD      LEU  68   3.105  -0.570  -5.589
  680   1HD2  LEU  68           3HD      LEU  68   2.986  -2.356  -2.306
  681   2HD2  LEU  68           1HD      LEU  68   4.258  -1.399  -1.551
  682   3HD2  LEU  68           2HD      LEU  68   2.704  -0.664  -1.902
  683    QB   LEU  68           QB       LEU  68   4.929  -2.292  -4.710
  684    QD1  LEU  68           QD1      LEU  68   2.483  -0.881  -4.850
  685    QD2  LEU  68           QD2      LEU  68   3.316  -1.473  -1.920
  686    QQD  LEU  68           QQD      LEU  68   2.900  -1.177  -3.385
  687    H    GLU  69           HN       GLU  69   8.033  -1.714  -4.824
  688    HA   GLU  69           HA       GLU  69   8.658  -4.558  -5.263
  689   1HB   GLU  69           2HB      GLU  69   8.738  -2.995  -7.166
  690   2HB   GLU  69           3HB      GLU  69   9.871  -1.977  -6.322
  691   1HG   GLU  69           2HG      GLU  69  10.667  -4.843  -6.625
  692   2HG   GLU  69           3HG      GLU  69  10.641  -3.891  -8.098
  693    QB   GLU  69           QB       GLU  69   9.305  -2.485  -6.744
  694    QG   GLU  69           QG       GLU  69  10.655  -4.367  -7.362
  695    H    GLN  70           HN       GLN  70  10.725  -1.812  -4.597
  696    HA   GLN  70           HA       GLN  70  13.001  -2.698  -3.598
  697   1HB   GLN  70           2HB      GLN  70  12.094  -0.316  -3.483
  698   2HB   GLN  70           3HB      GLN  70  11.358  -0.745  -1.942
  699   1HG   GLN  70           2HG      GLN  70  13.566  -1.318  -1.025
  700   2HG   GLN  70           3HG      GLN  70  14.322  -0.978  -2.573
  701   1HE2  GLN  70           2HE      GLN  70  13.198   2.638  -1.927
  702   2HE2  GLN  70           1HE      GLN  70  12.498   1.481  -2.938
  703    QB   GLN  70           QB       GLN  70  11.725  -0.530  -2.712
  704    QG   GLN  70           QG       GLN  70  13.944  -1.148  -1.798
  705    QE2  GLN  70           QE2      GLN  70  12.849   2.059  -2.432
  706    H    ASN  71           HN       ASN  71  10.121  -2.596  -1.495
  707    HA   ASN  71           HA       ASN  71  11.329  -4.802   0.093
  708   1HB   ASN  71           2HB      ASN  71   9.619  -3.818   1.871
  709   2HB   ASN  71           3HB      ASN  71  11.232  -3.151   1.689
  710   1HD2  ASN  71           2HD      ASN  71   8.041  -0.876   0.891
  711   2HD2  ASN  71           1HD      ASN  71   7.872  -2.469   1.405
  712    QB   ASN  71           QB       ASN  71  10.426  -3.485   1.780
  713    QD2  ASN  71           QD2      ASN  71   7.956  -1.673   1.148
  714    H    GLU  72           HN       GLU  72  10.098  -5.625  -2.008
  715    HA   GLU  72           HA       GLU  72   7.879  -6.270  -2.866
  716   1HB   GLU  72           2HB      GLU  72   9.587  -8.030  -2.832
  717   2HB   GLU  72           3HB      GLU  72   9.136  -8.443  -1.183
  718   1HG   GLU  72           2HG      GLU  72   8.089  -9.900  -3.033
  719   2HG   GLU  72           3HG      GLU  72   6.960  -9.217  -1.873
  720    QB   GLU  72           QB       GLU  72   9.362  -8.237  -2.007
  721    QG   GLU  72           QG       GLU  72   7.525  -9.558  -2.453
  722    H    LEU  73           HN       LEU  73   6.594  -4.874  -1.595
  723    HA   LEU  73           HA       LEU  73   5.338  -5.978   0.782
  724   1HB   LEU  73           2HB      LEU  73   5.804  -3.500   0.269
  725   2HB   LEU  73           3HB      LEU  73   4.446  -3.580  -0.842
  726    HG   LEU  73           HG       LEU  73   2.969  -4.297   0.994
  727   1HD1  LEU  73           1HD      LEU  73   5.475  -3.945   2.692
  728   2HD1  LEU  73           2HD      LEU  73   3.854  -4.088   3.359
  729   3HD1  LEU  73           3HD      LEU  73   4.558  -5.433   2.475
  730   1HD2  LEU  73           2HD      LEU  73   3.225  -1.879   0.495
  731   2HD2  LEU  73           3HD      LEU  73   2.965  -2.124   2.220
  732   3HD2  LEU  73           1HD      LEU  73   4.585  -1.792   1.612
  733    QB   LEU  73           QB       LEU  73   5.125  -3.539  -0.286
  734    QD1  LEU  73           QD1      LEU  73   4.629  -4.489   2.842
  735    QD2  LEU  73           QD2      LEU  73   3.591  -1.931   1.442
  736    QQD  LEU  73           QQD      LEU  73   4.110  -3.210   2.142
  737    H    GLN  74           HN       GLN  74   4.930  -7.890  -0.495
  738    HA   GLN  74           HA       GLN  74   3.604  -9.213  -2.041
  739   1HB   GLN  74           2HB      GLN  74   1.601  -8.413   0.100
  740   2HB   GLN  74           3HB      GLN  74   1.777  -9.978  -0.677
  741   1HG   GLN  74           2HG      GLN  74   4.105 -10.107   0.405
  742   2HG   GLN  74           3HG      GLN  74   3.633  -8.700   1.358
  743   1HE2  GLN  74           2HE      GLN  74   2.077 -10.910   3.675
  744   2HE2  GLN  74           1HE      GLN  74   3.018  -9.503   3.464
  745    QB   GLN  74           QB       GLN  74   1.690  -9.195  -0.289
  746    QG   GLN  74           QG       GLN  74   3.869  -9.404   0.882
  747    QE2  GLN  74           QE2      GLN  74   2.548 -10.207   3.570
  748    OH   TYR  75           OH       TYR  75   6.179  -5.528  -8.639
  749    H    TYR  75           HN       TYR  75   3.524  -7.293  -3.717
  750    HA   TYR  75           HA       TYR  75   0.706  -6.294  -3.837
  751   1HB   TYR  75           2HB      TYR  75   1.471  -4.325  -4.905
  752   2HB   TYR  75           3HB      TYR  75   2.686  -4.644  -3.670
  753    HD1  TYR  75           HD1      TYR  75   4.865  -5.700  -4.311
  754    HD2  TYR  75           HD2      TYR  75   2.018  -4.492  -7.250
  755    HE1  TYR  75           HE1      TYR  75   6.551  -5.982  -6.063
  756    HE2  TYR  75           HE2      TYR  75   3.708  -4.772  -8.995
  757    HH   TYR  75           HH       TYR  75   7.045  -5.466  -8.222
  758    QB   TYR  75           QB       TYR  75   2.078  -4.484  -4.288
  759    QR   TYR  75           QR       TYR  75   4.285  -5.237  -6.655
  760    H    GLU  76           HN       GLU  76  -0.162  -5.823  -5.867
  761    HA   GLU  76           HA       GLU  76   0.592  -7.635  -8.109
  762   1HB   GLU  76           2HB      GLU  76  -1.183  -8.781  -6.927
  763   2HB   GLU  76           3HB      GLU  76  -2.077  -7.287  -6.697
  764   1HG   GLU  76           2HG      GLU  76  -2.069  -7.296  -9.387
  765   2HG   GLU  76           3HG      GLU  76  -1.871  -9.021  -9.136
  766    QB   GLU  76           QB       GLU  76  -1.630  -8.034  -6.812
  767    QG   GLU  76           QG       GLU  76  -1.970  -8.158  -9.262
  768    H    VAL  77           HN       VAL  77   0.185  -6.688 -10.128
  769    HA   VAL  77           HA       VAL  77  -0.530  -3.797 -10.076
  770    HB   VAL  77           HB       VAL  77   0.540  -5.384 -12.440
  771   1HG1  VAL  77           3HG      VAL  77  -0.384  -3.135 -12.920
  772   2HG1  VAL  77           1HG      VAL  77   0.683  -2.437 -11.704
  773   3HG1  VAL  77           2HG      VAL  77   1.362  -3.161 -13.158
  774   1HG2  VAL  77           2HG      VAL  77   2.134  -3.941 -10.285
  775   2HG2  VAL  77           3HG      VAL  77   2.098  -5.683 -10.537
  776   3HG2  VAL  77           1HG      VAL  77   2.809  -4.632 -11.757
  777    QG1  VAL  77           QG1      VAL  77   0.553  -2.911 -12.594
  778    QG2  VAL  77           QG2      VAL  77   2.347  -4.752 -10.859
  779    QQG  VAL  77           QQG      VAL  77   1.450  -3.832 -11.727
  780    H    LEU  78           HN       LEU  78  -2.656  -5.086  -9.540
  781    HA   LEU  78           HA       LEU  78  -4.740  -6.003 -10.221
  782   1HB   LEU  78           2HB      LEU  78  -4.460  -3.410 -11.740
  783   2HB   LEU  78           3HB      LEU  78  -5.977  -4.277 -11.568
  784    HG   LEU  78           HG       LEU  78  -4.293  -3.378  -9.199
  785   1HD1  LEU  78           1HD      LEU  78  -6.757  -2.091 -10.430
  786   2HD1  LEU  78           2HD      LEU  78  -5.976  -1.583  -8.938
  787   3HD1  LEU  78           3HD      LEU  78  -5.125  -1.427 -10.472
  788   1HD2  LEU  78           2HD      LEU  78  -7.156  -4.379  -9.453
  789   2HD2  LEU  78           3HD      LEU  78  -5.819  -5.248  -8.713
  790   3HD2  LEU  78           1HD      LEU  78  -6.428  -3.779  -7.964
  791    QB   LEU  78           QB       LEU  78  -5.218  -3.843 -11.654
  792    QD1  LEU  78           QD1      LEU  78  -5.953  -1.700  -9.947
  793    QD2  LEU  78           QD2      LEU  78  -6.467  -4.469  -8.710
  794    QQD  LEU  78           QQD      LEU  78  -6.210  -3.085  -9.328
  795    H    ILE  79           HN       ILE  79  -3.884  -7.866 -11.342
  796    HA   ILE  79           HA       ILE  79  -3.420  -7.833 -14.170
  797    HB   ILE  79           HB       ILE  79  -3.712 -10.364 -13.807
  798   1HG1  ILE  79           2HG      ILE  79  -3.640  -9.643 -10.881
  799   2HG1  ILE  79           3HG      ILE  79  -5.161  -9.957 -11.704
  800   1HG2  ILE  79           2HG      ILE  79  -1.518  -9.208 -13.813
  801   2HG2  ILE  79           3HG      ILE  79  -1.710  -8.858 -12.097
  802   3HG2  ILE  79           1HG      ILE  79  -1.531 -10.522 -12.644
  803   1HD1  ILE  79           2HD      ILE  79  -4.312 -12.193 -12.376
  804   2HD1  ILE  79           3HD      ILE  79  -2.806 -11.869 -11.521
  805   3HD1  ILE  79           1HD      ILE  79  -4.316 -12.000 -10.627
  806    QG1  ILE  79           QG1      ILE  79  -4.400  -9.800 -11.293
  807    QG2  ILE  79           QG2      ILE  79  -1.586  -9.529 -12.851
  808    QD1  ILE  79           QD1      ILE  79  -3.811 -12.020 -11.508
  809    H    ASN  80           HN       ASN  80  -5.371  -6.546 -14.611
  810    HA   ASN  80           HA       ASN  80  -7.233  -6.657 -16.132
  811   1HB   ASN  80           2HB      ASN  80  -8.039  -9.219 -14.700
  812   2HB   ASN  80           3HB      ASN  80  -8.936  -8.443 -15.988
  813   1HD2  ASN  80           2HD      ASN  80  -5.932 -10.860 -16.992
  814   2HD2  ASN  80           1HD      ASN  80  -6.499 -10.727 -15.392
  815    QB   ASN  80           QB       ASN  80  -8.488  -8.831 -15.343
  816    QD2  ASN  80           QD2      ASN  80  -6.215 -10.794 -16.192
  817    H    ASN  81           HN       ASN  81  -7.810  -7.800 -12.841
  818    HA   ASN  81           HA       ASN  81  -9.118  -5.351 -12.057
  819   1HB   ASN  81           2HB      ASN  81 -10.949  -6.450 -13.397
  820   2HB   ASN  81           3HB      ASN  81 -10.878  -7.825 -12.305
  821   1HD2  ASN  81                 ASN  81 -11.817  -4.877  -9.822
  822   2HD2  ASN  81           1HD      ASN  81 -10.237  -5.301 -10.269
  823    QB   ASN  81           QB       ASN  81 -10.914  -7.138 -12.851
  824    QD2  ASN  81           QD2      ASN  81 -11.027  -5.088 -10.045
   
  Start of MODEL          19
 Raw file had 824 H/Q atoms
  Start of MODEL   19
    1   1H    HIS   1           HN2      HIS   1  15.082   7.306 -18.918
    2   2H    HIS   1           HN3      HIS   1  13.550   7.339 -19.543
    3   3H    HIS   1           HN1      HIS   1  13.928   6.269 -18.338
    4    HA   HIS   1           HA       HIS   1  14.461   4.748 -19.810
    5   1HB   HIS   1           2HB      HIS   1  14.297   6.825 -21.980
    6   2HB   HIS   1           3HB      HIS   1  14.032   5.106 -22.115
    7    HD1  HIS   1           HD1      HIS   1  12.115   4.779 -19.747
    8    HD2  HIS   1           HD2      HIS   1  11.668   7.744 -22.589
    9    HE1  HIS   1           HE1      HIS   1   9.693   5.463 -19.711
   10    QB   HIS   1           QB       HIS   1  14.164   5.965 -22.047
   11    H    HIS   2           HN       HIS   2  16.514   4.439 -19.086
   12    HA   HIS   2           HA       HIS   2  18.815   4.094 -19.532
   13   1HB   HIS   2           2HB      HIS   2  18.258   4.585 -21.970
   14   2HB   HIS   2           3HB      HIS   2  18.671   6.248 -21.646
   15    HD1  HIS   2           HD1      HIS   2  21.119   6.058 -20.070
   16    HD2  HIS   2           HD2      HIS   2  20.526   3.516 -23.257
   17    HE1  HIS   2           HE1      HIS   2  23.405   5.344 -20.858
   18    QB   HIS   2           QB       HIS   2  18.464   5.416 -21.807
   19    H    SER   3           HN       SER   3  17.721   7.450 -19.685
   20    HA   SER   3           HA       SER   3  20.002   8.225 -17.904
   21   1HB   SER   3           2HB      SER   3  18.067  10.040 -19.411
   22   2HB   SER   3           3HB      SER   3  19.615  10.498 -18.671
   23    HG   SER   3           HG       SER   3  20.479   9.878 -20.492
   24    QB   SER   3           QB       SER   3  18.841  10.269 -19.041
   25    H    GLY   4           HN       GLY   4  17.806   6.726 -16.987
   26   1HA   GLY   4           1HA      GLY   4  16.849   6.867 -14.750
   27   2HA   GLY   4           2HA      GLY   4  16.660   8.611 -14.976
   28    QA   GLY   4           QA       GLY   4  16.754   7.740 -14.863
   29    H    GLU   5           HN       GLU   5  14.617   6.548 -14.329
   30    HA   GLU   5           HA       GLU   5  12.898   6.707 -16.754
   31   1HB   GLU   5           2HB      GLU   5  12.464   5.125 -14.197
   32   2HB   GLU   5           3HB      GLU   5  11.535   4.985 -15.683
   33   1HG   GLU   5           2HG      GLU   5  14.438   4.204 -15.236
   34   2HG   GLU   5           3HG      GLU   5  13.109   3.173 -15.760
   35    QB   GLU   5           QB       GLU   5  12.000   5.055 -14.939
   36    QG   GLU   5           QG       GLU   5  13.774   3.688 -15.498
   37    H    HIS   6           HN       HIS   6  13.261   9.043 -15.808
   38    HA   HIS   6           HA       HIS   6  11.261   9.776 -13.777
   39   1HB   HIS   6           2HB      HIS   6  12.871  11.609 -15.568
   40   2HB   HIS   6           3HB      HIS   6  12.116  12.012 -14.052
   41    HD1  HIS   6           HD1      HIS   6  14.874  12.703 -14.066
   42    HD2  HIS   6           HD2      HIS   6  13.845   8.839 -13.100
   43    HE1  HIS   6           HE1      HIS   6  16.834  11.731 -12.822
   44    QB   HIS   6           QB       HIS   6  12.493  11.810 -14.810
   45    H    PHE   7           HN       PHE   7   9.950   8.487 -15.636
   46    HA   PHE   7           HA       PHE   7   8.392  10.589 -17.049
   47   1HB   PHE   7           2HB      PHE   7  10.051   9.596 -18.679
   48   2HB   PHE   7           3HB      PHE   7   9.322   8.019 -18.397
   49    HD1  PHE   7          1HD       PHE   7   8.352  11.514 -19.384
   50    HD2  PHE   7          2HD       PHE   7   7.512   7.352 -19.740
   51    HE1  PHE   7          1HE       PHE   7   6.611  12.004 -21.049
   52    HE2  PHE   7          2HE       PHE   7   5.782   7.845 -21.408
   53    HZ   PHE   7           HZ       PHE   7   5.318  10.170 -22.054
   54    QB   PHE   7           QB       PHE   7   9.686   8.808 -18.538
   55    QR   PHE   7           QR       PHE   7   7.064   9.679 -20.395
   56    H    GLU   8           HN       GLU   8   7.117  10.016 -15.076
   57    HA   GLU   8           HA       GLU   8   5.519   7.519 -15.519
   58   1HB   GLU   8           2HB      GLU   8   6.999   8.302 -13.221
   59   2HB   GLU   8           3HB      GLU   8   5.312   8.529 -12.797
   60   1HG   GLU   8           2HG      GLU   8   6.439   5.970 -13.993
   61   2HG   GLU   8           3HG      GLU   8   6.152   6.219 -12.276
   62    QB   GLU   8           QB       GLU   8   6.155   8.415 -13.009
   63    QG   GLU   8           QG       GLU   8   6.295   6.093 -13.135
   64    H    GLY   9           HN       GLY   9   3.313   7.620 -14.808
   65   1HA   GLY   9           1HA      GLY   9   2.109  10.365 -14.810
   66   2HA   GLY   9           2HA      GLY   9   1.435   9.063 -15.795
   67    QA   GLY   9           QA       GLY   9   1.772   9.714 -15.303
   68    H    GLU  10           HN       GLU  10  -0.308   8.148 -14.861
   69    HA   GLU  10           HA       GLU  10  -0.313   7.725 -11.900
   70   1HB   GLU  10           2HB      GLU  10  -1.799   9.623 -12.312
   71   2HB   GLU  10           3HB      GLU  10  -2.588   8.777 -13.634
   72   1HG   GLU  10           2HG      GLU  10  -3.728   7.302 -12.186
   73   2HG   GLU  10           3HG      GLU  10  -2.609   7.579 -10.860
   74    QB   GLU  10           QB       GLU  10  -2.193   9.200 -12.973
   75    QG   GLU  10           QG       GLU  10  -3.168   7.440 -11.523
   76    H    LYS  11           HN       LYS  11  -1.586   5.872 -11.242
   77    HA   LYS  11           HA       LYS  11  -2.848   4.120 -13.140
   78   1HB   LYS  11           2HB      LYS  11  -1.267   2.267 -13.185
   79   2HB   LYS  11           3HB      LYS  11  -0.486   3.702 -13.818
   80   1HG   LYS  11           2HG      LYS  11   0.692   4.050 -11.694
   81   2HG   LYS  11           3HG      LYS  11  -0.191   2.716 -10.954
   82   1HD   LYS  11           2HD      LYS  11   1.809   1.651 -11.574
   83   2HD   LYS  11           3HD      LYS  11   0.781   1.293 -12.946
   84   1HE   LYS  11           2HE      LYS  11   2.577   2.099 -14.123
   85   2HE   LYS  11           3HE      LYS  11   1.801   3.643 -13.810
   86   1HZ   LYS  11           3HZ      LYS  11   3.491   2.905 -11.621
   87   2HZ   LYS  11           1HZ      LYS  11   4.358   2.900 -13.072
   88   3HZ   LYS  11           2HZ      LYS  11   3.512   4.289 -12.602
   89    QB   LYS  11           QB       LYS  11  -0.877   2.985 -13.501
   90    QG   LYS  11           QG       LYS  11   0.251   3.383 -11.324
   91    QD   LYS  11           QD       LYS  11   1.295   1.473 -12.261
   92    QE   LYS  11           QE       LYS  11   2.188   2.871 -13.966
   93    QZ   LYS  11           QZ       LYS  11   3.787   3.365 -12.431
   94    H    VAL  12           HN       VAL  12  -3.244   1.859 -12.006
   95    HA   VAL  12           HA       VAL  12  -3.720   2.467  -9.108
   96    HB   VAL  12           HB       VAL  12  -5.297   0.549 -10.841
   97   1HG1  VAL  12           1HG      VAL  12  -5.805   1.766  -8.095
   98   2HG1  VAL  12           2HG      VAL  12  -6.973   0.777  -8.963
   99   3HG1  VAL  12           3HG      VAL  12  -5.448   0.076  -8.428
  100   1HG2  VAL  12           3HG      VAL  12  -5.558   2.874 -11.678
  101   2HG2  VAL  12           1HG      VAL  12  -7.045   2.293 -10.939
  102   3HG2  VAL  12           2HG      VAL  12  -6.001   3.402 -10.061
  103    QG1  VAL  12           QG1      VAL  12  -6.075   0.873  -8.496
  104    QG2  VAL  12           QG2      VAL  12  -6.201   2.857 -10.893
  105    QQG  VAL  12           QQG      VAL  12  -6.138   1.865  -9.693
  106    H    PHE  13           HN       PHE  13  -3.117   1.096  -7.626
  107    HA   PHE  13           HA       PHE  13  -1.771  -1.448  -8.433
  108   1HB   PHE  13           2HB      PHE  13  -1.131   0.354  -6.058
  109   2HB   PHE  13           3HB      PHE  13  -0.317  -1.152  -6.445
  110    HD1  PHE  13          1HD       PHE  13  -0.925   2.300  -7.750
  111    HD2  PHE  13          2HD       PHE  13   1.536  -1.177  -7.927
  112    HE1  PHE  13          1HE       PHE  13   0.769   3.564  -8.997
  113    HE2  PHE  13          2HE       PHE  13   3.245   0.109  -9.147
  114    HZ   PHE  13           HZ       PHE  13   2.873   2.477  -9.651
  115    QB   PHE  13           QB       PHE  13  -0.724  -0.400  -6.251
  116    QR   PHE  13           QR       PHE  13   1.156   1.198  -8.456
  117    NH1  ARG  14           NH1      ARG  14  -5.409  -7.300  -5.102
  118    NH2  ARG  14           NH2      ARG  14  -7.658  -7.638  -5.437
  119    H    ARG  14           HN       ARG  14  -1.758  -2.948  -6.477
  120    HA   ARG  14           HA       ARG  14  -4.106  -2.548  -4.726
  121   1HB   ARG  14           2HB      ARG  14  -3.592  -4.792  -6.669
  122   2HB   ARG  14           3HB      ARG  14  -4.459  -5.098  -5.181
  123   1HG   ARG  14           2HG      ARG  14  -5.603  -2.739  -6.288
  124   2HG   ARG  14           3HG      ARG  14  -5.420  -3.873  -7.616
  125   1HD   ARG  14           2HD      ARG  14  -6.704  -4.590  -4.950
  126   2HD   ARG  14           3HD      ARG  14  -7.611  -4.137  -6.390
  127    HE   ARG  14           HE       ARG  14  -6.527  -6.150  -7.519
  128   1HH1  ARG  14           2HH      ARG  14  -4.554  -6.836  -5.380
  129   2HH1  ARG  14           1HH      ARG  14  -5.364  -7.999  -4.383
  130   1HH2  ARG  14           2HH      ARG  14  -8.514  -7.355  -5.895
  131   2HH2  ARG  14           1HH      ARG  14  -7.676  -8.399  -4.796
  132    QB   ARG  14           QB       ARG  14  -4.026  -4.946  -5.925
  133    QG   ARG  14           QG       ARG  14  -5.511  -3.306  -6.952
  134    QD   ARG  14           QD       ARG  14  -7.157  -4.363  -5.670
  135    QH1  ARG  14           QH1      ARG  14  -4.959  -7.418  -4.881
  136    QH2  ARG  14           QH2      ARG  14  -8.095  -7.877  -5.346
  137    H    VAL  15           HN       VAL  15  -3.999  -4.374  -2.961
  138    HA   VAL  15           HA       VAL  15  -1.186  -5.187  -2.459
  139    HB   VAL  15           HB       VAL  15  -2.895  -3.592  -0.505
  140   1HG1  VAL  15           1HG      VAL  15  -0.050  -4.638  -0.288
  141   2HG1  VAL  15           2HG      VAL  15  -0.820  -3.571   0.878
  142   3HG1  VAL  15           3HG      VAL  15  -1.435  -5.198   0.638
  143   1HG2  VAL  15           3HG      VAL  15  -0.427  -2.822  -2.094
  144   2HG2  VAL  15           1HG      VAL  15  -2.046  -2.156  -2.293
  145   3HG2  VAL  15           2HG      VAL  15  -1.138  -1.836  -0.818
  146    QG1  VAL  15           QG1      VAL  15  -0.769  -4.469   0.410
  147    QG2  VAL  15           QG2      VAL  15  -1.203  -2.272  -1.735
  148    QQG  VAL  15           QQG      VAL  15  -0.987  -3.370  -0.663
  149    H    ASN  16           HN       ASN  16  -1.005  -6.986  -1.052
  150    HA   ASN  16           HA       ASN  16  -3.626  -8.203  -0.232
  151   1HB   ASN  16           2HB      ASN  16  -1.742  -9.293  -2.049
  152   2HB   ASN  16           3HB      ASN  16  -1.490 -10.170  -0.540
  153   1HD2  ASN  16           2HD      ASN  16  -4.534 -11.940  -0.808
  154   2HD2  ASN  16           1HD      ASN  16  -3.110 -11.685   0.077
  155    QB   ASN  16           QB       ASN  16  -1.616  -9.731  -1.294
  156    QD2  ASN  16           QD2      ASN  16  -3.822 -11.813  -0.366
  157    H    VAL  17           HN       VAL  17  -3.690  -7.911   1.902
  158    HA   VAL  17           HA       VAL  17  -1.249  -7.513   3.426
  159    HB   VAL  17           HB       VAL  17  -4.126  -7.778   4.359
  160   1HG1  VAL  17           3HG      VAL  17  -1.637  -6.598   5.632
  161   2HG1  VAL  17           1HG      VAL  17  -3.254  -6.529   6.324
  162   3HG1  VAL  17           2HG      VAL  17  -2.437  -8.073   6.151
  163   1HG2  VAL  17           3HG      VAL  17  -3.672  -5.949   2.660
  164   2HG2  VAL  17           1HG      VAL  17  -4.133  -5.330   4.231
  165   3HG2  VAL  17           2HG      VAL  17  -2.441  -5.306   3.740
  166    QG1  VAL  17           QG1      VAL  17  -2.443  -7.067   6.035
  167    QG2  VAL  17           QG2      VAL  17  -3.415  -5.529   3.544
  168    QQG  VAL  17           QQG      VAL  17  -2.929  -6.298   4.790
  169    H    GLU  18           HN       GLU  18  -0.286  -9.466   2.874
  170    HA   GLU  18           HA       GLU  18  -1.290 -12.008   3.749
  171   1HB   GLU  18           2HB      GLU  18   1.586 -11.115   3.281
  172   2HB   GLU  18           3HB      GLU  18   1.011 -12.771   3.304
  173   1HG   GLU  18           2HG      GLU  18   0.274 -10.636   1.273
  174   2HG   GLU  18           3HG      GLU  18   1.240 -12.073   0.982
  175    QB   GLU  18           QB       GLU  18   1.299 -11.943   3.293
  176    QG   GLU  18           QG       GLU  18   0.757 -11.355   1.127
  177    H    ASP  19           HN       ASP  19   0.931  -9.630   5.113
  178    HA   ASP  19           HA       ASP  19   0.556 -10.890   7.789
  179   1HB   ASP  19           2HB      ASP  19   2.927 -10.821   8.217
  180   2HB   ASP  19           3HB      ASP  19   2.729 -11.581   6.654
  181    QB   ASP  19           QB       ASP  19   2.828 -11.201   7.436
  182    H    GLU  20           HN       GLU  20   2.254  -9.365   9.192
  183    HA   GLU  20           HA       GLU  20   0.775  -6.859   9.438
  184   1HB   GLU  20           2HB      GLU  20   2.790  -8.357  11.050
  185   2HB   GLU  20           3HB      GLU  20   2.784  -6.616  11.248
  186   1HG   GLU  20           2HG      GLU  20   1.231  -7.283  12.874
  187   2HG   GLU  20           3HG      GLU  20   0.185  -6.900  11.521
  188    QB   GLU  20           QB       GLU  20   2.787  -7.486  11.149
  189    QG   GLU  20           QG       GLU  20   0.708  -7.092  12.197
  190    H    ASN  21           HN       ASN  21   4.010  -7.811   8.343
  191    HA   ASN  21           HA       ASN  21   5.300  -5.301   8.347
  192   1HB   ASN  21           2HB      ASN  21   6.317  -7.489   7.538
  193   2HB   ASN  21           3HB      ASN  21   5.444  -7.265   6.026
  194   1HD2  ASN  21           2HD      ASN  21   7.906  -5.074   4.771
  195   2HD2  ASN  21           1HD      ASN  21   6.652  -6.181   4.447
  196    QB   ASN  21           QB       ASN  21   5.881  -7.377   6.782
  197    QD2  ASN  21           QD2      ASN  21   7.280  -5.628   4.609
  198    H    ASP  22           HN       ASP  22   3.129  -6.684   5.926
  199    HA   ASP  22           HA       ASP  22   3.085  -4.496   4.136
  200   1HB   ASP  22           2HB      ASP  22   2.089  -6.847   3.861
  201   2HB   ASP  22           3HB      ASP  22   0.705  -6.282   4.780
  202    QB   ASP  22           QB       ASP  22   1.396  -6.564   4.320
  203    H    ILE  23           HN       ILE  23   0.859  -5.152   6.817
  204    HA   ILE  23           HA       ILE  23  -0.759  -2.814   6.486
  205    HB   ILE  23           HB       ILE  23  -0.078  -4.235   9.091
  206   1HG1  ILE  23           2HG      ILE  23  -2.287  -4.841   7.089
  207   2HG1  ILE  23           3HG      ILE  23  -0.799  -5.763   7.220
  208   1HG2  ILE  23           1HG      ILE  23  -1.320  -2.094   9.326
  209   2HG2  ILE  23           2HG      ILE  23  -2.531  -2.671   8.188
  210   3HG2  ILE  23           3HG      ILE  23  -2.343  -3.457   9.750
  211   1HD1  ILE  23           2HD      ILE  23  -1.328  -6.325   9.563
  212   2HD1  ILE  23           3HD      ILE  23  -2.839  -5.424   9.443
  213   3HD1  ILE  23           1HD      ILE  23  -2.588  -6.869   8.471
  214    QG1  ILE  23           QG1      ILE  23  -1.542  -5.301   7.155
  215    QG2  ILE  23           QG2      ILE  23  -2.065  -2.740   9.088
  216    QD1  ILE  23           QD1      ILE  23  -2.252  -6.206   9.160
  217    H    SER  24           HN       SER  24   2.046  -3.428   8.500
  218    HA   SER  24           HA       SER  24   2.261  -0.809   9.632
  219   1HB   SER  24           2HB      SER  24   4.499  -2.835   9.141
  220   2HB   SER  24           3HB      SER  24   4.453  -1.571  10.391
  221    HG   SER  24           HG       SER  24   3.031  -3.981  10.215
  222    QB   SER  24           QB       SER  24   4.475  -2.203   9.766
  223    H    GLU  25           HN       GLU  25   4.450  -2.273   7.201
  224    HA   GLU  25           HA       GLU  25   5.780  -0.062   6.242
  225   1HB   GLU  25           2HB      GLU  25   4.614  -2.445   4.778
  226   2HB   GLU  25           3HB      GLU  25   5.461  -1.206   3.878
  227   1HG   GLU  25           2HG      GLU  25   7.271  -1.608   5.868
  228   2HG   GLU  25           3HG      GLU  25   6.521  -3.195   5.855
  229    QB   GLU  25           QB       GLU  25   5.038  -1.825   4.328
  230    QG   GLU  25           QG       GLU  25   6.896  -2.402   5.861
  231    H    LEU  26           HN       LEU  26   2.483  -1.018   5.305
  232    HA   LEU  26           HA       LEU  26   2.036   1.051   3.441
  233   1HB   LEU  26           2HB      LEU  26   0.592  -0.893   3.567
  234   2HB   LEU  26           3HB      LEU  26   0.220  -0.574   5.256
  235    HG   LEU  26           HG       LEU  26  -0.844   1.512   4.633
  236   1HD1  LEU  26           2HD      LEU  26  -0.235   0.635   1.791
  237   2HD1  LEU  26           3HD      LEU  26  -1.319   1.957   2.201
  238   3HD1  LEU  26           1HD      LEU  26   0.388   2.074   2.593
  239   1HD2  LEU  26           1HD      LEU  26  -2.194  -0.568   4.757
  240   2HD2  LEU  26           2HD      LEU  26  -2.842   0.510   3.526
  241   3HD2  LEU  26           3HD      LEU  26  -1.866  -0.877   3.059
  242    QB   LEU  26           QB       LEU  26   0.406  -0.734   4.412
  243    QD1  LEU  26           QD1      LEU  26  -0.389   1.555   2.195
  244    QD2  LEU  26           QD2      LEU  26  -2.301  -0.311   3.780
  245    QQD  LEU  26           QQD      LEU  26  -1.345   0.622   2.988
  246    H    HIS  27           HN       HIS  27   1.302   0.776   6.926
  247    HA   HIS  27           HA       HIS  27   0.223   3.368   7.343
  248   1HB   HIS  27           2HB      HIS  27   1.697   1.427   9.063
  249   2HB   HIS  27           3HB      HIS  27   1.576   3.060   9.647
  250    HD1  HIS  27           HD1      HIS  27  -0.877   3.954   9.839
  251    HD2  HIS  27           HD2      HIS  27  -0.661  -0.108   9.420
  252    HE1  HIS  27           HE1      HIS  27  -3.121   3.056  10.561
  253    QB   HIS  27           QB       HIS  27   1.636   2.244   9.355
  254    H    GLU  28           HN       GLU  28   3.669   2.378   7.728
  255    HA   GLU  28           HA       GLU  28   4.831   4.751   8.192
  256   1HB   GLU  28           2HB      GLU  28   5.738   2.505   6.357
  257   2HB   GLU  28           3HB      GLU  28   6.698   3.554   7.301
  258   1HG   GLU  28           2HG      GLU  28   5.073   1.291   8.289
  259   2HG   GLU  28           3HG      GLU  28   6.751   1.645   8.609
  260    QB   GLU  28           QB       GLU  28   6.218   3.030   6.829
  261    QG   GLU  28           QG       GLU  28   5.912   1.467   8.449
  262    H    LEU  29           HN       LEU  29   3.854   3.351   5.095
  263    HA   LEU  29           HA       LEU  29   4.915   5.583   3.539
  264   1HB   LEU  29           2HB      LEU  29   4.799   3.280   2.627
  265   2HB   LEU  29           3HB      LEU  29   3.048   3.320   2.749
  266    HG   LEU  29           HG       LEU  29   3.061   5.305   1.171
  267   1HD1  LEU  29           3HD      LEU  29   5.984   4.516   0.864
  268   2HD1  LEU  29           1HD      LEU  29   5.127   5.645  -0.180
  269   3HD1  LEU  29           2HD      LEU  29   5.396   6.045   1.511
  270   1HD2  LEU  29           3HD      LEU  29   4.311   2.737   0.155
  271   2HD2  LEU  29           1HD      LEU  29   2.588   3.026   0.369
  272   3HD2  LEU  29           2HD      LEU  29   3.489   3.935  -0.840
  273    QB   LEU  29           QB       LEU  29   3.923   3.300   2.687
  274    QD1  LEU  29           QD1      LEU  29   5.502   5.402   0.731
  275    QD2  LEU  29           QD2      LEU  29   3.463   3.233  -0.105
  276    QQD  LEU  29           QQD      LEU  29   4.482   4.318   0.314
  277    H    ALA  30           HN       ALA  30   1.926   4.990   5.178
  278    HA   ALA  30           HA       ALA  30   0.348   6.767   3.427
  279   1HB   ALA  30           3HB      ALA  30  -0.729   4.925   4.713
  280   2HB   ALA  30           1HB      ALA  30  -0.266   5.718   6.217
  281   3HB   ALA  30           2HB      ALA  30  -1.419   6.492   5.136
  282    QB   ALA  30           QB       ALA  30  -0.804   5.712   5.355
  283    H    SER  31           HN       SER  31   2.650   7.992   4.202
  284    HA   SER  31           HA       SER  31   1.620  10.356   5.641
  285   1HB   SER  31           2HB      SER  31   3.698  10.385   7.080
  286   2HB   SER  31           3HB      SER  31   2.725   8.930   7.383
  287    HG   SER  31           HG       SER  31   4.292   7.758   6.544
  288    QB   SER  31           QB       SER  31   3.212   9.657   7.231
  289    H    THR  32           HN       THR  32   4.643   8.995   4.426
  290    HA   THR  32           HA       THR  32   5.690  11.414   3.353
  291    HB   THR  32           HB       THR  32   7.333   9.976   2.195
  292    HG1  THR  32          1HG       THR  32   6.116   7.617   2.862
  293   1HG2  THR  32           1HG      THR  32   7.476   9.938   4.736
  294   2HG2  THR  32           2HG      THR  32   6.434   8.523   4.738
  295   3HG2  THR  32           3HG      THR  32   8.030   8.440   3.998
  296    QG2  THR  32           QG2      THR  32   7.314   8.967   4.490
  297    NH1  ARG  33           NH2      ARG  33   5.003  11.530  -3.257
  298    NH2  ARG  33           NH1      ARG  33   7.183  10.837  -3.420
  299    H    ARG  33           HN       ARG  33   3.957   8.744   1.800
  300    HA   ARG  33           HA       ARG  33   3.789  10.356  -0.703
  301   1HB   ARG  33           2HB      ARG  33   4.085   7.636  -0.262
  302   2HB   ARG  33           3HB      ARG  33   2.378   7.754  -0.645
  303   1HG   ARG  33           2HG      ARG  33   3.367   7.516  -2.770
  304   2HG   ARG  33           3HG      ARG  33   3.185   9.257  -2.639
  305   1HD   ARG  33           2HD      ARG  33   5.613   9.042  -1.483
  306   2HD   ARG  33           3HD      ARG  33   5.667   7.587  -2.478
  307    HE   ARG  33           HE       ARG  33   5.392   9.009  -4.480
  308   1HH1  ARG  33           2HH      ARG  33   4.017  11.291  -3.298
  309   2HH1  ARG  33           1HH      ARG  33   5.278  12.477  -3.109
  310   1HH2  ARG  33           2HH      ARG  33   7.833  10.078  -3.592
  311   2HH2  ARG  33           1HH      ARG  33   7.538  11.758  -3.287
  312    QB   ARG  33           QB       ARG  33   3.232   7.695  -0.453
  313    QG   ARG  33           QG       ARG  33   3.275   8.387  -2.704
  314    QD   ARG  33           QD       ARG  33   5.640   8.314  -1.979
  315    QH1  ARG  33           QH2      ARG  33   4.648  11.884  -3.204
  316    QH2  ARG  33           QH1      ARG  33   7.685  10.918  -3.439
  317    H    GLN  34           HN       GLN  34   1.608  10.345  -1.841
  318    HA   GLN  34           HA       GLN  34  -0.565  10.869   0.173
  319   1HB   GLN  34           2HB      GLN  34  -0.287  12.133  -2.575
  320   2HB   GLN  34           3HB      GLN  34  -1.382  12.610  -1.297
  321   1HG   GLN  34           2HG      GLN  34   0.230  13.767  -0.130
  322   2HG   GLN  34           3HG      GLN  34   1.516  12.660  -0.579
  323   1HE2  GLN  34           2HE      GLN  34   1.536  14.412  -3.951
  324   2HE2  GLN  34           1HE      GLN  34   1.017  12.860  -3.510
  325    QB   GLN  34           QB       GLN  34  -0.834  12.372  -1.936
  326    QG   GLN  34           QG       GLN  34   0.872  13.214  -0.354
  327    QE2  GLN  34           QE2      GLN  34   1.277  13.636  -3.730
  328    H    ILE  35           HN       ILE  35  -0.206   8.316  -0.765
  329    HA   ILE  35           HA       ILE  35  -1.759   7.767  -3.142
  330    HB   ILE  35           HB       ILE  35  -1.636   5.393  -2.358
  331   1HG1  ILE  35           2HG      ILE  35  -0.186   6.585   0.041
  332   2HG1  ILE  35           3HG      ILE  35  -1.780   5.849   0.089
  333   1HG2  ILE  35           2HG      ILE  35   0.187   6.457  -3.644
  334   2HG2  ILE  35           3HG      ILE  35   0.972   6.944  -2.152
  335   3HG2  ILE  35           1HG      ILE  35   0.813   5.235  -2.557
  336   1HD1  ILE  35           3HD      ILE  35  -0.806   3.705  -0.724
  337   2HD1  ILE  35           1HD      ILE  35   0.797   4.438  -0.697
  338   3HD1  ILE  35           2HD      ILE  35  -0.093   4.220   0.802
  339    QG1  ILE  35           QG1      ILE  35  -0.983   6.218   0.064
  340    QG2  ILE  35           QG2      ILE  35   0.657   6.212  -2.784
  341    QD1  ILE  35           QD1      ILE  35  -0.034   4.121  -0.206
  342    H    ASP  36           HN       ASP  36  -3.928   7.455  -3.354
  343    HA   ASP  36           HA       ASP  36  -5.545   7.691  -0.852
  344   1HB   ASP  36           2HB      ASP  36  -7.431   8.134  -2.574
  345   2HB   ASP  36           3HB      ASP  36  -6.222   9.395  -2.371
  346    QB   ASP  36           QB       ASP  36  -6.827   8.764  -2.473
  347    H    PHE  37           HN       PHE  37  -7.441   6.215  -0.711
  348    HA   PHE  37           HA       PHE  37  -6.697   3.589  -1.933
  349   1HB   PHE  37           2HB      PHE  37  -8.213   4.164   0.634
  350   2HB   PHE  37           3HB      PHE  37  -7.871   2.559  -0.004
  351    HD1  PHE  37          1HD       PHE  37  -6.103   5.734   0.969
  352    HD2  PHE  37          2HD       PHE  37  -5.845   1.501   0.574
  353    HE1  PHE  37          1HE       PHE  37  -3.855   5.787   1.932
  354    HE2  PHE  37          2HE       PHE  37  -3.614   1.546   1.613
  355    HZ   PHE  37           HZ       PHE  37  -2.616   3.693   2.293
  356    QB   PHE  37           QB       PHE  37  -8.042   3.361   0.315
  357    QR   PHE  37           QR       PHE  37  -4.855   3.642   1.272
  358    CH2  TRP  38           CH2      TRP  38 -12.045   2.217  -9.645
  359    H    TRP  38           HN       TRP  38  -8.315   2.148  -2.541
  360    HA   TRP  38           HA       TRP  38 -10.870   3.510  -3.336
  361   1HB   TRP  38           2HB      TRP  38  -9.324   2.788  -5.177
  362   2HB   TRP  38           3HB      TRP  38  -9.522   1.149  -4.655
  363    HD1  TRP  38           HD1      TRP  38 -12.856   1.605  -4.210
  364    HE1  TRP  38           HE1      TRP  38 -14.297   1.598  -6.241
  365    HE3  TRP  38           HE3      TRP  38  -9.306   2.416  -7.635
  366    HZ2  TRP  38           HZ2      TRP  38 -14.055   1.891  -8.989
  367    HZ3  TRP  38           HZ3      TRP  38  -9.967   2.528 -10.025
  368    HH2  TRP  38           HH2      TRP  38 -12.315   2.277 -10.689
  369    QB   TRP  38           QB       TRP  38  -9.423   1.969  -4.916
  370    H    LYS  39           HN       LYS  39  -9.641   0.168  -2.785
  371    HA   LYS  39           HA       LYS  39 -12.034  -0.196  -0.998
  372   1HB   LYS  39           2HB      LYS  39 -10.682  -2.475  -2.432
  373   2HB   LYS  39           3HB      LYS  39 -12.292  -2.434  -1.741
  374   1HG   LYS  39           2HG      LYS  39 -12.905  -0.705  -3.497
  375   2HG   LYS  39           3HG      LYS  39 -11.347  -1.001  -4.247
  376   1HD   LYS  39           2HD      LYS  39 -13.663  -2.931  -3.924
  377   2HD   LYS  39           3HD      LYS  39 -12.895  -2.409  -5.414
  378   1HE   LYS  39           2HE      LYS  39 -11.799  -4.313  -3.329
  379   2HE   LYS  39           3HE      LYS  39 -12.079  -4.618  -5.036
  380   1HZ   LYS  39           2HZ      LYS  39 -10.284  -2.455  -4.774
  381   2HZ   LYS  39           3HZ      LYS  39  -9.729  -3.752  -3.837
  382   3HZ   LYS  39           1HZ      LYS  39 -10.061  -3.976  -5.491
  383    QB   LYS  39           QB       LYS  39 -11.488  -2.454  -2.087
  384    QG   LYS  39           QG       LYS  39 -12.125  -0.853  -3.872
  385    QD   LYS  39           QD       LYS  39 -13.279  -2.670  -4.670
  386    QE   LYS  39           QE       LYS  39 -11.939  -4.466  -4.182
  387    QZ   LYS  39           QZ       LYS  39 -10.025  -3.394  -4.701
  388    HA   PRO  40           HA       PRO  40 -12.691  -0.571   0.700
  389   1HB   PRO  40           2HB      PRO  40 -13.020  -1.762   3.105
  390   2HB   PRO  40           3HB      PRO  40 -13.212  -2.660   1.598
  391   1HG   PRO  40           2HG      PRO  40 -10.896  -2.694   3.512
  392   2HG   PRO  40           3HG      PRO  40 -11.582  -4.029   2.580
  393   1HD   PRO  40           2HD      PRO  40  -9.293  -2.574   1.837
  394   2HD   PRO  40           3HD      PRO  40 -10.257  -3.581   0.745
  395    QB   PRO  40           QB       PRO  40 -13.116  -2.212   2.352
  396    QG   PRO  40           QG       PRO  40 -11.239  -3.362   3.046
  397    QD   PRO  40           QD       PRO  40  -9.774  -3.078   1.292
  398    H    ASP  41           HN       ASP  41 -10.046  -0.932   2.866
  399    HA   ASP  41           HA       ASP  41 -10.736   1.022   4.733
  400   1HB   ASP  41           2HB      ASP  41  -8.786  -1.202   4.196
  401   2HB   ASP  41           3HB      ASP  41  -8.133   0.062   5.196
  402    QB   ASP  41           QB       ASP  41  -8.460  -0.571   4.697
  403    H    SER  42           HN       SER  42  -8.386   1.562   5.048
  404    HA   SER  42           HA       SER  42  -6.945   3.113   3.057
  405   1HB   SER  42           2HB      SER  42  -8.531   4.647   5.188
  406   2HB   SER  42           3HB      SER  42  -7.365   5.364   4.065
  407    HG   SER  42           HG       SER  42  -9.275   3.760   2.884
  408    QB   SER  42           QB       SER  42  -7.949   5.006   4.627
  409    H    VAL  43           HN       VAL  43  -5.882   1.241   4.478
  410    HA   VAL  43           HA       VAL  43  -4.499   0.603   6.282
  411    HB   VAL  43           HB       VAL  43  -3.105   2.163   4.851
  412   1HG1  VAL  43           2HG      VAL  43  -3.736   4.164   7.044
  413   2HG1  VAL  43           3HG      VAL  43  -2.455   4.334   5.857
  414   3HG1  VAL  43           1HG      VAL  43  -4.121   4.324   5.333
  415   1HG2  VAL  43           1HG      VAL  43  -2.121   0.795   6.634
  416   2HG2  VAL  43           2HG      VAL  43  -1.305   2.350   6.516
  417   3HG2  VAL  43           3HG      VAL  43  -2.468   2.060   7.801
  418    QG1  VAL  43           QG1      VAL  43  -3.437   4.274   6.079
  419    QG2  VAL  43           QG2      VAL  43  -1.965   1.735   6.984
  420    QQG  VAL  43           QQG      VAL  43  -2.701   3.005   6.531
  421    H    THR  44           HN       THR  44  -7.034   1.408   6.937
  422    HA   THR  44           HA       THR  44  -6.785   2.947   9.459
  423    HB   THR  44           HB       THR  44  -9.462   2.686   9.080
  424    HG1  THR  44          1HG       THR  44  -9.687   1.627   7.210
  425   1HG2  THR  44           2HG      THR  44  -7.722   4.424   7.283
  426   2HG2  THR  44           3HG      THR  44  -9.403   4.730   7.692
  427   3HG2  THR  44           1HG      THR  44  -8.151   4.860   8.926
  428    QG2  THR  44           QG2      THR  44  -8.426   4.671   7.967
  429    H    GLN  45           HN       GLN  45  -8.801   0.183   8.391
  430    HA   GLN  45           HA       GLN  45  -8.182  -1.094  11.042
  431   1HB   GLN  45           2HB      GLN  45 -10.818  -1.204   9.522
  432   2HB   GLN  45           3HB      GLN  45 -10.463  -2.072  11.002
  433   1HG   GLN  45           2HG      GLN  45 -11.518  -0.211  11.895
  434   2HG   GLN  45           3HG      GLN  45  -9.850   0.338  11.930
  435   1HE2  GLN  45           2HE      GLN  45 -11.400   1.917   8.582
  436   2HE2  GLN  45           1HE      GLN  45 -10.920   0.294   8.664
  437    QB   GLN  45           QB       GLN  45 -10.641  -1.638  10.261
  438    QG   GLN  45           QG       GLN  45 -10.684   0.064  11.912
  439    QE2  GLN  45           QE2      GLN  45 -11.160   1.105   8.623
  440    H    ILE  46           HN       ILE  46  -6.505  -1.669   9.131
  441    HA   ILE  46           HA       ILE  46  -7.499  -3.987   7.581
  442    HB   ILE  46           HB       ILE  46  -4.718  -2.757   7.649
  443   1HG1  ILE  46           2HG      ILE  46  -7.080  -2.246   5.796
  444   2HG1  ILE  46           3HG      ILE  46  -6.380  -1.093   6.921
  445   1HG2  ILE  46           1HG      ILE  46  -4.882  -5.100   6.776
  446   2HG2  ILE  46           2HG      ILE  46  -6.073  -4.558   5.597
  447   3HG2  ILE  46           3HG      ILE  46  -4.420  -3.948   5.536
  448   1HD1  ILE  46           1HD      ILE  46  -4.211  -1.225   5.686
  449   2HD1  ILE  46           2HD      ILE  46  -4.951  -2.314   4.527
  450   3HD1  ILE  46           3HD      ILE  46  -5.524  -0.662   4.657
  451    QG1  ILE  46           QG1      ILE  46  -6.730  -1.669   6.358
  452    QG2  ILE  46           QG2      ILE  46  -5.125  -4.535   5.969
  453    QD1  ILE  46           QD1      ILE  46  -4.895  -1.400   4.956
  454    H    LYS  47           HN       LYS  47  -6.903  -6.023   7.916
  455    HA   LYS  47           HA       LYS  47  -5.201  -6.648  10.305
  456   1HB   LYS  47           2HB      LYS  47  -6.631  -8.753  10.457
  457   2HB   LYS  47           3HB      LYS  47  -7.512  -7.266  10.794
  458   1HG   LYS  47           2HG      LYS  47  -8.699  -7.354   8.787
  459   2HG   LYS  47           3HG      LYS  47  -7.427  -8.222   7.948
  460   1HD   LYS  47           2HD      LYS  47  -9.187  -9.808   8.225
  461   2HD   LYS  47           3HD      LYS  47  -7.968 -10.234   9.412
  462   1HE   LYS  47           2HE      LYS  47 -10.135 -10.309  10.499
  463   2HE   LYS  47           3HE      LYS  47  -9.250  -8.931  11.138
  464   1HZ   LYS  47           3HZ      LYS  47 -10.685  -8.111   8.859
  465   2HZ   LYS  47           1HZ      LYS  47 -11.759  -8.933   9.898
  466   3HZ   LYS  47           2HZ      LYS  47 -10.867  -7.593  10.459
  467    QB   LYS  47           QB       LYS  47  -7.072  -8.009  10.626
  468    QG   LYS  47           QG       LYS  47  -8.063  -7.788   8.367
  469    QD   LYS  47           QD       LYS  47  -8.578 -10.020   8.819
  470    QE   LYS  47           QE       LYS  47  -9.693  -9.620  10.818
  471    QZ   LYS  47           QZ       LYS  47 -11.103  -8.212   9.739
  472    HA   PRO  48           HA       PRO  48  -3.010  -9.471   7.507
  473   1HB   PRO  48           2HB      PRO  48  -2.982 -11.719   9.194
  474   2HB   PRO  48           3HB      PRO  48  -1.732 -10.470   9.120
  475   1HG   PRO  48           2HG      PRO  48  -3.942 -10.818  11.119
  476   2HG   PRO  48           3HG      PRO  48  -2.320 -10.153  11.356
  477   1HD   PRO  48           2HD      PRO  48  -4.585  -8.589  11.172
  478   2HD   PRO  48           3HD      PRO  48  -2.975  -8.009  10.698
  479    QB   PRO  48           QB       PRO  48  -2.357 -11.094   9.157
  480    QG   PRO  48           QG       PRO  48  -3.131 -10.485  11.238
  481    QD   PRO  48           QD       PRO  48  -3.779  -8.299  10.934
  482    H    HIS  49           HN       HIS  49  -3.755 -10.868   6.027
  483    HA   HIS  49           HA       HIS  49  -5.165 -12.332   4.882
  484   1HB   HIS  49           2HB      HIS  49  -6.778 -12.602   7.426
  485   2HB   HIS  49           3HB      HIS  49  -6.771 -13.678   6.058
  486    HD1  HIS  49           HD1      HIS  49  -6.181 -15.203   8.293
  487    HD2  HIS  49           HD2      HIS  49  -3.080 -13.011   6.721
  488    HE1  HIS  49           HE1      HIS  49  -4.062 -16.260   9.145
  489    QB   HIS  49           QB       HIS  49  -6.774 -13.140   6.742
  490    H    SER  50           HN       SER  50  -5.456  -9.839   4.290
  491    HA   SER  50           HA       SER  50  -8.313  -9.596   3.717
  492   1HB   SER  50           2HB      SER  50  -8.625  -7.352   4.715
  493   2HB   SER  50           3HB      SER  50  -8.175  -8.514   5.969
  494    HG   SER  50           HG       SER  50  -6.025  -7.802   5.812
  495    QB   SER  50           QB       SER  50  -8.399  -7.933   5.342
  496    H    THR  51           HN       THR  51  -8.718  -7.754   2.181
  497    HA   THR  51           HA       THR  51  -6.221  -7.178   0.607
  498    HB   THR  51           HB       THR  51  -8.921  -7.213  -0.754
  499    HG1  THR  51          1HG       THR  51  -9.121  -9.293  -0.391
  500   1HG2  THR  51           2HG      THR  51  -6.199  -8.382  -1.515
  501   2HG2  THR  51           3HG      THR  51  -7.606  -8.261  -2.565
  502   3HG2  THR  51           1HG      THR  51  -6.763  -6.802  -2.049
  503    QG2  THR  51           QG2      THR  51  -6.856  -7.815  -2.043
  504    H    VAL  52           HN       VAL  52  -5.901  -5.121  -0.098
  505    HA   VAL  52           HA       VAL  52  -8.036  -3.123   0.000
  506    HB   VAL  52           HB       VAL  52  -6.870  -1.635   1.421
  507   1HG1  VAL  52           3HG      VAL  52  -7.907  -3.554   2.663
  508   2HG1  VAL  52           1HG      VAL  52  -6.344  -4.345   2.663
  509   3HG1  VAL  52           2HG      VAL  52  -6.567  -2.831   3.525
  510   1HG2  VAL  52           3HG      VAL  52  -4.608  -1.908   0.487
  511   2HG2  VAL  52           1HG      VAL  52  -4.573  -1.963   2.246
  512   3HG2  VAL  52           2HG      VAL  52  -4.456  -3.456   1.313
  513    QG1  VAL  52           QG1      VAL  52  -6.940  -3.577   2.950
  514    QG2  VAL  52           QG2      VAL  52  -4.545  -2.442   1.349
  515    QQG  VAL  52           QQG      VAL  52  -5.743  -3.010   2.150
  516    H    ASP  53           HN       ASP  53  -7.331  -1.172  -1.279
  517    HA   ASP  53           HA       ASP  53  -4.893  -1.569  -2.919
  518   1HB   ASP  53           2HB      ASP  53  -6.523  -0.887  -4.942
  519   2HB   ASP  53           3HB      ASP  53  -6.276  -2.557  -4.466
  520    QB   ASP  53           QB       ASP  53  -6.400  -1.722  -4.703
  521    H    PHE  54           HN       PHE  54  -4.363   0.366  -4.260
  522    HA   PHE  54           HA       PHE  54  -5.632   2.876  -3.361
  523   1HB   PHE  54           2HB      PHE  54  -3.505   3.863  -2.588
  524   2HB   PHE  54           3HB      PHE  54  -3.881   2.421  -1.653
  525    HD1  PHE  54          2HD       PHE  54  -2.607   0.299  -2.056
  526    HD2  PHE  54          1HD       PHE  54  -1.634   3.881  -4.160
  527    HE1  PHE  54          2HE       PHE  54  -0.461  -0.678  -2.758
  528    HE2  PHE  54          1HE       PHE  54   0.459   2.854  -4.918
  529    HZ   PHE  54           HZ       PHE  54   1.052   0.585  -4.219
  530    QB   PHE  54           QB       PHE  54  -3.693   3.142  -2.121
  531    QR   PHE  54           QR       PHE  54  -1.061   1.589  -3.472
  532    NH1  ARG  55           NH1      ARG  55  -6.701   9.082  -7.167
  533    NH2  ARG  55           NH2      ARG  55  -6.456  10.049  -9.240
  534    H    ARG  55           HN       ARG  55  -4.643   4.806  -4.420
  535    HA   ARG  55           HA       ARG  55  -3.532   4.136  -7.120
  536   1HB   ARG  55           2HB      ARG  55  -6.022   4.903  -6.974
  537   2HB   ARG  55           3HB      ARG  55  -5.362   6.486  -6.577
  538   1HG   ARG  55           2HG      ARG  55  -3.886   6.154  -8.715
  539   2HG   ARG  55           3HG      ARG  55  -5.036   4.894  -9.121
  540   1HD   ARG  55           2HD      ARG  55  -5.937   6.810 -10.181
  541   2HD   ARG  55           3HD      ARG  55  -6.861   6.715  -8.678
  542    HE   ARG  55           HE       ARG  55  -4.400   8.422  -8.798
  543   1HH1  ARG  55           2HH      ARG  55  -6.427   8.339  -6.540
  544   2HH1  ARG  55           1HH      ARG  55  -7.358   9.761  -6.855
  545   1HH2  ARG  55           2HH      ARG  55  -5.994  10.009 -10.147
  546   2HH2  ARG  55           1HH      ARG  55  -7.104  10.780  -9.046
  547    QB   ARG  55           QB       ARG  55  -5.691   5.695  -6.776
  548    QG   ARG  55           QG       ARG  55  -4.461   5.524  -8.918
  549    QD   ARG  55           QD       ARG  55  -6.399   6.763  -9.429
  550    QH1  ARG  55           QH1      ARG  55  -6.893   9.050  -6.697
  551    QH2  ARG  55           QH2      ARG  55  -6.550  10.394  -9.597
  552    H    VAL  56           HN       VAL  56  -1.858   5.440  -7.814
  553    HA   VAL  56           HA       VAL  56  -0.940   7.559  -5.907
  554    HB   VAL  56           HB       VAL  56   0.946   6.288  -7.869
  555   1HG1  VAL  56           1HG      VAL  56   1.622   8.197  -6.426
  556   2HG1  VAL  56           2HG      VAL  56   1.246   7.258  -5.000
  557   3HG1  VAL  56           3HG      VAL  56   2.558   6.749  -6.056
  558   1HG2  VAL  56           1HG      VAL  56  -0.210   4.346  -6.785
  559   2HG2  VAL  56           2HG      VAL  56   1.476   4.467  -6.300
  560   3HG2  VAL  56           3HG      VAL  56   0.210   5.012  -5.209
  561    QG1  VAL  56           QG1      VAL  56   1.809   7.401  -5.827
  562    QG2  VAL  56           QG2      VAL  56   0.492   4.608  -6.098
  563    QQG  VAL  56           QQG      VAL  56   1.150   6.005  -5.963
  564    H    LYS  57           HN       LYS  57  -0.381   9.506  -6.796
  565    HA   LYS  57           HA       LYS  57  -1.277   9.961  -9.623
  566   1HB   LYS  57           2HB      LYS  57  -1.894  12.266  -8.780
  567   2HB   LYS  57           3HB      LYS  57  -2.820  10.952  -8.079
  568   1HG   LYS  57           2HG      LYS  57  -0.767  11.067  -6.296
  569   2HG   LYS  57           3HG      LYS  57  -0.751  12.723  -6.830
  570   1HD   LYS  57           2HD      LYS  57  -2.168  12.550  -4.869
  571   2HD   LYS  57           3HD      LYS  57  -3.181  12.884  -6.264
  572   1HE   LYS  57           2HE      LYS  57  -4.229  11.149  -4.908
  573   2HE   LYS  57           3HE      LYS  57  -3.718  10.444  -6.425
  574   1HZ   LYS  57           1HZ      LYS  57  -1.585  10.139  -4.629
  575   2HZ   LYS  57           2HZ      LYS  57  -3.013   9.723  -3.802
  576   3HZ   LYS  57           3HZ      LYS  57  -2.641   8.926  -5.264
  577    QB   LYS  57           QB       LYS  57  -2.358  11.609  -8.429
  578    QG   LYS  57           QG       LYS  57  -0.759  11.895  -6.563
  579    QD   LYS  57           QD       LYS  57  -2.674  12.717  -5.566
  580    QE   LYS  57           QE       LYS  57  -3.974  10.796  -5.666
  581    QZ   LYS  57           QZ       LYS  57  -2.414   9.596  -4.565
  582    H    ALA  58           HN       ALA  58   0.779   9.778 -10.543
  583    HA   ALA  58           HA       ALA  58   3.028  10.357 -11.038
  584   1HB   ALA  58           3HB      ALA  58   1.527  11.666 -12.440
  585   2HB   ALA  58           1HB      ALA  58   1.488  12.936 -11.215
  586   3HB   ALA  58           2HB      ALA  58   2.991  12.578 -12.064
  587    QB   ALA  58           QB       ALA  58   2.002  12.393 -11.906
  588    H    GLU  59           HN       GLU  59   2.398  10.751  -8.235
  589    HA   GLU  59           HA       GLU  59   4.196  12.954  -7.419
  590   1HB   GLU  59           2HB      GLU  59   3.366  12.307  -5.102
  591   2HB   GLU  59           3HB      GLU  59   2.104  12.852  -6.196
  592   1HG   GLU  59           2HG      GLU  59   1.330  10.615  -6.597
  593   2HG   GLU  59           3HG      GLU  59   2.757   9.902  -5.855
  594    QB   GLU  59           QB       GLU  59   2.735  12.580  -5.649
  595    QG   GLU  59           QG       GLU  59   2.044  10.258  -6.226
  596    H    ASP  60           HN       ASP  60   5.888  11.563  -8.541
  597    HA   ASP  60           HA       ASP  60   7.644   9.993  -8.425
  598   1HB   ASP  60           2HB      ASP  60   8.531  11.519  -6.814
  599   2HB   ASP  60           3HB      ASP  60   7.355  11.042  -5.609
  600    QB   ASP  60           QB       ASP  60   7.943  11.281  -6.211
  601    H    ILE  61           HN       ILE  61   5.461   8.759  -8.829
  602    HA   ILE  61           HA       ILE  61   4.485   6.922  -6.898
  603    HB   ILE  61           HB       ILE  61   4.662   6.607  -9.926
  604   1HG1  ILE  61           2HG      ILE  61   2.574   7.816  -8.081
  605   2HG1  ILE  61           3HG      ILE  61   3.502   8.656  -9.297
  606   1HG2  ILE  61           1HG      ILE  61   4.223   4.470  -8.716
  607   2HG2  ILE  61           2HG      ILE  61   2.877   5.224  -7.875
  608   3HG2  ILE  61           3HG      ILE  61   2.810   4.987  -9.620
  609   1HD1  ILE  61           3HD      ILE  61   1.498   6.448  -9.879
  610   2HD1  ILE  61           1HD      ILE  61   1.198   8.160 -10.072
  611   3HD1  ILE  61           2HD      ILE  61   2.405   7.366 -11.070
  612    QG1  ILE  61           QG1      ILE  61   3.038   8.236  -8.690
  613    QG2  ILE  61           QG2      ILE  61   3.303   4.894  -8.737
  614    QD1  ILE  61           QD1      ILE  61   1.701   7.325 -10.341
  615    H    LEU  62           HN       LEU  62   7.257   6.936  -8.982
  616    HA   LEU  62           HA       LEU  62   8.158   4.329  -8.970
  617   1HB   LEU  62           2HB      LEU  62   9.691   6.910  -8.551
  618   2HB   LEU  62           3HB      LEU  62  10.516   5.358  -8.587
  619    HG   LEU  62           HG       LEU  62   9.399   4.921 -10.844
  620   1HD1  LEU  62           2HD      LEU  62   8.766   7.889 -10.627
  621   2HD1  LEU  62           3HD      LEU  62   8.601   6.914 -12.084
  622   3HD1  LEU  62           1HD      LEU  62   7.589   6.580 -10.692
  623   1HD2  LEU  62           2HD      LEU  62  11.755   5.630 -10.665
  624   2HD2  LEU  62           3HD      LEU  62  10.999   6.330 -12.097
  625   3HD2  LEU  62           1HD      LEU  62  11.254   7.322 -10.661
  626    QB   LEU  62           QB       LEU  62  10.103   6.134  -8.569
  627    QD1  LEU  62           QD1      LEU  62   8.319   7.127 -11.134
  628    QD2  LEU  62           QD2      LEU  62  11.336   6.427 -11.141
  629    QQD  LEU  62           QQD      LEU  62   9.827   6.778 -11.137
  630    H    ALA  63           HN       ALA  63   8.653   6.706  -6.369
  631    HA   ALA  63           HA       ALA  63   9.891   5.077  -4.470
  632   1HB   ALA  63           2HB      ALA  63   7.788   7.221  -4.004
  633   2HB   ALA  63           3HB      ALA  63   8.864   6.581  -2.760
  634   3HB   ALA  63           1HB      ALA  63   9.527   7.470  -4.125
  635    QB   ALA  63           QB       ALA  63   8.726   7.091  -3.629
  636    H    VAL  64           HN       VAL  64   6.383   5.241  -5.119
  637    HA   VAL  64           HA       VAL  64   5.711   3.523  -2.864
  638    HB   VAL  64           HB       VAL  64   4.155   3.973  -5.446
  639   1HG1  VAL  64           3HG      VAL  64   3.320   2.891  -2.725
  640   2HG1  VAL  64           1HG      VAL  64   2.217   3.264  -4.040
  641   3HG1  VAL  64           2HG      VAL  64   3.400   1.980  -4.230
  642   1HG2  VAL  64           2HG      VAL  64   3.943   5.343  -2.743
  643   2HG2  VAL  64           3HG      VAL  64   4.568   6.082  -4.213
  644   3HG2  VAL  64           1HG      VAL  64   2.871   5.627  -4.112
  645    QG1  VAL  64           QG1      VAL  64   2.979   2.712  -3.665
  646    QG2  VAL  64           QG2      VAL  64   3.794   5.685  -3.689
  647    QQG  VAL  64           QQG      VAL  64   3.386   4.198  -3.677
  648    H    GLU  65           HN       GLU  65   6.298   3.045  -6.312
  649    HA   GLU  65           HA       GLU  65   5.805   0.214  -6.359
  650   1HB   GLU  65           2HB      GLU  65   7.766   1.744  -8.126
  651   2HB   GLU  65           3HB      GLU  65   6.941   0.236  -8.511
  652   1HG   GLU  65           2HG      GLU  65   4.762   1.729  -7.999
  653   2HG   GLU  65           3HG      GLU  65   5.846   3.038  -8.426
  654    QB   GLU  65           QB       GLU  65   7.354   0.990  -8.318
  655    QG   GLU  65           QG       GLU  65   5.304   2.383  -8.213
  656    H    ASP  66           HN       ASP  66   8.877   2.010  -6.195
  657    HA   ASP  66           HA       ASP  66  10.684  -0.024  -5.760
  658   1HB   ASP  66           2HB      ASP  66  10.384   2.865  -5.205
  659   2HB   ASP  66           3HB      ASP  66  11.551   2.062  -4.205
  660    QB   ASP  66           QB       ASP  66  10.968   2.463  -4.704
  661    H    PHE  67           HN       PHE  67   8.874   1.825  -3.380
  662    HA   PHE  67           HA       PHE  67   9.766   0.565  -0.991
  663   1HB   PHE  67           2HB      PHE  67   8.377   2.653  -1.147
  664   2HB   PHE  67           3HB      PHE  67   6.997   1.669  -1.597
  665    HD1  PHE  67          2HD       PHE  67   9.612   1.776   1.114
  666    HD2  PHE  67          1HD       PHE  67   5.556   0.959   0.096
  667    HE1  PHE  67          2HE       PHE  67   9.089   1.379   3.483
  668    HE2  PHE  67          1HE       PHE  67   5.033   0.613   2.465
  669    HZ   PHE  67           HZ       PHE  67   6.804   0.750   4.152
  670    QB   PHE  67           QB       PHE  67   7.687   2.160  -1.372
  671    QR   PHE  67           QR       PHE  67   7.322   1.183   1.790
  672    H    LEU  68           HN       LEU  68   7.220  -0.296  -3.234
  673    HA   LEU  68           HA       LEU  68   6.363  -2.571  -1.549
  674   1HB   LEU  68           2HB      LEU  68   5.522  -1.735  -4.345
  675   2HB   LEU  68           3HB      LEU  68   4.775  -3.019  -3.407
  676    HG   LEU  68           HG       LEU  68   4.982  -0.199  -2.332
  677   1HD1  LEU  68           2HD      LEU  68   2.715  -1.444  -3.931
  678   2HD1  LEU  68           3HD      LEU  68   2.671   0.124  -3.127
  679   3HD1  LEU  68           1HD      LEU  68   3.764  -0.141  -4.483
  680   1HD2  LEU  68           1HD      LEU  68   3.162  -2.568  -1.725
  681   2HD2  LEU  68           2HD      LEU  68   4.497  -2.008  -0.720
  682   3HD2  LEU  68           3HD      LEU  68   3.080  -0.993  -0.943
  683    QB   LEU  68           QB       LEU  68   5.149  -2.377  -3.876
  684    QD1  LEU  68           QD1      LEU  68   3.050  -0.487  -3.848
  685    QD2  LEU  68           QD2      LEU  68   3.580  -1.857  -1.130
  686    QQD  LEU  68           QQD      LEU  68   3.315  -1.171  -2.488
  687    H    GLU  69           HN       GLU  69   8.490  -2.133  -4.263
  688    HA   GLU  69           HA       GLU  69   8.420  -5.040  -4.862
  689   1HB   GLU  69           2HB      GLU  69   8.631  -3.006  -6.565
  690   2HB   GLU  69           3HB      GLU  69  10.342  -3.155  -6.194
  691   1HG   GLU  69           2HG      GLU  69  10.272  -4.719  -7.884
  692   2HG   GLU  69           3HG      GLU  69   9.731  -5.786  -6.592
  693    QB   GLU  69           QB       GLU  69   9.487  -3.080  -6.379
  694    QG   GLU  69           QG       GLU  69  10.001  -5.253  -7.238
  695    H    GLN  70           HN       GLN  70  10.753  -2.573  -3.816
  696    HA   GLN  70           HA       GLN  70  13.036  -4.159  -3.574
  697   1HB   GLN  70           2HB      GLN  70  12.051  -1.819  -1.934
  698   2HB   GLN  70           3HB      GLN  70  13.568  -2.619  -1.532
  699   1HG   GLN  70           2HG      GLN  70  14.273  -2.308  -3.959
  700   2HG   GLN  70           3HG      GLN  70  12.837  -1.317  -4.184
  701   1HE2  GLN  70           2HE      GLN  70  14.909   1.415  -3.324
  702   2HE2  GLN  70           1HE      GLN  70  13.972   0.664  -4.532
  703    QB   GLN  70           QB       GLN  70  12.809  -2.220  -1.733
  704    QG   GLN  70           QG       GLN  70  13.555  -1.813  -4.071
  705    QE2  GLN  70           QE2      GLN  70  14.441   1.040  -3.928
  706    H    ASN  71           HN       ASN  71  10.227  -4.166  -1.469
  707    HA   ASN  71           HA       ASN  71  11.502  -6.380   0.069
  708   1HB   ASN  71           2HB      ASN  71   9.909  -5.730   1.870
  709   2HB   ASN  71           3HB      ASN  71  11.111  -4.493   1.528
  710   1HD2  ASN  71           2HD      ASN  71   8.406  -2.315   1.147
  711   2HD2  ASN  71           1HD      ASN  71   9.830  -2.654   1.975
  712    QB   ASN  71           QB       ASN  71  10.510  -5.111   1.699
  713    QD2  ASN  71           QD2      ASN  71   9.118  -2.485   1.560
  714    H    GLU  72           HN       GLU  72   9.827  -6.339  -2.444
  715    HA   GLU  72           HA       GLU  72   7.699  -7.079  -3.232
  716   1HB   GLU  72           2HB      GLU  72   9.347  -8.983  -3.324
  717   2HB   GLU  72           3HB      GLU  72   8.710  -9.538  -1.782
  718   1HG   GLU  72           2HG      GLU  72   6.427  -9.682  -2.806
  719   2HG   GLU  72           3HG      GLU  72   7.104  -9.168  -4.345
  720    QB   GLU  72           QB       GLU  72   9.028  -9.260  -2.553
  721    QG   GLU  72           QG       GLU  72   6.765  -9.424  -3.576
  722    H    LEU  73           HN       LEU  73   6.802  -5.617  -1.482
  723    HA   LEU  73           HA       LEU  73   5.535  -6.820   0.798
  724   1HB   LEU  73           2HB      LEU  73   6.130  -4.298   0.231
  725   2HB   LEU  73           3HB      LEU  73   4.556  -4.297  -0.533
  726    HG   LEU  73           HG       LEU  73   3.591  -5.159   1.623
  727   1HD1  LEU  73           2HD      LEU  73   6.400  -4.554   2.625
  728   2HD1  LEU  73           3HD      LEU  73   5.020  -4.810   3.679
  729   3HD1  LEU  73           1HD      LEU  73   5.594  -6.118   2.654
  730   1HD2  LEU  73           2HD      LEU  73   5.092  -2.513   1.723
  731   2HD2  LEU  73           3HD      LEU  73   3.498  -2.770   1.016
  732   3HD2  LEU  73           1HD      LEU  73   3.725  -2.936   2.750
  733    QB   LEU  73           QB       LEU  73   5.343  -4.297  -0.150
  734    QD1  LEU  73           QD1      LEU  73   5.671  -5.160   2.986
  735    QD2  LEU  73           QD2      LEU  73   4.105  -2.740   1.830
  736    QQD  LEU  73           QQD      LEU  73   4.888  -3.949   2.408
  737    H    GLN  74           HN       GLN  74   4.793  -8.588  -0.479
  738    HA   GLN  74           HA       GLN  74   3.275  -9.564  -2.152
  739   1HB   GLN  74           2HB      GLN  74   1.868  -9.119   0.499
  740   2HB   GLN  74           3HB      GLN  74   1.560 -10.432  -0.630
  741   1HG   GLN  74           2HG      GLN  74   4.230  -9.913   0.756
  742   2HG   GLN  74           3HG      GLN  74   3.074 -11.146   1.226
  743   1HE2  GLN  74           2HE      GLN  74   5.578 -11.874  -1.870
  744   2HE2  GLN  74           1HE      GLN  74   5.710 -10.466  -0.923
  745    QB   GLN  74           QB       GLN  74   1.714  -9.775  -0.066
  746    QG   GLN  74           QG       GLN  74   3.652 -10.529   0.990
  747    QE2  GLN  74           QE2      GLN  74   5.644 -11.170  -1.397
  748    OH   TYR  75           OH       TYR  75   5.873  -3.646  -6.915
  749    H    TYR  75           HN       TYR  75   3.046  -7.437  -3.401
  750    HA   TYR  75           HA       TYR  75   0.156  -6.698  -3.429
  751   1HB   TYR  75           2HB      TYR  75   0.699  -4.402  -3.772
  752   2HB   TYR  75           3HB      TYR  75   1.788  -4.904  -2.491
  753    HD1  TYR  75           HD1      TYR  75   4.127  -5.978  -3.459
  754    HD2  TYR  75           HD2      TYR  75   1.603  -3.271  -5.573
  755    HE1  TYR  75           HE1      TYR  75   5.965  -5.441  -4.980
  756    HE2  TYR  75           HE2      TYR  75   3.471  -2.680  -7.030
  757    HH   TYR  75           HH       TYR  75   6.223  -4.446  -7.346
  758    QB   TYR  75           QB       TYR  75   1.244  -4.653  -3.132
  759    QR   TYR  75           QR       TYR  75   3.792  -4.342  -5.261
  760    H    GLU  76           HN       GLU  76  -0.404  -5.626  -5.545
  761    HA   GLU  76           HA       GLU  76   1.226  -6.513  -7.836
  762   1HB   GLU  76           2HB      GLU  76  -0.541  -7.817  -8.856
  763   2HB   GLU  76           3HB      GLU  76  -0.290  -8.433  -7.238
  764   1HG   GLU  76           2HG      GLU  76  -2.490  -6.460  -7.947
  765   2HG   GLU  76           3HG      GLU  76  -2.711  -8.195  -7.923
  766    QB   GLU  76           QB       GLU  76  -0.415  -8.125  -8.046
  767    QG   GLU  76           QG       GLU  76  -2.601  -7.328  -7.935
  768    H    VAL  77           HN       VAL  77  -0.078  -5.830  -9.914
  769    HA   VAL  77           HA       VAL  77  -0.949  -3.012  -9.458
  770    HB   VAL  77           HB       VAL  77  -0.149  -4.477 -12.016
  771   1HG1  VAL  77           1HG      VAL  77  -0.657  -1.512 -11.531
  772   2HG1  VAL  77           2HG      VAL  77  -0.044  -2.209 -13.030
  773   3HG1  VAL  77           3HG      VAL  77  -1.674  -2.584 -12.488
  774   1HG2  VAL  77           3HG      VAL  77   1.367  -2.476 -10.297
  775   2HG2  VAL  77           1HG      VAL  77   1.743  -4.188 -10.475
  776   3HG2  VAL  77           2HG      VAL  77   1.925  -3.101 -11.847
  777    QG1  VAL  77           QG1      VAL  77  -0.792  -2.102 -12.350
  778    QG2  VAL  77           QG2      VAL  77   1.678  -3.255 -10.873
  779    QQG  VAL  77           QQG      VAL  77   0.444  -2.678 -11.612
  780    H    LEU  78           HN       LEU  78  -3.014  -2.374 -10.776
  781    HA   LEU  78           HA       LEU  78  -5.005  -4.184 -10.406
  782   1HB   LEU  78           2HB      LEU  78  -4.825  -1.568 -11.462
  783   2HB   LEU  78           3HB      LEU  78  -5.727  -2.510 -12.659
  784    HG   LEU  78           HG       LEU  78  -6.170  -2.588  -9.682
  785   1HD1  LEU  78           1HD      LEU  78  -6.933  -0.423 -10.663
  786   2HD1  LEU  78           2HD      LEU  78  -7.911  -1.306 -11.821
  787   3HD1  LEU  78           3HD      LEU  78  -8.285  -1.386 -10.102
  788   1HD2  LEU  78           1HD      LEU  78  -6.860  -4.661 -10.902
  789   2HD2  LEU  78           2HD      LEU  78  -8.282  -3.802 -10.344
  790   3HD2  LEU  78           3HD      LEU  78  -7.795  -3.694 -12.030
  791    QB   LEU  78           QB       LEU  78  -5.276  -2.039 -12.061
  792    QD1  LEU  78           QD1      LEU  78  -7.710  -1.038 -10.862
  793    QD2  LEU  78           QD2      LEU  78  -7.645  -4.052 -11.092
  794    QQD  LEU  78           QQD      LEU  78  -7.678  -2.546 -10.977
  795    H    ILE  79           HN       ILE  79  -4.096  -6.104 -11.144
  796    HA   ILE  79           HA       ILE  79  -4.544  -6.649 -14.029
  797    HB   ILE  79           HB       ILE  79  -3.350  -8.603 -12.030
  798   1HG1  ILE  79           2HG      ILE  79  -1.809  -6.591 -13.716
  799   2HG1  ILE  79           3HG      ILE  79  -1.984  -6.532 -11.972
  800   1HG2  ILE  79           3HG      ILE  79  -4.106  -9.461 -14.255
  801   2HG2  ILE  79           1HG      ILE  79  -3.020  -8.322 -15.047
  802   3HG2  ILE  79           2HG      ILE  79  -2.368  -9.619 -14.053
  803   1HD1  ILE  79           1HD      ILE  79  -0.866  -8.748 -11.782
  804   2HD1  ILE  79           2HD      ILE  79  -0.629  -8.761 -13.528
  805   3HD1  ILE  79           3HD      ILE  79   0.174  -7.548 -12.543
  806    QG1  ILE  79           QG1      ILE  79  -1.897  -6.562 -12.844
  807    QG2  ILE  79           QG2      ILE  79  -3.164  -9.134 -14.452
  808    QD1  ILE  79           QD1      ILE  79  -0.440  -8.352 -12.618
  809    H    ASN  80           HN       ASN  80  -5.870  -6.505 -11.295
  810    HA   ASN  80           HA       ASN  80  -8.370  -7.712 -11.738
  811   1HB   ASN  80           2HB      ASN  80  -6.663  -9.749 -11.135
  812   2HB   ASN  80           3HB      ASN  80  -7.030  -9.208  -9.498
  813   1HD2  ASN  80           2HD      ASN  80  -9.646 -11.694 -10.728
  814   2HD2  ASN  80           1HD      ASN  80  -7.951 -11.769 -10.721
  815    QB   ASN  80           QB       ASN  80  -6.847  -9.479 -10.316
  816    QD2  ASN  80           QD2      ASN  80  -8.799 -11.732 -10.724
  817    H    ASN  81           HN       ASN  81  -9.746  -7.026  -9.929
  818    HA   ASN  81           HA       ASN  81  -8.327  -5.040  -8.190
  819   1HB   ASN  81           2HB      ASN  81 -10.154  -4.230  -9.778
  820   2HB   ASN  81           3HB      ASN  81 -11.293  -5.116  -8.773
  821   1HD2  ASN  81                 ASN  81  -9.452  -1.809  -7.147
  822   2HD2  ASN  81           1HD      ASN  81  -8.680  -2.642  -8.412
  823    QB   ASN  81           QB       ASN  81 -10.723  -4.673  -9.275
  824    QD2  ASN  81           QD2      ASN  81  -9.066  -2.226  -7.780
   
  Start of MODEL          20
 Raw file had 824 H/Q atoms
  Start of MODEL   20
    1   1H    HIS   1           HN2      HIS   1   3.887   7.874 -20.487
    2   2H    HIS   1           HN3      HIS   1   2.948   6.509 -20.486
    3   3H    HIS   1           HN1      HIS   1   3.135   7.387 -19.095
    4    HA   HIS   1           HA       HIS   1   4.838   6.129 -18.515
    5   1HB   HIS   1           2HB      HIS   1   5.499   4.859 -21.058
    6   2HB   HIS   1           3HB      HIS   1   5.005   4.124 -19.557
    7    HD1  HIS   1           HD1      HIS   1   2.261   4.521 -19.183
    8    HD2  HIS   1           HD2      HIS   1   3.617   4.362 -23.069
    9    HE1  HIS   1           HE1      HIS   1   0.253   4.095 -20.625
   10    QB   HIS   1           QB       HIS   1   5.252   4.492 -20.307
   11    H    HIS   2           HN       HIS   2   7.005   6.539 -18.419
   12    HA   HIS   2           HA       HIS   2   8.542   8.478 -18.847
   13   1HB   HIS   2           2HB      HIS   2   9.471   6.192 -18.654
   14   2HB   HIS   2           3HB      HIS   2   9.320   5.988 -20.375
   15    HD1  HIS   2           HD1      HIS   2  10.736   7.866 -21.764
   16    HD2  HIS   2           HD2      HIS   2  11.962   7.220 -17.882
   17    HE1  HIS   2           HE1      HIS   2  13.078   8.764 -21.587
   18    QB   HIS   2           QB       HIS   2   9.395   6.090 -19.514
   19    H    SER   3           HN       SER   3   8.158   6.721 -21.896
   20    HA   SER   3           HA       SER   3   8.158   9.344 -23.335
   21   1HB   SER   3           2HB      SER   3   9.405   6.719 -24.271
   22   2HB   SER   3           3HB      SER   3   9.394   8.248 -25.174
   23    HG   SER   3           HG       SER   3  10.971   8.911 -23.950
   24    QB   SER   3           QB       SER   3   9.399   7.484 -24.723
   25    H    GLY   4           HN       GLY   4   5.821   8.923 -22.816
   26   1HA   GLY   4           1HA      GLY   4   4.274   8.401 -25.040
   27   2HA   GLY   4           2HA      GLY   4   4.494   6.798 -24.337
   28    QA   GLY   4           QA       GLY   4   4.383   7.600 -24.689
   29    H    GLU   5           HN       GLU   5   3.419  10.064 -23.594
   30    HA   GLU   5           HA       GLU   5   2.011   9.252 -21.183
   31   1HB   GLU   5           2HB      GLU   5   2.186  11.796 -22.808
   32   2HB   GLU   5           3HB      GLU   5   1.053  11.661 -21.472
   33   1HG   GLU   5           2HG      GLU   5   3.570  12.557 -21.114
   34   2HG   GLU   5           3HG      GLU   5   2.735  11.643 -19.870
   35    QB   GLU   5           QB       GLU   5   1.620  11.728 -22.140
   36    QG   GLU   5           QG       GLU   5   3.152  12.100 -20.492
   37    H    HIS   6           HN       HIS   6   1.073   7.495 -22.520
   38    HA   HIS   6           HA       HIS   6  -1.205   8.145 -24.237
   39   1HB   HIS   6           2HB      HIS   6  -0.530   5.497 -22.929
   40   2HB   HIS   6           3HB      HIS   6  -1.496   5.747 -24.359
   41    HD1  HIS   6           HD1      HIS   6   0.919   3.934 -24.395
   42    HD2  HIS   6           HD2      HIS   6   1.144   7.872 -25.566
   43    HE1  HIS   6           HE1      HIS   6   2.896   4.107 -25.948
   44    QB   HIS   6           QB       HIS   6  -1.013   5.622 -23.643
   45    H    PHE   7           HN       PHE   7  -1.704   9.551 -22.132
   46    HA   PHE   7           HA       PHE   7  -3.288  10.013 -20.455
   47   1HB   PHE   7           2HB      PHE   7  -4.651   7.401 -21.156
   48   2HB   PHE   7           3HB      PHE   7  -5.385   8.902 -20.613
   49    HD1  PHE   7          2HD       PHE   7  -3.761  10.756 -22.526
   50    HD2  PHE   7          1HD       PHE   7  -5.947   7.153 -23.176
   51    HE1  PHE   7          2HE       PHE   7  -4.081  11.370 -24.874
   52    HE2  PHE   7          1HE       PHE   7  -6.257   7.774 -25.528
   53    HZ   PHE   7           HZ       PHE   7  -5.338   9.887 -26.381
   54    QB   PHE   7           QB       PHE   7  -5.017   8.151 -20.885
   55    QR   PHE   7           QR       PHE   7  -5.011   9.264 -24.026
   56    H    GLU   8           HN       GLU   8  -0.989   8.929 -19.585
   57    HA   GLU   8           HA       GLU   8  -1.744   6.790 -17.641
   58   1HB   GLU   8           2HB      GLU   8   0.151   6.338 -19.188
   59   2HB   GLU   8           3HB      GLU   8   0.984   7.756 -18.581
   60   1HG   GLU   8           2HG      GLU   8   0.629   6.516 -16.214
   61   2HG   GLU   8           3HG      GLU   8   0.530   5.098 -17.246
   62    QB   GLU   8           QB       GLU   8   0.568   7.047 -18.883
   63    QG   GLU   8           QG       GLU   8   0.579   5.807 -16.730
   64    H    GLY   9           HN       GLY   9   1.107   8.331 -16.746
   65   1HA   GLY   9           1HA      GLY   9   1.595  10.041 -15.169
   66   2HA   GLY   9           2HA      GLY   9  -0.105  10.519 -15.198
   67    QA   GLY   9           QA       GLY   9   0.746  10.280 -15.183
   68    H    GLU  10           HN       GLU  10  -1.603   8.784 -14.297
   69    HA   GLU  10           HA       GLU  10  -0.426   7.861 -11.725
   70   1HB   GLU  10           2HB      GLU  10  -2.793   7.827 -10.908
   71   2HB   GLU  10           3HB      GLU  10  -2.272   9.424 -11.420
   72   1HG   GLU  10           2HG      GLU  10  -3.553   9.367 -13.391
   73   2HG   GLU  10           3HG      GLU  10  -3.681   7.610 -13.375
   74    QB   GLU  10           QB       GLU  10  -2.533   8.625 -11.164
   75    QG   GLU  10           QG       GLU  10  -3.617   8.489 -13.383
   76    H    LYS  11           HN       LYS  11  -1.298   5.871 -10.822
   77    HA   LYS  11           HA       LYS  11  -2.411   3.912 -12.722
   78   1HB   LYS  11           2HB      LYS  11   0.320   3.601 -11.405
   79   2HB   LYS  11           3HB      LYS  11  -0.569   2.250 -12.091
   80   1HG   LYS  11           2HG      LYS  11  -0.578   3.358 -14.307
   81   2HG   LYS  11           3HG      LYS  11   0.275   4.739 -13.634
   82   1HD   LYS  11           2HD      LYS  11   1.423   1.935 -13.474
   83   2HD   LYS  11           3HD      LYS  11   1.692   2.968 -14.870
   84   1HE   LYS  11           2HE      LYS  11   2.587   4.738 -13.315
   85   2HE   LYS  11           3HE      LYS  11   2.464   3.582 -11.995
   86   1HZ   LYS  11           2HZ      LYS  11   3.844   2.317 -14.068
   87   2HZ   LYS  11           3HZ      LYS  11   4.523   3.862 -13.895
   88   3HZ   LYS  11           1HZ      LYS  11   4.465   2.807 -12.562
   89    QB   LYS  11           QB       LYS  11  -0.124   2.925 -11.748
   90    QG   LYS  11           QG       LYS  11  -0.152   4.048 -13.971
   91    QD   LYS  11           QD       LYS  11   1.558   2.451 -14.173
   92    QE   LYS  11           QE       LYS  11   2.526   4.160 -12.655
   93    QZ   LYS  11           QZ       LYS  11   4.277   2.995 -13.509
   94    H    VAL  12           HN       VAL  12  -2.932   1.845 -11.544
   95    HA   VAL  12           HA       VAL  12  -3.606   2.348  -8.719
   96    HB   VAL  12           HB       VAL  12  -5.194   0.369  -9.402
   97   1HG1  VAL  12           1HG      VAL  12  -5.659   3.213 -10.327
   98   2HG1  VAL  12           2HG      VAL  12  -6.935   2.012 -10.125
   99   3HG1  VAL  12           3HG      VAL  12  -6.026   2.573  -8.725
  100   1HG2  VAL  12           2HG      VAL  12  -4.236  -0.010 -11.624
  101   2HG2  VAL  12           3HG      VAL  12  -5.940   0.407 -11.718
  102   3HG2  VAL  12           1HG      VAL  12  -4.725   1.615 -12.099
  103    QG1  VAL  12           QG1      VAL  12  -6.207   2.599  -9.726
  104    QG2  VAL  12           QG2      VAL  12  -4.967   0.671 -11.814
  105    QQG  VAL  12           QQG      VAL  12  -5.586   1.635 -10.770
  106    H    PHE  13           HN       PHE  13  -3.030   0.764  -7.250
  107    HA   PHE  13           HA       PHE  13  -1.776  -1.748  -8.268
  108   1HB   PHE  13           2HB      PHE  13  -0.512   0.144  -6.249
  109   2HB   PHE  13           3HB      PHE  13   0.085  -1.469  -6.613
  110    HD1  PHE  13          2HD       PHE  13   0.630  -1.939  -9.124
  111    HD2  PHE  13          1HD       PHE  13   0.299   1.970  -7.503
  112    HE1  PHE  13          2HE       PHE  13   2.024  -1.069 -10.948
  113    HE2  PHE  13          1HE       PHE  13   1.678   2.854  -9.330
  114    HZ   PHE  13           HZ       PHE  13   2.591   1.322 -11.034
  115    QB   PHE  13           QB       PHE  13  -0.215  -0.662  -6.431
  116    QR   PHE  13           QR       PHE  13   1.158   0.453  -9.226
  117    NH1  ARG  14           NH1      ARG  14  -5.844  -8.629  -8.230
  118    NH2  ARG  14           NH2      ARG  14  -7.140  -8.735  -6.395
  119    H    ARG  14           HN       ARG  14  -2.032  -3.511  -6.765
  120    HA   ARG  14           HA       ARG  14  -3.450  -2.761  -4.294
  121   1HB   ARG  14           2HB      ARG  14  -4.924  -4.480  -4.595
  122   2HB   ARG  14           3HB      ARG  14  -4.752  -3.923  -6.214
  123   1HG   ARG  14           2HG      ARG  14  -3.621  -5.843  -6.880
  124   2HG   ARG  14           3HG      ARG  14  -3.082  -6.222  -5.239
  125   1HD   ARG  14           2HD      ARG  14  -5.305  -6.810  -4.534
  126   2HD   ARG  14           3HD      ARG  14  -6.022  -6.136  -6.001
  127    HE   ARG  14           HE       ARG  14  -4.178  -8.460  -6.209
  128   1HH1  ARG  14           2HH      ARG  14  -4.944  -8.460  -8.645
  129   2HH1  ARG  14           1HH      ARG  14  -6.609  -8.944  -8.799
  130   1HH2  ARG  14           2HH      ARG  14  -7.253  -8.608  -5.414
  131   2HH2  ARG  14           1HH      ARG  14  -7.903  -9.108  -6.961
  132    QB   ARG  14           QB       ARG  14  -4.838  -4.201  -5.405
  133    QG   ARG  14           QG       ARG  14  -3.352  -6.033  -6.060
  134    QD   ARG  14           QD       ARG  14  -5.664  -6.472  -5.267
  135    QH1  ARG  14           QH1      ARG  14  -5.777  -8.702  -8.722
  136    QH2  ARG  14           QH2      ARG  14  -7.578  -8.857  -6.188
  137    H    VAL  15           HN       VAL  15  -2.888  -3.842  -2.447
  138    HA   VAL  15           HA       VAL  15  -0.347  -5.422  -2.651
  139    HB   VAL  15           HB       VAL  15  -1.326  -4.032  -0.143
  140   1HG1  VAL  15           2HG      VAL  15   0.564  -5.628   0.016
  141   2HG1  VAL  15           3HG      VAL  15   1.442  -4.715  -1.205
  142   3HG1  VAL  15           1HG      VAL  15   1.097  -3.987   0.363
  143   1HG2  VAL  15           3HG      VAL  15   0.296  -2.771  -2.386
  144   2HG2  VAL  15           1HG      VAL  15  -1.327  -2.293  -1.896
  145   3HG2  VAL  15           2HG      VAL  15   0.032  -2.048  -0.804
  146    QG1  VAL  15           QG1      VAL  15   1.034  -4.776  -0.275
  147    QG2  VAL  15           QG2      VAL  15  -0.333  -2.371  -1.695
  148    QQG  VAL  15           QQG      VAL  15   0.351  -3.573  -0.985
  149    H    ASN  16           HN       ASN  16  -0.329  -7.432  -1.629
  150    HA   ASN  16           HA       ASN  16  -2.993  -8.373  -0.673
  151   1HB   ASN  16           2HB      ASN  16  -0.549 -10.072  -1.256
  152   2HB   ASN  16           3HB      ASN  16  -2.230 -10.566  -1.237
  153   1HD2  ASN  16           2HD      ASN  16  -0.605  -9.191  -4.644
  154   2HD2  ASN  16           1HD      ASN  16   0.311  -9.432  -3.232
  155    QB   ASN  16           QB       ASN  16  -1.389 -10.318  -1.247
  156    QD2  ASN  16           QD2      ASN  16  -0.147  -9.311  -3.938
  157    H    VAL  17           HN       VAL  17  -3.163  -8.319   1.565
  158    HA   VAL  17           HA       VAL  17  -0.613  -8.266   3.106
  159    HB   VAL  17           HB       VAL  17  -3.476  -7.602   3.902
  160   1HG1  VAL  17           2HG      VAL  17  -2.109  -8.450   5.815
  161   2HG1  VAL  17           3HG      VAL  17  -0.889  -7.235   5.461
  162   3HG1  VAL  17           1HG      VAL  17  -2.493  -6.745   5.982
  163   1HG2  VAL  17           2HG      VAL  17  -1.060  -5.840   3.393
  164   2HG2  VAL  17           3HG      VAL  17  -2.469  -5.977   2.350
  165   3HG2  VAL  17           1HG      VAL  17  -2.631  -5.276   3.957
  166    QG1  VAL  17           QG1      VAL  17  -1.831  -7.477   5.753
  167    QG2  VAL  17           QG2      VAL  17  -2.053  -5.698   3.233
  168    QQG  VAL  17           QQG      VAL  17  -1.942  -6.587   4.493
  169    H    GLU  18           HN       GLU  18  -0.143  -9.742   4.649
  170    HA   GLU  18           HA       GLU  18  -1.896 -12.126   4.798
  171   1HB   GLU  18           2HB      GLU  18   1.082 -11.717   5.243
  172   2HB   GLU  18           3HB      GLU  18   0.247 -13.201   5.620
  173   1HG   GLU  18           2HG      GLU  18   0.412 -11.903   2.879
  174   2HG   GLU  18           3HG      GLU  18   1.262 -13.358   3.380
  175    QB   GLU  18           QB       GLU  18   0.665 -12.459   5.431
  176    QG   GLU  18           QG       GLU  18   0.836 -12.630   3.129
  177    H    ASP  19           HN       ASP  19   0.285 -10.112   6.813
  178    HA   ASP  19           HA       ASP  19  -1.621 -10.594   9.056
  179   1HB   ASP  19           2HB      ASP  19   0.008 -11.413  10.581
  180   2HB   ASP  19           3HB      ASP  19   0.322 -12.305   9.101
  181    QB   ASP  19           QB       ASP  19   0.165 -11.859   9.842
  182    H    GLU  20           HN       GLU  20   0.635  -9.428  10.782
  183    HA   GLU  20           HA       GLU  20  -0.160  -6.657  10.445
  184   1HB   GLU  20           2HB      GLU  20   1.826  -8.055  12.296
  185   2HB   GLU  20           3HB      GLU  20   1.291  -6.408  12.469
  186   1HG   GLU  20           2HG      GLU  20  -1.055  -7.206  12.799
  187   2HG   GLU  20           3HG      GLU  20  -0.477  -8.866  12.669
  188    QB   GLU  20           QB       GLU  20   1.558  -7.231  12.383
  189    QG   GLU  20           QG       GLU  20  -0.766  -8.036  12.735
  190    H    ASN  21           HN       ASN  21   2.723  -8.601   9.671
  191    HA   ASN  21           HA       ASN  21   4.687  -6.735   9.457
  192   1HB   ASN  21           2HB      ASN  21   3.833  -9.087   7.767
  193   2HB   ASN  21           3HB      ASN  21   5.318  -8.264   7.549
  194   1HD2  ASN  21           2HD      ASN  21   5.167 -11.031  10.355
  195   2HD2  ASN  21           1HD      ASN  21   4.004 -10.857   9.131
  196    QB   ASN  21           QB       ASN  21   4.575  -8.675   7.659
  197    QD2  ASN  21           QD2      ASN  21   4.585 -10.945   9.743
  198    H    ASP  22           HN       ASP  22   2.847  -7.740   6.582
  199    HA   ASP  22           HA       ASP  22   3.660  -5.605   4.930
  200   1HB   ASP  22           2HB      ASP  22   2.233  -7.806   4.442
  201   2HB   ASP  22           3HB      ASP  22   0.860  -6.727   4.611
  202    QB   ASP  22           QB       ASP  22   1.547  -7.267   4.527
  203    H    ILE  23           HN       ILE  23   0.917  -5.637   7.259
  204    HA   ILE  23           HA       ILE  23  -0.127  -3.111   6.270
  205    HB   ILE  23           HB       ILE  23  -0.317  -4.194   9.117
  206   1HG1  ILE  23           2HG      ILE  23  -2.278  -4.488   6.806
  207   2HG1  ILE  23           3HG      ILE  23  -1.158  -5.750   7.295
  208   1HG2  ILE  23           2HG      ILE  23  -0.873  -1.762   8.807
  209   2HG2  ILE  23           3HG      ILE  23  -2.030  -2.197   7.556
  210   3HG2  ILE  23           1HG      ILE  23  -2.304  -2.697   9.222
  211   1HD1  ILE  23           1HD      ILE  23  -3.292  -4.527   9.080
  212   2HD1  ILE  23           2HD      ILE  23  -3.382  -6.103   8.305
  213   3HD1  ILE  23           3HD      ILE  23  -2.173  -5.803   9.550
  214    QG1  ILE  23           QG1      ILE  23  -1.718  -5.119   7.050
  215    QG2  ILE  23           QG2      ILE  23  -1.735  -2.219   8.529
  216    QD1  ILE  23           QD1      ILE  23  -2.949  -5.478   8.979
  217    H    SER  24           HN       SER  24   2.156  -3.968   8.822
  218    HA   SER  24           HA       SER  24   2.628  -1.352   9.842
  219   1HB   SER  24           2HB      SER  24   4.539  -3.725   9.636
  220   2HB   SER  24           3HB      SER  24   4.750  -2.318  10.702
  221    HG   SER  24           HG       SER  24   2.827  -4.368  10.771
  222    QB   SER  24           QB       SER  24   4.644  -3.022  10.169
  223    H    GLU  25           HN       GLU  25   4.169  -3.156   7.243
  224    HA   GLU  25           HA       GLU  25   6.035  -1.108   6.453
  225   1HB   GLU  25           2HB      GLU  25   4.687  -3.204   4.701
  226   2HB   GLU  25           3HB      GLU  25   6.245  -2.460   4.419
  227   1HG   GLU  25           2HG      GLU  25   5.527  -4.427   6.604
  228   2HG   GLU  25           3HG      GLU  25   6.690  -4.638   5.319
  229    QB   GLU  25           QB       GLU  25   5.466  -2.832   4.560
  230    QG   GLU  25           QG       GLU  25   6.108  -4.532   5.962
  231    H    LEU  26           HN       LEU  26   3.002  -2.064   4.785
  232    HA   LEU  26           HA       LEU  26   2.831  -0.037   2.930
  233   1HB   LEU  26           2HB      LEU  26   1.337  -1.942   2.917
  234   2HB   LEU  26           3HB      LEU  26   0.743  -1.563   4.527
  235    HG   LEU  26           HG       LEU  26   0.035   0.672   3.484
  236   1HD1  LEU  26           3HD      LEU  26   0.256  -1.034   0.986
  237   2HD1  LEU  26           1HD      LEU  26  -0.543   0.534   1.062
  238   3HD1  LEU  26           2HD      LEU  26   1.192   0.420   1.327
  239   1HD2  LEU  26           2HD      LEU  26  -1.383  -1.915   2.782
  240   2HD2  LEU  26           3HD      LEU  26  -1.566  -1.000   4.276
  241   3HD2  LEU  26           1HD      LEU  26  -2.146  -0.326   2.757
  242    QB   LEU  26           QB       LEU  26   1.040  -1.753   3.721
  243    QD1  LEU  26           QD1      LEU  26   0.302  -0.027   1.125
  244    QD2  LEU  26           QD2      LEU  26  -1.698  -1.080   3.271
  245    QQD  LEU  26           QQD      LEU  26  -0.698  -0.553   2.198
  246    H    HIS  27           HN       HIS  27   1.945   0.001   6.335
  247    HA   HIS  27           HA       HIS  27   0.510   2.449   6.377
  248   1HB   HIS  27           2HB      HIS  27   1.574   0.641   8.308
  249   2HB   HIS  27           3HB      HIS  27   2.073   2.239   8.774
  250    HD1  HIS  27           HD1      HIS  27  -0.288   3.865   8.050
  251    HD2  HIS  27           HD2      HIS  27  -0.729   0.208   9.879
  252    HE1  HIS  27           HE1      HIS  27  -2.551   3.870   9.154
  253    QB   HIS  27           QB       HIS  27   1.822   1.440   8.541
  254    H    GLU  28           HN       GLU  28   3.995   1.931   6.488
  255    HA   GLU  28           HA       GLU  28   4.754   4.559   7.243
  256   1HB   GLU  28           2HB      GLU  28   6.290   2.598   7.131
  257   2HB   GLU  28           3HB      GLU  28   6.238   2.645   5.380
  258   1HG   GLU  28           2HG      GLU  28   6.949   5.182   5.729
  259   2HG   GLU  28           3HG      GLU  28   7.435   4.631   7.327
  260    QB   GLU  28           QB       GLU  28   6.264   2.621   6.255
  261    QG   GLU  28           QG       GLU  28   7.192   4.907   6.528
  262    H    LEU  29           HN       LEU  29   3.642   3.275   4.189
  263    HA   LEU  29           HA       LEU  29   4.453   5.522   2.558
  264   1HB   LEU  29           2HB      LEU  29   3.904   3.326   1.561
  265   2HB   LEU  29           3HB      LEU  29   2.247   3.470   2.125
  266    HG   LEU  29           HG       LEU  29   1.917   5.465   0.701
  267   1HD1  LEU  29           1HD      LEU  29   4.771   4.937  -0.204
  268   2HD1  LEU  29           2HD      LEU  29   3.665   6.077  -0.967
  269   3HD1  LEU  29           3HD      LEU  29   4.206   6.355   0.680
  270   1HD2  LEU  29           3HD      LEU  29   3.098   3.104  -0.805
  271   2HD2  LEU  29           1HD      LEU  29   1.430   3.245  -0.264
  272   3HD2  LEU  29           2HD      LEU  29   2.044   4.328  -1.509
  273    QB   LEU  29           QB       LEU  29   3.076   3.398   1.843
  274    QD1  LEU  29           QD1      LEU  29   4.214   5.790  -0.163
  275    QD2  LEU  29           QD2      LEU  29   2.191   3.559  -0.860
  276    QQD  LEU  29           QQD      LEU  29   3.203   4.674  -0.511
  277    H    ALA  30           HN       ALA  30   2.030   5.001   4.874
  278    HA   ALA  30           HA       ALA  30   0.470   7.395   3.970
  279   1HB   ALA  30           3HB      ALA  30  -0.846   5.328   4.517
  280   2HB   ALA  30           1HB      ALA  30  -0.157   5.336   6.137
  281   3HB   ALA  30           2HB      ALA  30  -1.222   6.643   5.628
  282    QB   ALA  30           QB       ALA  30  -0.742   5.769   5.427
  283    H    SER  31           HN       SER  31   3.174   6.977   5.401
  284    HA   SER  31           HA       SER  31   2.674   8.932   7.616
  285   1HB   SER  31           2HB      SER  31   3.261   6.639   8.472
  286   2HB   SER  31           3HB      SER  31   4.791   6.737   7.584
  287    HG   SER  31           HG       SER  31   4.663   9.017   8.789
  288    QB   SER  31           QB       SER  31   4.026   6.688   8.028
  289    H    THR  32           HN       THR  32   4.597   8.048   4.870
  290    HA   THR  32           HA       THR  32   6.511  10.270   5.407
  291    HB   THR  32           HB       THR  32   7.757   9.074   3.459
  292    HG1  THR  32          1HG       THR  32   6.180   6.861   4.000
  293   1HG2  THR  32           2HG      THR  32   6.991   7.342   5.869
  294   2HG2  THR  32           3HG      THR  32   8.406   7.114   4.845
  295   3HG2  THR  32           1HG      THR  32   8.288   8.530   5.885
  296    QG2  THR  32           QG2      THR  32   7.895   7.662   5.533
  297    NH1  ARG  33           NH1      ARG  33   2.519  12.125  -3.264
  298    NH2  ARG  33           NH2      ARG  33   3.861  12.969  -4.912
  299    H    ARG  33           HN       ARG  33   4.837   8.900   2.586
  300    HA   ARG  33           HA       ARG  33   4.648  11.676   1.458
  301   1HB   ARG  33           2HB      ARG  33   5.912   9.630   0.267
  302   2HB   ARG  33           3HB      ARG  33   4.280   9.198  -0.221
  303   1HG   ARG  33           2HG      ARG  33   4.326  11.906  -0.771
  304   2HG   ARG  33           3HG      ARG  33   5.984  11.453  -1.101
  305   1HD   ARG  33           2HD      ARG  33   5.193   9.649  -2.614
  306   2HD   ARG  33           3HD      ARG  33   3.525  10.136  -2.320
  307    HE   ARG  33           HE       ARG  33   5.614  11.756  -3.738
  308   1HH1  ARG  33           2HH      ARG  33   2.379  11.498  -2.499
  309   2HH1  ARG  33           1HH      ARG  33   1.742  12.689  -3.572
  310   1HH2  ARG  33           2HH      ARG  33   4.773  13.039  -5.344
  311   2HH2  ARG  33           1HH      ARG  33   3.100  13.486  -5.294
  312    QB   ARG  33           QB       ARG  33   5.096   9.414   0.023
  313    QG   ARG  33           QG       ARG  33   5.155  11.680  -0.935
  314    QD   ARG  33           QD       ARG  33   4.359   9.892  -2.467
  315    QH1  ARG  33           QH1      ARG  33   2.060  12.093  -3.035
  316    QH2  ARG  33           QH2      ARG  33   3.937  13.263  -5.320
  317    H    GLN  34           HN       GLN  34   2.658  11.728  -0.145
  318    HA   GLN  34           HA       GLN  34   0.338  10.607   1.362
  319   1HB   GLN  34           2HB      GLN  34   0.401  12.841  -0.708
  320   2HB   GLN  34           3HB      GLN  34  -1.001  12.342   0.227
  321   1HG   GLN  34           2HG      GLN  34   0.298  12.904   2.332
  322   2HG   GLN  34           3HG      GLN  34   1.556  13.580   1.303
  323   1HE2  GLN  34           2HE      GLN  34  -1.080  16.174   2.308
  324   2HE2  GLN  34           1HE      GLN  34  -0.331  14.967   3.238
  325    QB   GLN  34           QB       GLN  34  -0.300  12.591  -0.240
  326    QG   GLN  34           QG       GLN  34   0.927  13.242   1.818
  327    QE2  GLN  34           QE2      GLN  34  -0.705  15.571   2.773
  328    H    ILE  35           HN       ILE  35  -1.331   9.570   0.188
  329    HA   ILE  35           HA       ILE  35  -0.789   8.847  -2.638
  330    HB   ILE  35           HB       ILE  35  -1.052   6.446  -2.165
  331   1HG1  ILE  35           2HG      ILE  35  -1.188   7.293   0.765
  332   2HG1  ILE  35           3HG      ILE  35  -2.565   6.711  -0.171
  333   1HG2  ILE  35           1HG      ILE  35   1.216   7.530  -2.022
  334   2HG2  ILE  35           2HG      ILE  35   0.998   7.689  -0.282
  335   3HG2  ILE  35           3HG      ILE  35   1.076   6.097  -1.022
  336   1HD1  ILE  35           3HD      ILE  35  -1.371   4.556  -0.550
  337   2HD1  ILE  35           1HD      ILE  35  -0.042   5.135   0.446
  338   3HD1  ILE  35           2HD      ILE  35  -1.623   4.881   1.161
  339    QG1  ILE  35           QG1      ILE  35  -1.877   7.001   0.297
  340    QG2  ILE  35           QG2      ILE  35   1.097   7.106  -1.109
  341    QD1  ILE  35           QD1      ILE  35  -1.012   4.857   0.352
  342    H    ASP  36           HN       ASP  36  -2.781   6.857  -2.784
  343    HA   ASP  36           HA       ASP  36  -5.311   8.256  -2.020
  344   1HB   ASP  36           2HB      ASP  36  -4.665   8.819  -4.386
  345   2HB   ASP  36           3HB      ASP  36  -4.642   7.110  -4.766
  346    QB   ASP  36           QB       ASP  36  -4.653   7.965  -4.575
  347    H    PHE  37           HN       PHE  37  -6.959   6.761  -1.446
  348    HA   PHE  37           HA       PHE  37  -6.202   3.866  -1.656
  349   1HB   PHE  37           2HB      PHE  37  -7.219   5.437   0.681
  350   2HB   PHE  37           3HB      PHE  37  -7.865   3.812   0.487
  351    HD1  PHE  37          2HD       PHE  37  -5.869   2.065  -0.291
  352    HD2  PHE  37          1HD       PHE  37  -5.349   5.550   2.105
  353    HE1  PHE  37          2HE       PHE  37  -3.749   1.172   0.551
  354    HE2  PHE  37          1HE       PHE  37  -3.247   4.631   2.979
  355    HZ   PHE  37           HZ       PHE  37  -2.445   2.432   2.210
  356    QB   PHE  37           QB       PHE  37  -7.542   4.624   0.584
  357    QR   PHE  37           QR       PHE  37  -4.554   3.354   1.336
  358    CH2  TRP  38           CH2      TRP  38 -11.042   1.210  -9.522
  359    H    TRP  38           HN       TRP  38  -7.751   2.490  -2.423
  360    HA   TRP  38           HA       TRP  38 -10.321   3.799  -3.238
  361   1HB   TRP  38           2HB      TRP  38  -8.623   3.087  -4.996
  362   2HB   TRP  38           3HB      TRP  38  -8.962   1.444  -4.550
  363    HD1  TRP  38           HD1      TRP  38 -12.221   3.213  -4.494
  364    HE1  TRP  38           HE1      TRP  38 -13.495   2.864  -6.625
  365    HE3  TRP  38           HE3      TRP  38  -8.498   1.367  -7.265
  366    HZ2  TRP  38           HZ2      TRP  38 -13.052   1.866  -9.189
  367    HZ3  TRP  38           HZ3      TRP  38  -8.977   0.656  -9.595
  368    HH2  TRP  38           HH2      TRP  38 -11.232   0.899 -10.539
  369    QB   TRP  38           QB       TRP  38  -8.793   2.265  -4.773
  370    H    LYS  39           HN       LYS  39  -8.954   0.585  -2.417
  371    HA   LYS  39           HA       LYS  39 -11.482   0.005  -0.931
  372   1HB   LYS  39           2HB      LYS  39 -10.217  -2.256  -2.452
  373   2HB   LYS  39           3HB      LYS  39 -11.897  -2.028  -2.000
  374   1HG   LYS  39           2HG      LYS  39 -12.221  -0.389  -3.775
  375   2HG   LYS  39           3HG      LYS  39 -10.504  -0.412  -4.162
  376   1HD   LYS  39           2HD      LYS  39 -10.749  -2.928  -4.587
  377   2HD   LYS  39           3HD      LYS  39 -12.485  -2.698  -4.456
  378   1HE   LYS  39           2HE      LYS  39 -11.755  -2.675  -6.817
  379   2HE   LYS  39           3HE      LYS  39 -12.451  -1.130  -6.349
  380   1HZ   LYS  39           1HZ      LYS  39  -9.759  -0.913  -5.793
  381   2HZ   LYS  39           2HZ      LYS  39  -9.814  -1.711  -7.273
  382   3HZ   LYS  39           3HZ      LYS  39 -10.587  -0.208  -7.093
  383    QB   LYS  39           QB       LYS  39 -11.057  -2.142  -2.226
  384    QG   LYS  39           QG       LYS  39 -11.362  -0.400  -3.969
  385    QD   LYS  39           QD       LYS  39 -11.617  -2.813  -4.522
  386    QE   LYS  39           QE       LYS  39 -12.103  -1.903  -6.583
  387    QZ   LYS  39           QZ       LYS  39 -10.053  -0.944  -6.720
  388    HA   PRO  40           HA       PRO  40 -12.263  -1.448   0.221
  389   1HB   PRO  40           2HB      PRO  40 -12.170  -2.396   2.958
  390   2HB   PRO  40           3HB      PRO  40 -12.679  -3.282   1.519
  391   1HG   PRO  40           2HG      PRO  40 -10.365  -3.827   3.010
  392   2HG   PRO  40           3HG      PRO  40 -10.640  -4.373   1.351
  393   1HD   PRO  40           2HD      PRO  40  -8.966  -2.084   2.335
  394   2HD   PRO  40           3HD      PRO  40  -8.740  -3.108   0.900
  395    QB   PRO  40           QB       PRO  40 -12.425  -2.839   2.238
  396    QG   PRO  40           QG       PRO  40 -10.502  -4.100   2.180
  397    QD   PRO  40           QD       PRO  40  -8.853  -2.596   1.617
  398    H    ASP  41           HN       ASP  41 -10.525  -0.839   3.231
  399    HA   ASP  41           HA       ASP  41 -12.077   1.678   3.617
  400   1HB   ASP  41           2HB      ASP  41 -11.165   1.393   6.047
  401   2HB   ASP  41           3HB      ASP  41 -12.442   0.313   5.514
  402    QB   ASP  41           QB       ASP  41 -11.804   0.853   5.780
  403    H    SER  42           HN       SER  42  -8.935   0.625   4.869
  404    HA   SER  42           HA       SER  42  -7.058   1.991   3.424
  405   1HB   SER  42           2HB      SER  42  -8.018   4.159   3.463
  406   2HB   SER  42           3HB      SER  42  -8.695   3.937   5.082
  407    HG   SER  42           HG       SER  42  -6.953   4.832   5.794
  408    QB   SER  42           QB       SER  42  -8.357   4.048   4.272
  409    H    VAL  43           HN       VAL  43  -5.085   2.526   4.756
  410    HA   VAL  43           HA       VAL  43  -4.344   0.609   6.497
  411    HB   VAL  43           HB       VAL  43  -2.605   2.195   6.891
  412   1HG1  VAL  43           2HG      VAL  43  -3.607   2.488   4.145
  413   2HG1  VAL  43           3HG      VAL  43  -1.965   2.830   4.665
  414   3HG1  VAL  43           1HG      VAL  43  -2.598   1.184   4.753
  415   1HG2  VAL  43           2HG      VAL  43  -4.379   4.309   5.739
  416   2HG2  VAL  43           3HG      VAL  43  -3.846   4.224   7.416
  417   3HG2  VAL  43           1HG      VAL  43  -2.685   4.547   6.144
  418    QG1  VAL  43           QG1      VAL  43  -2.723   2.168   4.521
  419    QG2  VAL  43           QG2      VAL  43  -3.637   4.360   6.433
  420    QQG  VAL  43           QQG      VAL  43  -3.180   3.264   5.476
  421    H    THR  44           HN       THR  44  -6.017   3.562   6.883
  422    HA   THR  44           HA       THR  44  -5.861   3.686   9.703
  423    HB   THR  44           HB       THR  44  -7.738   5.459   9.323
  424    HG1  THR  44          1HG       THR  44  -8.482   4.132   7.499
  425   1HG2  THR  44           1HG      THR  44  -5.245   6.022   8.970
  426   2HG2  THR  44           2HG      THR  44  -5.446   5.537   7.293
  427   3HG2  THR  44           3HG      THR  44  -6.326   6.921   7.910
  428    QG2  THR  44           QG2      THR  44  -5.672   6.161   8.057
  429    H    GLN  45           HN       GLN  45  -6.415   1.421  10.000
  430    HA   GLN  45           HA       GLN  45  -7.930   0.062  11.259
  431   1HB   GLN  45           2HB      GLN  45 -10.154   1.375   9.648
  432   2HB   GLN  45           3HB      GLN  45 -10.366   0.143  10.874
  433   1HG   GLN  45           2HG      GLN  45  -9.704   1.565  12.638
  434   2HG   GLN  45           3HG      GLN  45  -8.921   2.710  11.555
  435   1HE2  GLN  45           2HE      GLN  45 -12.125   4.028  10.420
  436   2HE2  GLN  45           1HE      GLN  45 -10.682   3.441   9.732
  437    QB   GLN  45           QB       GLN  45 -10.260   0.759  10.261
  438    QG   GLN  45           QG       GLN  45  -9.313   2.138  12.097
  439    QE2  GLN  45           QE2      GLN  45 -11.404   3.735  10.077
  440    H    ILE  46           HN       ILE  46  -6.364  -0.479   8.981
  441    HA   ILE  46           HA       ILE  46  -8.121  -2.049   7.200
  442    HB   ILE  46           HB       ILE  46  -5.765  -0.670   6.790
  443   1HG1  ILE  46           2HG      ILE  46  -6.878  -2.863   5.017
  444   2HG1  ILE  46           3HG      ILE  46  -7.598  -1.267   5.180
  445   1HG2  ILE  46           1HG      ILE  46  -4.433  -2.532   7.766
  446   2HG2  ILE  46           2HG      ILE  46  -5.120  -3.633   6.578
  447   3HG2  ILE  46           3HG      ILE  46  -4.086  -2.312   6.059
  448   1HD1  ILE  46           3HD      ILE  46  -5.457  -0.246   4.414
  449   2HD1  ILE  46           1HD      ILE  46  -4.791  -1.857   4.188
  450   3HD1  ILE  46           2HD      ILE  46  -6.145  -1.324   3.208
  451    QG1  ILE  46           QG1      ILE  46  -7.239  -2.065   5.098
  452    QG2  ILE  46           QG2      ILE  46  -4.547  -2.826   6.801
  453    QD1  ILE  46           QD1      ILE  46  -5.464  -1.143   3.936
  454    H    LYS  47           HN       LYS  47  -7.425  -4.325   6.684
  455    HA   LYS  47           HA       LYS  47  -6.823  -5.724   9.256
  456   1HB   LYS  47           2HB      LYS  47  -8.739  -6.373   7.009
  457   2HB   LYS  47           3HB      LYS  47  -8.163  -7.634   8.072
  458   1HG   LYS  47           2HG      LYS  47 -10.299  -6.789   8.910
  459   2HG   LYS  47           3HG      LYS  47  -9.022  -6.401  10.041
  460   1HD   LYS  47           2HD      LYS  47 -10.600  -4.521   9.731
  461   2HD   LYS  47           3HD      LYS  47  -8.973  -4.079   9.280
  462   1HE   LYS  47           2HE      LYS  47  -9.566  -4.488   6.875
  463   2HE   LYS  47           3HE      LYS  47 -11.203  -4.885   7.372
  464   1HZ   LYS  47           2HZ      LYS  47 -10.529  -2.400   8.497
  465   2HZ   LYS  47           3HZ      LYS  47 -10.103  -2.353   6.850
  466   3HZ   LYS  47           1HZ      LYS  47 -11.684  -2.735   7.289
  467    QB   LYS  47           QB       LYS  47  -8.451  -7.004   7.541
  468    QG   LYS  47           QG       LYS  47  -9.661  -6.596   9.476
  469    QD   LYS  47           QD       LYS  47  -9.787  -4.300   9.506
  470    QE   LYS  47           QE       LYS  47 -10.384  -4.687   7.124
  471    QZ   LYS  47           QZ       LYS  47 -10.772  -2.496   7.546
  472    HA   PRO  48           HA       PRO  48  -3.969  -8.256   6.806
  473   1HB   PRO  48           2HB      PRO  48  -3.814 -10.430   8.513
  474   2HB   PRO  48           3HB      PRO  48  -2.896  -8.935   8.713
  475   1HG   PRO  48           2HG      PRO  48  -5.224  -9.921  10.267
  476   2HG   PRO  48           3HG      PRO  48  -3.997  -8.737  10.731
  477   1HD   PRO  48           2HD      PRO  48  -6.675  -8.198   9.825
  478   2HD   PRO  48           3HD      PRO  48  -5.402  -7.010  10.163
  479    QB   PRO  48           QB       PRO  48  -3.355  -9.682   8.613
  480    QG   PRO  48           QG       PRO  48  -4.611  -9.329  10.499
  481    QD   PRO  48           QD       PRO  48  -6.039  -7.605   9.994
  482    H    HIS  49           HN       HIS  49  -3.872 -10.783   6.237
  483    HA   HIS  49           HA       HIS  49  -4.887 -12.439   4.900
  484   1HB   HIS  49           2HB      HIS  49  -6.922 -12.046   7.104
  485   2HB   HIS  49           3HB      HIS  49  -7.198 -13.194   5.829
  486    HD1  HIS  49           HD1      HIS  49  -7.225 -14.643   8.151
  487    HD2  HIS  49           HD2      HIS  49  -3.516 -13.601   6.686
  488    HE1  HIS  49           HE1      HIS  49  -5.572 -16.241   9.185
  489    QB   HIS  49           QB       HIS  49  -7.060 -12.620   6.466
  490    H    SER  50           HN       SER  50  -5.378  -9.583   4.324
  491    HA   SER  50           HA       SER  50  -7.775  -9.897   2.587
  492   1HB   SER  50           2HB      SER  50  -7.206  -7.431   4.287
  493   2HB   SER  50           3HB      SER  50  -8.572  -7.635   3.178
  494    HG   SER  50           HG       SER  50  -8.006  -9.538   5.209
  495    QB   SER  50           QB       SER  50  -7.888  -7.532   3.733
  496    H    THR  51           HN       THR  51  -7.815  -8.170   0.870
  497    HA   THR  51           HA       THR  51  -5.038  -7.498   0.016
  498    HB   THR  51           HB       THR  51  -6.578  -7.145  -2.227
  499    HG1  THR  51          1HG       THR  51  -8.498  -7.988  -1.854
  500   1HG2  THR  51           1HG      THR  51  -5.904  -9.917  -1.120
  501   2HG2  THR  51           2HG      THR  51  -6.157  -9.514  -2.814
  502   3HG2  THR  51           3HG      THR  51  -4.743  -8.899  -1.967
  503    QG2  THR  51           QG2      THR  51  -5.601  -9.444  -1.967
  504    H    VAL  52           HN       VAL  52  -4.560  -5.357  -0.597
  505    HA   VAL  52           HA       VAL  52  -6.628  -3.312   0.086
  506    HB   VAL  52           HB       VAL  52  -3.614  -2.909  -0.006
  507   1HG1  VAL  52           3HG      VAL  52  -5.891  -1.215   1.091
  508   2HG1  VAL  52           1HG      VAL  52  -4.181  -0.822   1.235
  509   3HG1  VAL  52           2HG      VAL  52  -4.939  -0.874  -0.352
  510   1HG2  VAL  52           1HG      VAL  52  -5.391  -3.399   2.417
  511   2HG2  VAL  52           2HG      VAL  52  -4.145  -4.487   1.814
  512   3HG2  VAL  52           3HG      VAL  52  -3.696  -2.920   2.480
  513    QG1  VAL  52           QG1      VAL  52  -5.004  -0.970   0.658
  514    QG2  VAL  52           QG2      VAL  52  -4.410  -3.602   2.237
  515    QQG  VAL  52           QQG      VAL  52  -4.707  -2.286   1.447
  516    H    ASP  53           HN       ASP  53  -7.048  -1.751  -1.405
  517    HA   ASP  53           HA       ASP  53  -5.706  -1.990  -4.080
  518   1HB   ASP  53           2HB      ASP  53  -8.160  -2.882  -3.723
  519   2HB   ASP  53           3HB      ASP  53  -8.590  -1.178  -3.683
  520    QB   ASP  53           QB       ASP  53  -8.375  -2.030  -3.702
  521    H    PHE  54           HN       PHE  54  -4.528  -0.137  -4.342
  522    HA   PHE  54           HA       PHE  54  -5.854   2.427  -3.633
  523   1HB   PHE  54           2HB      PHE  54  -4.124   3.162  -2.208
  524   2HB   PHE  54           3HB      PHE  54  -4.296   1.477  -1.769
  525    HD1  PHE  54          2HD       PHE  54  -2.705  -0.220  -2.856
  526    HD2  PHE  54          1HD       PHE  54  -2.075   3.991  -3.053
  527    HE1  PHE  54          2HE       PHE  54  -0.322  -0.600  -3.296
  528    HE2  PHE  54          1HE       PHE  54   0.311   3.612  -3.487
  529    HZ   PHE  54           HZ       PHE  54   1.190   1.312  -3.598
  530    QB   PHE  54           QB       PHE  54  -4.210   2.319  -1.989
  531    QR   PHE  54           QR       PHE  54  -1.198   1.695  -3.174
  532    NH1  ARG  55           NH2      ARG  55  -5.276   6.552  -9.931
  533    NH2  ARG  55           NH1      ARG  55  -7.108   7.909  -9.842
  534    H    ARG  55           HN       ARG  55  -4.245   4.311  -4.356
  535    HA   ARG  55           HA       ARG  55  -2.895   3.488  -6.876
  536   1HB   ARG  55           2HB      ARG  55  -4.250   5.985  -7.353
  537   2HB   ARG  55           3HB      ARG  55  -4.383   4.475  -8.237
  538   1HG   ARG  55           2HG      ARG  55  -6.064   3.678  -6.544
  539   2HG   ARG  55           3HG      ARG  55  -5.980   5.265  -5.777
  540   1HD   ARG  55           2HD      ARG  55  -6.884   4.674  -8.628
  541   2HD   ARG  55           3HD      ARG  55  -7.882   5.272  -7.301
  542    HE   ARG  55           HE       ARG  55  -6.422   7.351  -7.331
  543   1HH1  ARG  55           2HH      ARG  55  -4.685   5.894  -9.478
  544   2HH1  ARG  55           1HH      ARG  55  -5.084   6.838 -10.877
  545   1HH2  ARG  55           2HH      ARG  55  -7.916   8.227  -9.347
  546   2HH2  ARG  55           1HH      ARG  55  -6.907   8.264 -10.767
  547    QB   ARG  55           QB       ARG  55  -4.316   5.230  -7.795
  548    QG   ARG  55           QG       ARG  55  -6.022   4.471  -6.160
  549    QD   ARG  55           QD       ARG  55  -7.383   4.974  -7.965
  550    QH1  ARG  55           QH2      ARG  55  -4.885   6.366 -10.178
  551    QH2  ARG  55           QH1      ARG  55  -7.412   8.245 -10.057
  552    H    VAL  56           HN       VAL  56  -1.606   5.291  -7.807
  553    HA   VAL  56           HA       VAL  56  -0.527   7.010  -5.595
  554    HB   VAL  56           HB       VAL  56   1.058   6.224  -8.036
  555   1HG1  VAL  56           2HG      VAL  56   1.792   6.891  -5.166
  556   2HG1  VAL  56           3HG      VAL  56   2.951   6.529  -6.444
  557   3HG1  VAL  56           1HG      VAL  56   1.948   7.971  -6.543
  558   1HG2  VAL  56           3HG      VAL  56   0.243   4.096  -7.138
  559   2HG2  VAL  56           1HG      VAL  56   1.972   4.271  -6.859
  560   3HG2  VAL  56           2HG      VAL  56   0.830   4.534  -5.541
  561    QG1  VAL  56           QG1      VAL  56   2.230   7.130  -6.051
  562    QG2  VAL  56           QG2      VAL  56   1.015   4.300  -6.513
  563    QQG  VAL  56           QQG      VAL  56   1.623   5.715  -6.282
  564    H    LYS  57           HN       LYS  57  -2.688   7.893  -7.093
  565    HA   LYS  57           HA       LYS  57  -2.928   9.203  -9.299
  566   1HB   LYS  57           2HB      LYS  57  -3.584  11.353  -8.170
  567   2HB   LYS  57           3HB      LYS  57  -4.320   9.911  -7.504
  568   1HG   LYS  57           2HG      LYS  57  -2.656   9.917  -5.650
  569   2HG   LYS  57           3HG      LYS  57  -1.920  11.362  -6.322
  570   1HD   LYS  57           2HD      LYS  57  -4.177  12.512  -6.131
  571   2HD   LYS  57           3HD      LYS  57  -4.766  11.107  -5.258
  572   1HE   LYS  57           2HE      LYS  57  -2.416  12.846  -4.411
  573   2HE   LYS  57           3HE      LYS  57  -4.028  12.933  -3.722
  574   1HZ   LYS  57           3HZ      LYS  57  -3.197  10.265  -3.629
  575   2HZ   LYS  57           1HZ      LYS  57  -1.917  11.211  -3.039
  576   3HZ   LYS  57           2HZ      LYS  57  -3.466  11.308  -2.317
  577    QB   LYS  57           QB       LYS  57  -3.952  10.632  -7.837
  578    QG   LYS  57           QG       LYS  57  -2.289  10.640  -5.986
  579    QD   LYS  57           QD       LYS  57  -4.471  11.810  -5.695
  580    QE   LYS  57           QE       LYS  57  -3.222  12.889  -4.066
  581    QZ   LYS  57           QZ       LYS  57  -2.860  10.928  -2.995
  582    H    ALA  58           HN       ALA  58  -0.786   9.008 -10.285
  583    HA   ALA  58           HA       ALA  58   1.401   9.787 -10.928
  584   1HB   ALA  58           3HB      ALA  58  -0.294  10.847 -12.361
  585   2HB   ALA  58           1HB      ALA  58  -0.416  12.183 -11.218
  586   3HB   ALA  58           2HB      ALA  58   1.095  11.906 -12.091
  587    QB   ALA  58           QB       ALA  58   0.128  11.646 -11.890
  588    H    GLU  59           HN       GLU  59   1.304   9.833  -8.453
  589    HA   GLU  59           HA       GLU  59   2.517  12.347  -7.413
  590   1HB   GLU  59           2HB      GLU  59   0.909  10.156  -6.176
  591   2HB   GLU  59           3HB      GLU  59   2.195  10.806  -5.183
  592   1HG   GLU  59           2HG      GLU  59   1.246  13.126  -5.580
  593   2HG   GLU  59           3HG      GLU  59  -0.077  12.376  -6.459
  594    QB   GLU  59           QB       GLU  59   1.552  10.481  -5.679
  595    QG   GLU  59           QG       GLU  59   0.584  12.750  -6.020
  596    H    ASP  60           HN       ASP  60   4.406  11.784  -8.580
  597    HA   ASP  60           HA       ASP  60   6.580  10.939  -8.831
  598   1HB   ASP  60           2HB      ASP  60   6.434  10.180  -5.909
  599   2HB   ASP  60           3HB      ASP  60   7.824  10.766  -6.812
  600    QB   ASP  60           QB       ASP  60   7.129  10.474  -6.360
  601    H    ILE  61           HN       ILE  61   4.270   9.230  -9.053
  602    HA   ILE  61           HA       ILE  61   3.765   6.835  -8.482
  603    HB   ILE  61           HB       ILE  61   5.104   7.549 -11.093
  604   1HG1  ILE  61           2HG      ILE  61   3.126   8.782 -10.827
  605   2HG1  ILE  61           3HG      ILE  61   2.780   7.494 -11.961
  606   1HG2  ILE  61           1HG      ILE  61   5.254   5.100 -10.777
  607   2HG2  ILE  61           2HG      ILE  61   3.524   5.025 -10.486
  608   3HG2  ILE  61           3HG      ILE  61   4.142   5.506 -12.063
  609   1HD1  ILE  61           1HD      ILE  61   1.767   6.164 -10.103
  610   2HD1  ILE  61           2HD      ILE  61   2.056   7.527  -9.025
  611   3HD1  ILE  61           3HD      ILE  61   0.944   7.693 -10.361
  612    QG1  ILE  61           QG1      ILE  61   2.954   8.138 -11.394
  613    QG2  ILE  61           QG2      ILE  61   4.307   5.210 -11.109
  614    QD1  ILE  61           QD1      ILE  61   1.589   7.128  -9.830
  615    H    LEU  62           HN       LEU  62   6.943   6.946 -10.014
  616    HA   LEU  62           HA       LEU  62   7.874   4.428  -9.600
  617   1HB   LEU  62           2HB      LEU  62   9.155   6.271 -10.639
  618   2HB   LEU  62           3HB      LEU  62   9.463   6.949  -9.049
  619    HG   LEU  62           HG       LEU  62  10.479   4.635  -8.460
  620   1HD1  LEU  62           2HD      LEU  62   9.536   3.439 -10.420
  621   2HD1  LEU  62           3HD      LEU  62  10.482   4.459 -11.500
  622   3HD1  LEU  62           1HD      LEU  62  11.291   3.342 -10.404
  623   1HD2  LEU  62           1HD      LEU  62  11.821   6.393 -10.549
  624   2HD2  LEU  62           2HD      LEU  62  11.810   6.681  -8.810
  625   3HD2  LEU  62           3HD      LEU  62  12.645   5.277  -9.463
  626    QB   LEU  62           QB       LEU  62   9.309   6.610  -9.844
  627    QD1  LEU  62           QD1      LEU  62  10.436   3.747 -10.775
  628    QD2  LEU  62           QD2      LEU  62  12.093   6.117  -9.607
  629    QQD  LEU  62           QQD      LEU  62  11.264   4.932 -10.192
  630    H    ALA  63           HN       ALA  63   8.045   6.930  -7.086
  631    HA   ALA  63           HA       ALA  63   9.496   5.459  -5.162
  632   1HB   ALA  63           3HB      ALA  63   7.272   7.496  -4.693
  633   2HB   ALA  63           1HB      ALA  63   8.441   6.972  -3.479
  634   3HB   ALA  63           2HB      ALA  63   8.985   7.856  -4.901
  635    QB   ALA  63           QB       ALA  63   8.233   7.441  -4.358
  636    H    VAL  64           HN       VAL  64   6.159   5.062  -6.061
  637    HA   VAL  64           HA       VAL  64   5.634   3.429  -3.651
  638    HB   VAL  64           HB       VAL  64   3.941   4.180  -6.055
  639   1HG1  VAL  64           3HG      VAL  64   3.231   2.341  -3.728
  640   2HG1  VAL  64           1HG      VAL  64   2.102   2.921  -4.945
  641   3HG1  VAL  64           2HG      VAL  64   3.408   1.840  -5.408
  642   1HG2  VAL  64           1HG      VAL  64   3.748   4.710  -3.066
  643   2HG2  VAL  64           2HG      VAL  64   4.215   5.885  -4.290
  644   3HG2  VAL  64           3HG      VAL  64   2.576   5.249  -4.260
  645    QG1  VAL  64           QG1      VAL  64   2.913   2.367  -4.694
  646    QG2  VAL  64           QG2      VAL  64   3.513   5.281  -3.872
  647    QQG  VAL  64           QQG      VAL  64   3.213   3.824  -4.283
  648    H    GLU  65           HN       GLU  65   5.991   3.071  -7.155
  649    HA   GLU  65           HA       GLU  65   5.659   0.251  -7.371
  650   1HB   GLU  65           2HB      GLU  65   7.851   1.801  -8.821
  651   2HB   GLU  65           3HB      GLU  65   6.951   0.413  -9.419
  652   1HG   GLU  65           2HG      GLU  65   4.839   1.876  -9.270
  653   2HG   GLU  65           3HG      GLU  65   5.902   3.243  -8.993
  654    QB   GLU  65           QB       GLU  65   7.401   1.107  -9.120
  655    QG   GLU  65           QG       GLU  65   5.371   2.559  -9.131
  656    H    ASP  66           HN       ASP  66   8.336   2.265  -6.496
  657    HA   ASP  66           HA       ASP  66  10.292   0.295  -5.773
  658   1HB   ASP  66           2HB      ASP  66  11.077   2.581  -6.030
  659   2HB   ASP  66           3HB      ASP  66   9.772   3.218  -5.058
  660    QB   ASP  66           QB       ASP  66  10.425   2.899  -5.544
  661    H    PHE  67           HN       PHE  67   8.578   2.475  -3.573
  662    HA   PHE  67           HA       PHE  67   8.864   1.429  -1.143
  663   1HB   PHE  67           2HB      PHE  67   7.178   3.219  -1.744
  664   2HB   PHE  67           3HB      PHE  67   6.039   1.935  -2.141
  665    HD1  PHE  67          1HD       PHE  67   5.498   0.207  -0.292
  666    HD2  PHE  67          2HD       PHE  67   7.496   3.882   0.527
  667    HE1  PHE  67          1HE       PHE  67   5.122  -0.116   2.111
  668    HE2  PHE  67          2HE       PHE  67   7.102   3.554   2.928
  669    HZ   PHE  67           HZ       PHE  67   5.917   1.546   3.718
  670    QB   PHE  67           QB       PHE  67   6.608   2.577  -1.942
  671    QR   PHE  67           QR       PHE  67   6.304   1.881   1.318
  672    H    LEU  68           HN       LEU  68   6.564  -0.024  -3.445
  673    HA   LEU  68           HA       LEU  68   5.940  -2.206  -1.637
  674   1HB   LEU  68           2HB      LEU  68   5.499  -1.895  -4.636
  675   2HB   LEU  68           3HB      LEU  68   4.872  -3.230  -3.680
  676    HG   LEU  68           HG       LEU  68   4.279  -0.330  -3.006
  677   1HD1  LEU  68           3HD      LEU  68   2.630  -2.271  -4.668
  678   2HD1  LEU  68           1HD      LEU  68   2.095  -0.682  -4.128
  679   3HD1  LEU  68           2HD      LEU  68   3.420  -0.821  -5.274
  680   1HD2  LEU  68           1HD      LEU  68   2.945  -2.973  -2.268
  681   2HD2  LEU  68           2HD      LEU  68   3.933  -1.983  -1.199
  682   3HD2  LEU  68           3HD      LEU  68   2.388  -1.378  -1.772
  683    QB   LEU  68           QB       LEU  68   5.185  -2.563  -4.158
  684    QD1  LEU  68           QD1      LEU  68   2.715  -1.257  -4.690
  685    QD2  LEU  68           QD2      LEU  68   3.088  -2.111  -1.746
  686    QQD  LEU  68           QQD      LEU  68   2.901  -1.684  -3.218
  687    H    GLU  69           HN       GLU  69   7.522  -2.273  -4.816
  688    HA   GLU  69           HA       GLU  69   8.606  -4.843  -4.737
  689   1HB   GLU  69           2HB      GLU  69   9.411  -2.251  -6.022
  690   2HB   GLU  69           3HB      GLU  69  10.532  -3.584  -6.140
  691   1HG   GLU  69           2HG      GLU  69   8.690  -5.014  -7.078
  692   2HG   GLU  69           3HG      GLU  69   7.593  -3.648  -6.931
  693    QB   GLU  69           QB       GLU  69   9.971  -2.917  -6.081
  694    QG   GLU  69           QG       GLU  69   8.141  -4.332  -7.004
  695    H    GLN  70           HN       GLN  70  10.346  -1.930  -3.903
  696    HA   GLN  70           HA       GLN  70  12.717  -2.711  -2.908
  697   1HB   GLN  70           2HB      GLN  70  11.821  -0.392  -2.811
  698   2HB   GLN  70           3HB      GLN  70  10.839  -0.841  -1.422
  699   1HG   GLN  70           2HG      GLN  70  12.899  -1.406  -0.152
  700   2HG   GLN  70           3HG      GLN  70  13.877  -0.968  -1.545
  701   1HE2  GLN  70           2HE      GLN  70  12.296   2.526  -0.860
  702   2HE2  GLN  70           1HE      GLN  70  11.793   1.378  -1.999
  703    QB   GLN  70           QB       GLN  70  11.330  -0.617  -2.117
  704    QG   GLN  70           QG       GLN  70  13.388  -1.187  -0.849
  705    QE2  GLN  70           QE2      GLN  70  12.045   1.952  -1.429
  706    H    ASN  71           HN       ASN  71   9.690  -3.108  -1.033
  707    HA   ASN  71           HA       ASN  71  11.264  -4.798   0.872
  708   1HB   ASN  71           2HB      ASN  71   8.699  -3.280   1.414
  709   2HB   ASN  71           3HB      ASN  71   9.791  -3.992   2.574
  710   1HD2  ASN  71           2HD      ASN  71  10.480  -0.286   1.183
  711   2HD2  ASN  71           1HD      ASN  71   9.111  -1.174   0.728
  712    QB   ASN  71           QB       ASN  71   9.245  -3.636   1.994
  713    QD2  ASN  71           QD2      ASN  71   9.796  -0.729   0.955
  714    H    GLU  72           HN       GLU  72  10.224  -5.911  -1.457
  715    HA   GLU  72           HA       GLU  72   8.533  -7.357  -2.320
  716   1HB   GLU  72           2HB      GLU  72  10.378  -8.616  -0.944
  717   2HB   GLU  72           3HB      GLU  72   9.097  -8.872   0.232
  718   1HG   GLU  72           2HG      GLU  72   7.678  -9.804  -1.683
  719   2HG   GLU  72           3HG      GLU  72   9.135  -9.770  -2.672
  720    QB   GLU  72           QB       GLU  72   9.738  -8.744  -0.356
  721    QG   GLU  72           QG       GLU  72   8.406  -9.787  -2.177
  722    H    LEU  73           HN       LEU  73   7.065  -5.421  -1.359
  723    HA   LEU  73           HA       LEU  73   5.202  -6.348   0.711
  724   1HB   LEU  73           2HB      LEU  73   5.946  -3.873  -0.532
  725   2HB   LEU  73           3HB      LEU  73   4.229  -4.084  -0.804
  726    HG   LEU  73           HG       LEU  73   3.888  -4.427   1.615
  727   1HD1  LEU  73           3HD      LEU  73   6.118  -5.394   2.146
  728   2HD1  LEU  73           1HD      LEU  73   6.857  -3.834   1.832
  729   3HD1  LEU  73           2HD      LEU  73   5.751  -4.032   3.174
  730   1HD2  LEU  73           1HD      LEU  73   5.478  -1.942   0.906
  731   2HD2  LEU  73           2HD      LEU  73   3.732  -2.142   0.752
  732   3HD2  LEU  73           3HD      LEU  73   4.477  -2.116   2.343
  733    QB   LEU  73           QB       LEU  73   5.088  -3.979  -0.668
  734    QD1  LEU  73           QD1      LEU  73   6.242  -4.421   2.384
  735    QD2  LEU  73           QD2      LEU  73   4.563  -2.066   1.334
  736    QQD  LEU  73           QQD      LEU  73   5.402  -3.243   1.859
  737    H    GLN  74           HN       GLN  74   5.060  -8.296  -0.703
  738    HA   GLN  74           HA       GLN  74   4.082  -9.210  -2.853
  739   1HB   GLN  74           2HB      GLN  74   2.060  -9.390  -0.594
  740   2HB   GLN  74           3HB      GLN  74   2.290 -10.527  -1.906
  741   1HG   GLN  74           2HG      GLN  74   3.479 -11.600  -0.214
  742   2HG   GLN  74           3HG      GLN  74   4.770 -10.677  -0.968
  743   1HE2  GLN  74           2HE      GLN  74   3.714  -8.312   2.031
  744   2HE2  GLN  74           1HE      GLN  74   2.922  -8.353   0.530
  745    QB   GLN  74           QB       GLN  74   2.175  -9.959  -1.251
  746    QG   GLN  74           QG       GLN  74   4.125 -11.138  -0.591
  747    QE2  GLN  74           QE2      GLN  74   3.319  -8.333   1.281
  748    OH   TYR  75           OH       TYR  75   6.329  -5.083  -8.663
  749    H    TYR  75           HN       TYR  75   3.668  -7.301  -4.178
  750    HA   TYR  75           HA       TYR  75   0.772  -6.521  -4.155
  751   1HB   TYR  75           2HB      TYR  75   1.391  -4.381  -5.041
  752   2HB   TYR  75           3HB      TYR  75   2.569  -4.693  -3.772
  753    HD1  TYR  75           HD1      TYR  75   4.887  -5.424  -4.377
  754    HD2  TYR  75           HD2      TYR  75   2.057  -4.381  -7.392
  755    HE1  TYR  75           HE1      TYR  75   6.652  -5.498  -6.077
  756    HE2  TYR  75           HE2      TYR  75   3.837  -4.425  -9.072
  757    HH   TYR  75           HH       TYR  75   6.858  -4.263  -8.649
  758    QB   TYR  75           QB       TYR  75   1.980  -4.537  -4.407
  759    QR   TYR  75           QR       TYR  75   4.358  -4.932  -6.730
  760    H    GLU  76           HN       GLU  76   0.115  -5.724  -6.383
  761    HA   GLU  76           HA       GLU  76   1.345  -6.907  -8.724
  762   1HB   GLU  76           2HB      GLU  76  -0.739  -8.352  -9.214
  763   2HB   GLU  76           3HB      GLU  76   0.393  -8.970  -8.016
  764   1HG   GLU  76           2HG      GLU  76  -1.161  -8.877  -6.385
  765   2HG   GLU  76           3HG      GLU  76  -1.571  -7.209  -6.766
  766    QB   GLU  76           QB       GLU  76  -0.173  -8.662  -8.616
  767    QG   GLU  76           QG       GLU  76  -1.366  -8.042  -6.575
  768    H    VAL  77           HN       VAL  77  -0.371  -6.592 -10.635
  769    HA   VAL  77           HA       VAL  77  -1.725  -3.979 -10.073
  770    HB   VAL  77           HB       VAL  77  -0.730  -4.862 -12.793
  771   1HG1  VAL  77           2HG      VAL  77  -1.247  -2.139 -11.532
  772   2HG1  VAL  77           3HG      VAL  77  -0.656  -2.404 -13.172
  773   3HG1  VAL  77           1HG      VAL  77  -2.271  -2.934 -12.723
  774   1HG2  VAL  77           2HG      VAL  77   0.831  -3.327 -10.680
  775   2HG2  VAL  77           3HG      VAL  77   1.203  -4.953 -11.241
  776   3HG2  VAL  77           1HG      VAL  77   1.348  -3.589 -12.340
  777    QG1  VAL  77           QG1      VAL  77  -1.391  -2.492 -12.476
  778    QG2  VAL  77           QG2      VAL  77   1.127  -3.956 -11.420
  779    QQG  VAL  77           QQG      VAL  77  -0.132  -3.224 -11.948
  780    H    LEU  78           HN       LEU  78  -3.300  -6.153  -9.572
  781    HA   LEU  78           HA       LEU  78  -5.262  -7.279 -10.269
  782   1HB   LEU  78           2HB      LEU  78  -5.614  -4.459 -11.325
  783   2HB   LEU  78           3HB      LEU  78  -6.910  -5.643 -11.336
  784    HG   LEU  78           HG       LEU  78  -5.744  -5.676  -8.712
  785   1HD1  LEU  78           1HD      LEU  78  -4.875  -3.418  -9.242
  786   2HD1  LEU  78           2HD      LEU  78  -6.502  -2.894  -9.685
  787   3HD1  LEU  78           3HD      LEU  78  -6.141  -3.344  -8.019
  788   1HD2  LEU  78           2HD      LEU  78  -8.389  -4.563  -9.735
  789   2HD2  LEU  78           3HD      LEU  78  -8.092  -6.241  -9.284
  790   3HD2  LEU  78           1HD      LEU  78  -8.034  -4.975  -8.060
  791    QB   LEU  78           QB       LEU  78  -6.262  -5.051 -11.331
  792    QD1  LEU  78           QD1      LEU  78  -5.839  -3.218  -8.982
  793    QD2  LEU  78           QD2      LEU  78  -8.172  -5.260  -9.027
  794    QQD  LEU  78           QQD      LEU  78  -7.005  -4.240  -9.004
  795    H    ILE  79           HN       ILE  79  -3.427  -8.204 -11.893
  796    HA   ILE  79           HA       ILE  79  -4.485  -7.997 -14.662
  797    HB   ILE  79           HB       ILE  79  -2.225  -9.284 -15.023
  798   1HG1  ILE  79           2HG      ILE  79  -0.466  -8.770 -13.405
  799   2HG1  ILE  79           3HG      ILE  79  -1.615  -7.938 -12.378
  800   1HG2  ILE  79           3HG      ILE  79  -2.309  -6.364 -14.212
  801   2HG2  ILE  79           1HG      ILE  79  -1.024  -7.106 -15.157
  802   3HG2  ILE  79           2HG      ILE  79  -2.651  -7.000 -15.817
  803   1HD1  ILE  79           3HD      ILE  79  -1.774 -10.892 -13.102
  804   2HD1  ILE  79           1HD      ILE  79  -1.122 -10.265 -11.592
  805   3HD1  ILE  79           2HD      ILE  79  -2.822 -10.046 -11.966
  806    QG1  ILE  79           QG1      ILE  79  -1.041  -8.354 -12.891
  807    QG2  ILE  79           QG2      ILE  79  -1.995  -6.824 -15.062
  808    QD1  ILE  79           QD1      ILE  79  -1.906 -10.401 -12.220
  809    H    ASN  80           HN       ASN  80  -5.534  -9.383 -12.338
  810    HA   ASN  80           HA       ASN  80  -5.856 -12.090 -13.472
  811   1HB   ASN  80           2HB      ASN  80  -5.631 -12.961 -11.049
  812   2HB   ASN  80           3HB      ASN  80  -4.135 -12.497 -11.849
  813   1HD2  ASN  80           2HD      ASN  80  -4.076 -10.909  -8.485
  814   2HD2  ASN  80           1HD      ASN  80  -4.115 -12.506  -9.067
  815    QB   ASN  80           QB       ASN  80  -4.883 -12.728 -11.448
  816    QD2  ASN  80           QD2      ASN  80  -4.096 -11.708  -8.776
  817    H    ASN  81           HN       ASN  81  -6.726 -10.260 -10.584
  818    HA   ASN  81           HA       ASN  81  -9.346  -9.557 -11.025
  819   1HB   ASN  81           2HB      ASN  81  -9.726 -12.098 -11.341
  820   2HB   ASN  81           3HB      ASN  81  -9.348 -12.272  -9.635
  821   1HD2  ASN  81                 ASN  81 -12.366  -9.870  -9.235
  822   2HD2  ASN  81           1HD      ASN  81 -10.710  -9.480  -9.230
  823    QB   ASN  81           QB       ASN  81  -9.536 -12.185 -10.488
  824    QD2  ASN  81           QD2      ASN  81 -11.538  -9.675  -9.232