*HEADER   ELECTRON TRANSPORT                      08-OCT-91   1EGR    
*COMPND   GLUTAREDOXIN (REDUCED) (NMR, 20 STRUCTURES)                 
*SOURCE   (ESCHERICHIA COLI, STRAIN N4830/P/AHOB1)                    
*AUTHOR   P.SODANO,T.-*H.XIA,J.H.BUSHWELLER,O.BJORNBERG,A.HOLMGREN,   
*AUTHOR  2 M.BILLETER,K.WUTHRICH                                      
*REVDAT  1   31-OCT-93 1EGR    0                                      

REMARK   1                                                              0EGR   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   0EGR   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF OXIDIZED E. COLI       0EGR  10
REMARK   1 GLUTAREDOXIN BY NUCLEAR MAGNETIC RESONANCE IN SOLUTION.      0EGR  11
REMARK   1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING  0EGR  12
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     0EGR  13
REMARK   1 REMARK 2 FOR THE DETAILS.                                    0EGR  14
REMARK   1                                                              0EGR  15
REMARK   1 RECORD CONTENT                                     UNIT      0EGR  16
REMARK   1 ------ ------------------------------------------- --------- 0EGR  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       0EGR  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     0EGR  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            0EGR  21
REMARK   1 HBUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  22
REMARK   1        FOR HYDROGEN BONDS (NOT USED HERE)                    0EGR  23
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  24
REMARK   1        FOR DISULPHIDE BRIDGES (NOT USED HERE)                0EGR  25
REMARK   1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  26
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            0EGR  27
REMARK   1        (NOT USED HERE)                                       0EGR  28
REMARK   1 HBLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  29
REMARK   1        FOR HYDROGEN BONDS (NOT USED HERE)                    0EGR  30
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGR  31
REMARK   1        FOR DISULPHIDE BRIDGES (NOT USED HERE)                0EGR  32
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   0EGR  33
REMARK   1        AN ALLOWED INTERVAL                                   0EGR  34
REMARK   1                                                              0EGR  35
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 0EGR  36
REMARK   1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM      0EGR  37
REMARK   1 DIANA AND REFINEMENT WITH X-PLOR IS GIVEN IN THE RECORDS     0EGR  38
REMARK   1 NOEUPP, HBUPP, SSUPP, HBLOW, SSLOW AND ANGLE.                0EGR  38
REMARK   2                                                              0EGR  40
REMARK   2                                                              0EGR  41
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        0EGR  42
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     0EGR  43
REMARK   2 MASTER RECORD.                                               0EGR  44
REMARK   2                                                              0EGR  45
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             0EGR  46
REMARK   2 ------ ----------------------------------------------------- 0EGR  47
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     0EGR  48
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    0EGR  49
REMARK   2        CHEMICAL SHIFT(S)                                     0EGR  50
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 0EGR  51
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   0EGR  52
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      0EGR  53
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      0EGR  54
REMARK   2        NAME, J-COUPLING CONSTANT                             0EGR  55
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            0EGR  56
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  0EGR  57
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     0EGR  58
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    0EGR  59
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     0EGR  60
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                0EGR  61
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   0EGR  62
REMARK   2 HBUPP  SIMILAR TO NOEUPP                                     0EGR  63
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     0EGR  64
REMARK   2 NOELOW SIMILAR TO NOEUPP, BUT WITH LOWER DISTANCE LIMITS     0EGR  65
REMARK   2 HBLOW  SIMILAR TO NOELOW                                     0EGR  66
REMARK   2 SSLOW  SIMILAR TO NOELOW                                     0EGR  67
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   0EGR  68
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        0EGR  69
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  0EGR  70
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   0EGR  71
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   0EGR  72
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  0EGR  73
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      0EGR  74
REMARK   2        RECORDS                                               0EGR  75
REMARK   2        ('MASTER',4X,7I5)                                     0EGR  76
REMARK   3                                                              0EGR  77
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  0EGR  78
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     0EGR  79
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         0EGR  80
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  0EGR  81
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   0EGR  82
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    0EGR  83
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            0EGR  84
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       0EGR  85
REMARK   3 ORDINATE FILE 0EGR.                                          0EGR  86
REMARK   4                                                              0EGR  87
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     0EGR  88
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                0EGR  89
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    0EGR  90
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     0EGR  91
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     0EGR  92
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       0EGR  93
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  0EGR  94
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          0EGR  95
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        0EGR  96
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             0EGR  97
REMARK   5                                                              0EGR  98
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         0EGR  99
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         0EGR 100
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         0EGR 101
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    0EGR 102
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  0EGR 103
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      0EGR 104
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                0EGR 105
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       0EGR 106
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 0EGR 107
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      0EGR 108
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. IN THE CASE  0EGR 109
REMARK   5 THE DELTA AND EPSILON PROTONS OF THE AROMATIC RINGS          0EGR 110
REMARK   5 ARE DEGENERATE, THE CHEMICAL SHIFTS ARE LISTED UNDER CG      0EGR 111
REMARK   5 AND CZ, RESPECTIVELY.                                        0EGR 112
REMARK   5                                                              0EGR 113
SHIFTS  MET    1   QE   2.35                                            0EGR   8
SHIFTS  GLN    2   HN   9.24         HA   4.70        2HB   2.06        0EGR   9
SHIFTS  GLN    2  3HB   1.91        2HG   2.12        3HG   2.37        0EGR  10
SHIFTS  THR    3   HN   8.71         HA   5.23         HB   3.78        0EGR  11
SHIFTS  THR    3   QG2  0.91                                            0EGR  12
SHIFTS  VAL    4   HN   9.38         HA   4.74         HB   1.76        0EGR  13
SHIFTS  VAL    4   QG1  0.24         QG2  0.69                          0EGR  14
SHIFTS  ILE    5   HN   8.43         HA   4.50         HB   1.90        0EGR  15
SHIFTS  ILE    5   QG2  0.84        2HG1  0.76                          0EGR  16
SHIFTS  PHE    6   HN   9.16         HA   5.05        2HB   3.15        0EGR  17
SHIFTS  PHE    6  3HB   2.77         CG   7.15         CZ   6.99        0EGR  18
SHIFTS  GLY    7   HN   8.98        1HA   4.93        2HA   3.95        0EGR  19
SHIFTS  ARG    8   HN   8.05         HA   5.06        2HB   1.82        0EGR  20
SHIFTS  ARG    8  3HB   2.02        2HG   1.45        3HG   1.63        0EGR  21
SHIFTS  SER    9   HN   9.07         HA   4.36         QB   3.99        0EGR  22
SHIFTS  CYS   11   HN   7.26         HA   5.10        2HB   2.78        0EGR  23
SHIFTS  CYS   11  3HB   2.92                                            0EGR  24
SHIFTS  PRO   12   HA   4.32        2HD   3.96        3HD   4.26        0EGR  25
SHIFTS  TYR   13   HN   9.14         HA   4.00        2HB   3.06        0EGR  26
SHIFTS  TYR   13  3HB   3.18         CG   7.20         CZ   7.00        0EGR  27
SHIFTS  CYS   14   HN   9.41         HA   4.16        2HB   3.24        0EGR  28
SHIFTS  CYS   14  3HB   3.62                                            0EGR  29
SHIFTS  VAL   15   HN   7.42         HA   3.53         HB   1.99        0EGR  30
SHIFTS  VAL   15   QG1  0.88         QG2  1.03                          0EGR  31
SHIFTS  ARG   16   HN   7.60         HA   4.01        2HB   1.24        0EGR  32
SHIFTS  ARG   16  3HB   1.31        2HG   1.69        3HG   1.52        0EGR  33
SHIFTS  ARG   16  2HD   2.69        3HD   2.76                          0EGR  34
SHIFTS  ALA   17   HN   8.22         HA   4.39         QB   1.77        0EGR  35
SHIFTS  LYS   18   HN   8.10         HA   3.63        2HB   1.74        0EGR  36
SHIFTS  LYS   18  3HB   1.94        2HG   1.31        3HG   1.48        0EGR  37
SHIFTS  LYS   18  2HD   1.04        3HD   1.21         QE   2.68        0EGR  38
SHIFTS  ASP   19   HN   8.77         HA   4.32        2HB   2.72        0EGR  39
SHIFTS  ASP   19  3HB   2.55                                            0EGR  40
SHIFTS  LEU   20   HN   7.84         HA   4.31        2HB   1.85        0EGR  41
SHIFTS  LEU   20  3HB   2.18         HG   1.38         QD1  0.92        0EGR  42
SHIFTS  LEU   20   QD2  0.65                                            0EGR  43
SHIFTS  ALA   21   HN   8.11         HA   4.01         QB   1.03        0EGR  44
SHIFTS  GLU   22   HN   8.70         HA   4.06        2HB   2.19        0EGR  45
SHIFTS  GLU   22  3HB   2.08        2HG   2.37        3HG   2.29        0EGR  46
SHIFTS  LYS   23   HN   7.85         HA   4.08        2HB   1.94        0EGR  47
SHIFTS  LYS   23  3HB   2.07        2HG   1.23        2HD   1.55        0EGR  48
SHIFTS  LYS   23  3HD   1.65        2HE   2.95        3HE   2.91        0EGR  49
SHIFTS  LEU   24   HN   8.01         HA   3.79        2HB   1.14        0EGR  50
SHIFTS  LEU   24  3HB   0.02         HG   1.56         QD1  0.39        0EGR  51
SHIFTS  LEU   24   QD2  0.56                                            0EGR  52
SHIFTS  SER   25   HN   8.42         HA   4.84        2HB   4.51        0EGR  53
SHIFTS  SER   25  3HB   4.42                                            0EGR  54
SHIFTS  ASN   26   HN   7.72         HA   4.87        2HB   2.89        0EGR  55
SHIFTS  ASN   26  3HB   2.99        1HD2  7.50        2HD2  7.09        0EGR  56
SHIFTS  GLU   27   HN   7.89         HA   4.39        2HB   2.01        0EGR  57
SHIFTS  GLU   27  3HB   2.10        2HG   2.30        3HG   2.49        0EGR  58
SHIFTS  ARG   28   HN   7.99        3HB   2.28        2HG   1.66        0EGR  59
SHIFTS  ARG   28  3HG   1.71        2HD   3.42        3HD   2.81        0EGR  60
SHIFTS  ARG   28   HE   9.23                                            0EGR  61
SHIFTS  ASP   29   HN   8.61         HA   4.81        2HB   2.72        0EGR  62
SHIFTS  ASP   29  3HB   2.81                                            0EGR  63
SHIFTS  ASP   30   HN   8.36         HA   4.72        2HB   2.63        0EGR  64
SHIFTS  ASP   30  3HB   3.07                                            0EGR  65
SHIFTS  PHE   31   HN   8.05         HA   4.97        2HB   2.72        0EGR  66
SHIFTS  PHE   31  3HB   3.30         CG   7.28         CZ   7.46        0EGR  67
SHIFTS  GLN   32   HN   7.95         HA   4.99        2HB   1.98        0EGR  68
SHIFTS  GLN   32  3HB   2.16        2HG   2.31        3HG   2.42        0EGR  69
SHIFTS  TYR   33   HN   8.98         HA   5.97        2HB   2.72        0EGR  70
SHIFTS  TYR   33  3HB   2.75         CG   6.88         CZ   6.83        0EGR  71
SHIFTS  GLN   34   HN   8.44         HA   4.25        2HB   1.73        0EGR  72
SHIFTS  GLN   34  3HB   1.83        2HG   2.02        3HG   2.18        0EGR  73
SHIFTS  TYR   35   HN   8.98         HA   5.17        2HB   2.74        0EGR  74
SHIFTS  TYR   35  3HB   3.14         CG   6.90         CZ   6.67        0EGR  75
SHIFTS  VAL   36   HN   8.72         HA   3.88         HB   1.44        0EGR  76
SHIFTS  VAL   36   QG1  0.73         QG2  0.33                          0EGR  77
SHIFTS  ASP   37   HN   8.67         HA   4.73        2HB   2.59        0EGR  78
SHIFTS  ASP   37  3HB   3.10                                            0EGR  79
SHIFTS  ILE   38   HN   9.17         HA   3.90         HB   2.44        0EGR  80
SHIFTS  ILE   38   QG2  1.18        2HG1  1.61        3HG1  1.37        0EGR  81
SHIFTS  ILE   38   QD1  0.79                                            0EGR  82
SHIFTS  ARG   39   HN   8.01         HA   4.33        2HB   2.04        0EGR  83
SHIFTS  ARG   39  3HB   2.02        2HG   1.80        3HG   1.68        0EGR  84
SHIFTS  ARG   39   QD   3.31                                            0EGR  85
SHIFTS  ALA   40   HN   7.86         HA   4.15         QB   1.58        0EGR  86
SHIFTS  GLU   41   HN   7.86         HA   4.44        2HB   1.66        0EGR  87
SHIFTS  GLU   41  3HB   2.29        2HG   2.40        3HG   2.36        0EGR  88
SHIFTS  GLY   42   HN   7.50        1HA   4.73        2HA   3.85        0EGR  89
SHIFTS  ILE   43   HN   8.22         HA   4.29         HB   1.70        0EGR  90
SHIFTS  ILE   43   QG2  0.79        2HG1  1.48        3HG1  1.22        0EGR  91
SHIFTS  ILE   43   QD1  0.86                                            0EGR  92
SHIFTS  THR   44   HN   8.85         HA   4.56         HB   4.70        0EGR  93
SHIFTS  THR   44   QG2  1.28                                            0EGR  94
SHIFTS  LYS   45   HN   8.82         HA   3.77        2HB   1.72        0EGR  95
SHIFTS  LYS   45  3HB   1.86        2HG   1.44        3HG   1.26        0EGR  96
SHIFTS  GLU   46   HN   8.57         HA   3.89        2HB   2.05        0EGR  97
SHIFTS  GLU   46  3HB   1.88        2HG   2.17        3HG   2.44        0EGR  98
SHIFTS  ASP   47   HN   7.81         HA   4.26        2HB   2.48        0EGR  99
SHIFTS  ASP   47  3HB   3.03                                            0EGR 100
SHIFTS  LEU   48   HN   7.69         HA   3.66        2HB   1.79        0EGR 101
SHIFTS  LEU   48  3HB   1.15         HG   1.43         QD1  0.55        0EGR 102
SHIFTS  LEU   48   QD2  0.12                                            0EGR 103
SHIFTS  GLN   49   HN   8.31         HA   4.22        2HB   2.21        0EGR 104
SHIFTS  GLN   49  3HB   2.00        2HG   2.63        3HG   2.44        0EGR 105
SHIFTS  GLN   50   HN   7.93         HA   3.97        2HB   2.16        0EGR 106
SHIFTS  GLN   50  3HB   2.21        2HG   2.37        3HG   2.47        0EGR 107
SHIFTS  LYS   51   HN   7.61         HA   3.97        2HB   1.65        0EGR 108
SHIFTS  LYS   51  3HB   1.58        2HG   1.41        3HG   1.16        0EGR 109
SHIFTS  LYS   51   QD   1.01        2HE   2.33        3HE   2.55        0EGR 110
SHIFTS  ALA   52   HN   8.44         HA   3.98         QB   0.78        0EGR 111
SHIFTS  GLY   53   HN   8.05        1HA   4.02        2HA   3.78        0EGR 112
SHIFTS  LYS   54   HN   7.45         HA   4.74        2HG   1.21        0EGR 113
SHIFTS  LYS   54  3HG   1.16                                            0EGR 114
SHIFTS  PRO   55  2HD   3.55        3HD   3.67                          0EGR 115
SHIFTS  VAL   56   HN   8.21         HA   4.21         HB   2.06        0EGR 116
SHIFTS  VAL   56   QG1  0.79         QG2  0.68                          0EGR 117
SHIFTS  GLU   57   HA   4.52        2HB   1.90        3HB   2.18        0EGR 118
SHIFTS  GLU   57  2HG   2.20        3HG   2.26                          0EGR 119
SHIFTS  THR   58   HN   7.41         HA   4.79         HB   4.42        0EGR 120
SHIFTS  THR   58   QG2  1.21                                            0EGR 121
SHIFTS  VAL   59   HN   8.28         HA   4.46         HB   2.55        0EGR 122
SHIFTS  VAL   59   QG1  0.88         QG2  0.96                          0EGR 123
SHIFTS  PRO   60   HA   5.64                                            0EGR 124
SHIFTS  GLN   61   HN   8.49         HA   4.86        2HB   1.92        0EGR 125
SHIFTS  GLN   61  3HB   2.29                                            0EGR 126
SHIFTS  ILE   62   HN   9.02         HA   5.13         HB   1.28        0EGR 127
SHIFTS  ILE   62   QG2 -0.01        2HG1  0.74        3HG1  1.40        0EGR 128
SHIFTS  ILE   62   QD1  0.68                                            0EGR 129
SHIFTS  PHE   63   HN   9.05         HA   5.25        2HB   2.99        0EGR 130
SHIFTS  PHE   63  3HB   2.61         CG   7.25         CZ   7.21        0EGR 131
SHIFTS  PHE   63   HZ   6.82                                            0EGR 132
SHIFTS  VAL   64   HN   8.66         HA   4.51         HB   1.30        0EGR 133
SHIFTS  VAL   64   QG1  0.70         QG2  0.31                          0EGR 134
SHIFTS  ASP   65   HN   9.71         HA   4.43        2HB   2.91        0EGR 135
SHIFTS  ASP   65  3HB   2.81                                            0EGR 136
SHIFTS  GLN   66   HN   8.78         HA   3.90        2HB   2.33        0EGR 137
SHIFTS  GLN   66  3HB   2.35                                            0EGR 138
SHIFTS  GLN   67   HN   8.35         HA   4.64        2HB   2.11        0EGR 139
SHIFTS  GLN   67  3HB   2.16        2HG   2.33        3HG   2.43        0EGR 140
SHIFTS  HIS   68   HN   9.16         HA   3.64        2HB   2.91        0EGR 141
SHIFTS  HIS   68  3HB   3.06         HD2  5.59         HE1  7.53        0EGR 142
SHIFTS  ILE   69   HN   8.25         HA   3.90         HB   1.39        0EGR 143
SHIFTS  ILE   69   QG2  0.56        2HG1  1.16        3HG1  0.53        0EGR 144
SHIFTS  ILE   69   QD1 -0.07                                            0EGR 145
SHIFTS  GLY   70   HN   6.36        1HA   4.65        2HA   3.23        0EGR 146
SHIFTS  GLY   71   HN   8.70                                            0EGR 147
SHIFTS  TYR   72   HN   8.80         HA   4.07        2HB   3.31        0EGR 148
SHIFTS  TYR   72  3HB   3.06         CG   7.04         CZ   6.80        0EGR 149
SHIFTS  THR   73   HN   8.48         HA   3.49         HB   4.15        0EGR 150
SHIFTS  THR   73   QG2  1.30                                            0EGR 151
SHIFTS  ASP   74   HN   7.13         HA   4.38        2HB   2.55        0EGR 152
SHIFTS  ASP   74  3HB   2.64                                            0EGR 153
SHIFTS  PHE   75   HN   8.47         HA   4.55        2HB   2.94        0EGR 154
SHIFTS  PHE   75  3HB   3.09         CG   7.06         CZ   7.34        0EGR 155
SHIFTS  PHE   75   HZ   7.09                                            0EGR 156
SHIFTS  ALA   76   HN   8.68         HA   3.53         QB   1.02        0EGR 157
SHIFTS  ALA   77   HN   7.58         HA   4.11         QB   1.51        0EGR 158
SHIFTS  TRP   78   HN   8.27         HA   4.06        2HB   3.38        0EGR 159
SHIFTS  TRP   78  3HB   3.66         HD1  7.30         HE3  7.42        0EGR 160
SHIFTS  TRP   78   HE1 10.18         HZ3  7.00         HZ2  7.45        0EGR 161
SHIFTS  TRP   78   HH2  7.39                                            0EGR 162
SHIFTS  VAL   79   HN   8.78         HA   3.19         HB   1.97        0EGR 163
SHIFTS  VAL   79   QG1  0.80         QG2  0.67                          0EGR 164
SHIFTS  LYS   80   HN   7.32         HA   4.04        2HB   1.90        0EGR 165
SHIFTS  LYS   80  3HB   1.86        2HG   1.40        3HG   1.48        0EGR 166
SHIFTS  LYS   80   QD   1.62                                            0EGR 167
SHIFTS  GLU   81   HN   7.69         HA   4.02        2HB   1.84        0EGR 168
SHIFTS  GLU   81  3HB   1.79        2HG   2.11        3HG   2.22        0EGR 169
SHIFTS  ASN   82   HN   7.72         HA   4.50        2HB   1.11        0EGR 170
SHIFTS  ASN   82  3HB   1.83        1HD2  6.02        2HD2  6.89        0EGR 171
SHIFTS  LEU   83   HN   7.89         HA   4.52        2HB   1.73        0EGR 172
SHIFTS  LEU   83  3HB   1.47         HG   1.31         QD1  0.96        0EGR 173
SHIFTS  LEU   83   QD2  0.82                                            0EGR 174
SHIFTS  ASP   84   HN   7.62         HA   4.56        2HB   2.77        0EGR 175
SHIFTS  ASP   84  3HB   2.55                                            0EGR 176
SHIFTS  ALA   85   HN   7.36         HA   4.10         QB   1.20        0EGR 177
JCOUPL  PHE    6   HA  2HB   4.70                                       0EGR 178
JCOUPL  ARG    8   HA  2HB   4.70                                       0EGR 179
JCOUPL  CYS   11   HA  2HB   8.20                                       0EGR 180
JCOUPL  TYR   13   HA  2HB   4.70                                       0EGR 181
JCOUPL  CYS   14   HA  2HB   4.20                                       0EGR 182
JCOUPL  ARG   16   HA  2HB  10.60                                       0EGR 183
JCOUPL  LYS   18   HA  2HB  10.60                                       0EGR 184
JCOUPL  ASP   19   HA  2HB  10.60                                       0EGR 185
JCOUPL  LEU   20   HA  2HB   5.20                                       0EGR 186
JCOUPL  GLU   22   HA  2HB   6.00                                       0EGR 187
JCOUPL  LYS   23   HA  2HB   5.20                                       0EGR 188
JCOUPL  LEU   24   HA  2HB  10.50                                       0EGR 189
JCOUPL  SER   25   HA  2HB   4.80                                       0EGR 190
JCOUPL  ASN   26   HA  2HB   5.40                                       0EGR 191
JCOUPL  GLU   27   HA  2HB  10.60                                       0EGR 192
JCOUPL  ASP   29   HA  2HB   4.80                                       0EGR 193
JCOUPL  PHE   31   HA  2HB  12.60                                       0EGR 194
JCOUPL  GLU   32   HA  2HB  10.60                                       0EGR 195
JCOUPL  GLU   34   HA  2HB   7.00                                       0EGR 196
JCOUPL  TYR   35   HA  2HB  12.00                                       0EGR 197
JCOUPL  GLU   41   HA  2HB  10.80                                       0EGR 198
JCOUPL  LYS   45   HA  2HB   7.80                                       0EGR 199
JCOUPL  GLU   46   HA  2HB   4.70                                       0EGR 200
JCOUPL  ASP   47   HA  2HB   4.80                                       0EGR 201
JCOUPL  LEU   48   HA  2HB  11.70                                       0EGR 202
JCOUPL  GLN   49   HA  2HB  10.60                                       0EGR 203
JCOUPL  LYS   51   HA  2HB   9.40                                       0EGR 204
JCOUPL  GLN   61   HA  2HB  11.40                                       0EGR 205
JCOUPL  PHE   63   HA  2HB   4.20                                       0EGR 206
JCOUPL  ASP   65   HA  2HB   4.50                                       0EGR 207
JCOUPL  HIS   68   HA  2HB   4.70                                       0EGR 208
JCOUPL  TYR   72   HA  2HB   6.00                                       0EGR 209
JCOUPL  ASP   74   HA  2HB  12.60                                       0EGR 210
JCOUPL  PHE   75   HA  2HB   6.00                                       0EGR 211
JCOUPL  TRP   78   HA  2HB   4.70                                       0EGR 212
JCOUPL  ASN   82   HA  2HB  10.80                                       0EGR 213
JCOUPL  LEU   83   HA  2HB   5.40                                       0EGR 214
JCOUPL  PHE    6   HA  3HB  10.60                                       0EGR 215
JCOUPL  ARG    8   HA  3HB   4.70                                       0EGR 216
JCOUPL  CYS   11   HA  3HB  10.60                                       0EGR 217
JCOUPL  TYR   13   HA  3HB  12.00                                       0EGR 218
JCOUPL  CYS   14   HA  3HB  10.80                                       0EGR 219
JCOUPL  ARG   16   HA  3HB   4.80                                       0EGR 220
JCOUPL  LYS   18   HA  3HB   5.20                                       0EGR 221
JCOUPL  ASP   19   HA  3HB   5.20                                       0EGR 222
JCOUPL  LEU   20   HA  3HB  11.40                                       0EGR 223
JCOUPL  GLU   22   HA  3HB  10.60                                       0EGR 224
JCOUPL  LYS   23   HA  3HB  10.60                                       0EGR 225
JCOUPL  LEU   24   HA  3HB   4.00                                       0EGR 226
JCOUPL  SER   25   HA  3HB   4.00                                       0EGR 227
JCOUPL  ASN   26   HA  3HB  10.60                                       0EGR 228
JCOUPL  GLU   27   HA  3HB   5.40                                       0EGR 229
JCOUPL  ASP   29   HA  3HB   5.90                                       0EGR 230
JCOUPL  PHE   31   HA  3HB   4.70                                       0EGR 231
JCOUPL  GLU   32   HA  3HB   4.70                                       0EGR 232
JCOUPL  GLU   34   HA  3HB   7.00                                       0EGR 233
JCOUPL  TYR   35   HA  3HB   5.90                                       0EGR 234
JCOUPL  GLU   41   HA  3HB   4.80                                       0EGR 235
JCOUPL  LYS   45   HA  3HB   7.80                                       0EGR 236
JCOUPL  GLU   46   HA  3HB  11.70                                       0EGR 237
JCOUPL  ASP   47   HA  3HB  10.80                                       0EGR 238
JCOUPL  LEU   48   HA  3HB   4.70                                       0EGR 239
JCOUPL  GLN   49   HA  3HB   5.90                                       0EGR 240
JCOUPL  LYS   51   HA  3HB   5.00                                       0EGR 241
JCOUPL  GLN   61   HA  3HB   3.60                                       0EGR 242
JCOUPL  PHE   63   HA  3HB  10.80                                       0EGR 243
JCOUPL  ASP   65   HA  3HB  10.60                                       0EGR 244
JCOUPL  HIS   68   HA  3HB  12.00                                       0EGR 245
JCOUPL  TYR   72   HA  3HB  11.00                                       0EGR 246
JCOUPL  ASP   74   HA  3HB   4.70                                       0EGR 247
JCOUPL  PHE   75   HA  3HB  12.00                                       0EGR 248
JCOUPL  TRP   78   HA  3HB  11.40                                       0EGR 249
JCOUPL  ASN   82   HA  3HB   4.20                                       0EGR 250
JCOUPL  LEU   83   HA  3HB  10.60                                       0EGR 251
JCOUPL  THR   58   HA   HN   7.90                                       0EGR 252
JCOUPL  VAL   59   HA   HN   7.90                                       0EGR 253
JCOUPL  ILE    5   HA   HN   9.20                                       0EGR 254
JCOUPL  PHE    6   HA   HN   8.20                                       0EGR 255
JCOUPL  ARG    8   HA   HN   7.10                                       0EGR 256
JCOUPL  SER    9   HA   HN   4.90                                       0EGR 257
JCOUPL  CYS   11   HA   HN   7.40                                       0EGR 258
JCOUPL  TYR   13   HA   HN   8.00                                       0EGR 259
JCOUPL  CYS   14   HA   HN   5.60                                       0EGR 260
JCOUPL  VAL   15   HA   HN   4.40                                       0EGR 261
JCOUPL  ARG   16   HA   HN   3.90                                       0EGR 262
JCOUPL  ALA   17   HA   HN   4.40                                       0EGR 263
JCOUPL  LYS   18   HA   HN   4.00                                       0EGR 264
JCOUPL  ASP   19   HA   HN   3.60                                       0EGR 265
JCOUPL  LEU   20   HA   HN   4.30                                       0EGR 266
JCOUPL  ALA   21   HA   HN   4.30                                       0EGR 267
JCOUPL  GLU   22   HA   HN   3.40                                       0EGR 268
JCOUPL  LYS   23   HA   HN   4.00                                       0EGR 269
JCOUPL  LEU   24   HA   HN   3.80                                       0EGR 270
JCOUPL  SER   25   HA   HN   3.00                                       0EGR 271
JCOUPL  ASN   26   HA   HN   7.00                                       0EGR 272
JCOUPL  GLU   27   HA   HN   7.50                                       0EGR 273
JCOUPL  ARG   28   HA   HN   8.70                                       0EGR 274
JCOUPL  ASP   29   HA   HN   6.50                                       0EGR 275
JCOUPL  ASP   30   HA   HN   8.70                                       0EGR 276
JCOUPL  PHE   31   HA   HN   8.80                                       0EGR 277
JCOUPL  GLN   32   HA   HN   8.70                                       0EGR 278
JCOUPL  TYR   33   HA   HN   7.80                                       0EGR 279
JCOUPL  GLN   34   HA   HN   8.80                                       0EGR 280
JCOUPL  TYR   35   HA   HN   8.60                                       0EGR 281
JCOUPL  VAL   36   HA   HN   9.20                                       0EGR 282
JCOUPL  ASP   37   HA   HN   7.00                                       0EGR 283
JCOUPL  ILE   38   HA   HN   3.20                                       0EGR 284
JCOUPL  ARG   39   HA   HN   7.00                                       0EGR 285
JCOUPL  ALA   40   HA   HN   4.50                                       0EGR 286
JCOUPL  GLU   41   HA   HN   7.40                                       0EGR 287
JCOUPL  ILE   43   HA   HN   8.00                                       0EGR 288
JCOUPL  THR   44   HA   HN   8.20                                       0EGR 289
JCOUPL  LYS   45   HA   HN   4.30                                       0EGR 290
JCOUPL  GLU   46   HA   HN   4.00                                       0EGR 291
JCOUPL  ASP   47   HA   HN   4.60                                       0EGR 292
JCOUPL  LEU   48   HA   HN   4.80                                       0EGR 293
JCOUPL  GLN   49   HA   HN   4.40                                       0EGR 294
JCOUPL  GLN   50   HA   HN   4.60                                       0EGR 295
JCOUPL  LYS   51   HA   HN   4.80                                       0EGR 296
JCOUPL  ALA   52   HA   HN   5.10                                       0EGR 297
JCOUPL  LYS   54   HA   HN   6.20                                       0EGR 298
JCOUPL  VAL   56   HA   HN   7.00                                       0EGR 299
JCOUPL  GLU    2   HA   HN   8.60                                       0EGR 300
JCOUPL  THR    3   HA   HN   8.40                                       0EGR 301
JCOUPL  VAL    4   HA   HN   8.70                                       0EGR 302
JCOUPL  ILE   62   HA   HN   9.00                                       0EGR 303
JCOUPL  PHE   63   HA   HN   9.20                                       0EGR 304
JCOUPL  ASP   65   HA   HN   6.00                                       0EGR 305
JCOUPL  GLN   66   HA   HN   5.30                                       0EGR 306
JCOUPL  GLN   67   HA   HN   8.00                                       0EGR 307
JCOUPL  HIS   68   HA   HN   5.50                                       0EGR 308
JCOUPL  ILE   69   HA   HN   9.00                                       0EGR 309
JCOUPL  ASP   74   HA   HN   3.90                                       0EGR 310
JCOUPL  PHE   75   HA   HN   4.60                                       0EGR 311
JCOUPL  ALA   77   HA   HN   4.70                                       0EGR 312
JCOUPL  TRP   78   HA   HN   3.70                                       0EGR 313
JCOUPL  VAL   79   HA   HN   4.10                                       0EGR 314
JCOUPL  LYS   80   HA   HN   4.30                                       0EGR 315
JCOUPL  GLU   81   HA   HN   5.50                                       0EGR 316
JCOUPL  ASN   82   HA   HN   8.50                                       0EGR 317
JCOUPL  LEU   83   HA   HN   8.70                                       0EGR 318
JCOUPL  ASP   84   HA   HN   6.40                                       0EGR 319
NOEUPP  MET    1  QE  PHE   31  CG   7.50      QE  PHE   31  CZ   7.50  0EGR 320
NOEUPP  MET    1  QE  VAL   64  QG1  6.50      QE  TRP   78  HH2  5.50  0EGR 321
NOEUPP  MET    1  QE  LEU   83  QD1  6.50      QE  LEU   83  QD2  6.50  0EGR 322
NOEUPP  GLN    2  HN  GLN    2  HA   2.80      HN  GLN    2 2HB   3.40  0EGR 323
NOEUPP  GLN    2  HN  GLN    2 3HB   3.40      HN  GLN    2  QG   4.16  0EGR 324
NOEUPP  GLN    2  HN  GLN    2 2HG   4.40      HN  GLN    2 3HG   4.40  0EGR 325
NOEUPP  GLN    2  HN  ASP   65  HN   4.20      HA  GLN    2  QG   3.24  0EGR 326
NOEUPP  GLN    2  HA  GLN    2 2HG   3.60      HA  GLN    2 3HG   3.60  0EGR 327
NOEUPP  GLN    2  HA  THR    3  HN   2.70      HA  GLN   32 2HB   4.50  0EGR 328
NOEUPP  THR    3  HN  THR    3  HB   3.00      HN  TYR   33  HA   3.00  0EGR 329
NOEUPP  THR    3  HN  GLN   34  HN   4.50      HA  VAL    4  HN   2.60  0EGR 330
NOEUPP  THR    3  HA  VAL   64  HA   2.50      HA  VAL   64  QG1  5.50  0EGR 331
NOEUPP  THR    3  HA  VAL   64  QG2  5.50      HA  ASP   65  HN   3.90  0EGR 332
NOEUPP  THR    3  HB  PHE   31  CG   6.50      HB  PHE   31  CZ   6.50  0EGR 333
NOEUPP  THR    3  HB  TYR   33  HA   3.20      HB  TYR   33 2HB   3.90  0EGR 334
NOEUPP  THR    3  HB  TYR   33 3HB   3.90      QG2 VAL    4  HN   5.30  0EGR 335
NOEUPP  THR    3  QG2 PHE   31  CZ   7.50      QG2 TYR   33  HA   5.50  0EGR 336
NOEUPP  THR    3  QG2 TYR   33 2HB   5.50      QG2 TYR   33 3HB   5.50  0EGR 337
NOEUPP  THR    3  QG2 ILE   62  QG2  5.20      QG2 PHE   63  HN   5.50  0EGR 338
NOEUPP  THR    3  QG2 VAL   64  QG2  6.50      QG2 PHE   75  CG   7.50  0EGR 339
NOEUPP  THR    3  QG2 PHE   75  CZ   7.50      QG2 PHE   75  HZ   5.50  0EGR 340
NOEUPP  VAL    4  HN  VAL    4  HB   3.20      HN  PHE   63  HN   3.60  0EGR 341
NOEUPP  VAL    4  HN  VAL   64  HA   4.40      HA  GLN   34  HN   4.10  0EGR 342
NOEUPP  VAL    4  HB  PHE    6  CZ   6.50      HB  PHE   63  CG   6.50  0EGR 343
NOEUPP  VAL    4  QG1 ILE    5  HN   5.50      QG1 GLN   34 2HB   7.25  0EGR 344
NOEUPP  VAL    4  QG1 GLN   34 3HB   7.25      QG2 ILE    5  HN   5.50  0EGR 345
NOEUPP  VAL    4  QG2 GLN   34 2HB   7.25      QG2 GLN   34 3HB   7.25  0EGR 346
NOEUPP  VAL    4  QQG PHE    6  CG   9.06      QQG PHE    6  CZ   9.06  0EGR 347
NOEUPP  VAL    4  QQG GLN   34  QB   6.18      QQG GLN   34  QG   7.94  0EGR 348
NOEUPP  VAL    4  QQG VAL   36  QQG  9.62      QQG PHE   63  CG   9.06  0EGR 349
NOEUPP  ILE    5  HN  ILE    5  HB   3.20      HN  ILE    5  QG1  5.38  0EGR 350
NOEUPP  ILE    5  HN  TYR   35  HA   3.70      HA  ILE    5  QG1  3.85  0EGR 351
NOEUPP  ILE    5  HA  PHE    6  HN   2.80      HA  ILE   62  HA   2.90  0EGR 352
NOEUPP  ILE    5  HA  ILE   62  QG2  5.50      HB  TYR   35  HA   3.10  0EGR 353
NOEUPP  ILE    5  HB  TYR   35  CG   5.70      QG1 CYS   14  QB   5.05  0EGR 354
NOEUPP  ILE    5  QG1 ALA   17  QB   6.38      QG1 TYR   35  HA   5.38  0EGR 355
NOEUPP  ILE    5  QG1 TYR   35 2HB   5.38      QG1 TYR   35  CG   6.88  0EGR 356
NOEUPP  ILE    5  QG1 PHE   75  CZ   7.38      QG2 PHE    6  HN   5.50  0EGR 357
NOEUPP  ILE    5  QG2 ALA   17  QB   6.10      QG2 TYR   35  HA   5.50  0EGR 358
NOEUPP  ILE    5  QG2 TYR   35  CG   7.50      QG2 TYR   35  CZ   7.50  0EGR 359
NOEUPP  ILE    5  QG2 ILE   62  HA   5.50                               0EGR 360
NOEUPP  PHE    6  HN  PHE    6 2HB   3.10      HN  GLN   61  HN   4.00  0EGR 361
NOEUPP  PHE    6  HN  ILE   62  HA   4.30      HA  GLY    7  HN   2.90  0EGR 362
NOEUPP  PHE    6  HA  VAL   36  HN   3.90      HA  VAL   36  QG1  5.50  0EGR 363
NOEUPP  PHE    6  HA  VAL   36  QG2  5.50      HA  ILE   38  QG2  5.50  0EGR 364
NOEUPP  PHE    6 2HB  ILE   38  QG2  5.50     2HB  LEU   48  QD2  5.50  0EGR 365
NOEUPP  PHE    6 2HB  GLN   61  HN   4.50     3HB  ILE   38  QG2  4.80  0EGR 366
NOEUPP  PHE    6 3HB  LEU   48  QD1  5.50     3HB  LEU   48  QD2  5.50  0EGR 367
NOEUPP  PHE    6 3HB  GLN   61  HN   4.50     3HB  GLN   61  QB   5.38  0EGR 368
NOEUPP  PHE    6  CG  VAL   36  HB   6.00      CG  VAL   36  QG1  7.50  0EGR 369
NOEUPP  PHE    6  CG  VAL   36  QG2  7.50      CG  ILE   38  QG2  7.50  0EGR 370
NOEUPP  PHE    6  CG  ILE   43  QD1  7.50      CG  LEU   48  QD1  7.50  0EGR 371
NOEUPP  PHE    6  CG  LEU   48  QD2  7.50      CG  PHE   63  CG   8.50  0EGR 372
NOEUPP  PHE    6  CG  PHE   63  CZ   8.50      CZ  VAL   36  HB   6.50  0EGR 373
NOEUPP  PHE    6  CZ  VAL   36  QG1  7.50      CZ  VAL   36  QG2  7.50  0EGR 374
NOEUPP  PHE    6  CZ  ILE   43  QD1  7.50      CZ  LEU   48  QD2  7.50  0EGR 375
NOEUPP  PHE    6  CZ  LYS   51  QD   7.50      CZ  LYS   51 2HE   6.50  0EGR 376
NOEUPP  PHE    6  CZ  LYS   51 3HE   6.50      CZ  PHE   63  CG   8.50  0EGR 377
NOEUPP  PHE    6  CZ  PHE   63  CZ   8.50                               0EGR 378
NOEUPP  GLY    7  HN  VAL   36  HN   4.30      HN  ILE   38  QG2  5.50  0EGR 379
NOEUPP  GLY    7  QA  TYR   35  CZ   7.38      QA  VAL   59  HB   4.48  0EGR 380
NOEUPP  GLY    7  QA  VAL   59  QG1  6.38      QA  VAL   59  QG2  6.38  0EGR 381
NOEUPP  GLY    7  QA  PRO   60  HA   4.38                               0EGR 382
NOEUPP  ARG    8  HA  ARG    8  QG   3.82      HA  SER    9  HN   3.20  0EGR 383
NOEUPP  ARG    8  QG  VAL   59  QG1  6.38      QG  VAL   59  QG2  6.38  0EGR 384
NOEUPP  CYS   11  HN  CYS   11 2HB   3.80      HN  CYS   11 3HB   3.80  0EGR 385
NOEUPP  CYS   11  HA  PRO   12 2HD   3.00      HA  PRO   12 3HD   3.00  0EGR 386
NOEUPP  PRO   12  HA  VAL   15  HN   4.50      HA  VAL   15  HB   3.10  0EGR 387
NOEUPP  PRO   12  HA  VAL   15  QG1  5.50      HA  VAL   15  QG2  5.50  0EGR 388
NOEUPP  TYR   13  HN  CYS   14  HN   3.80      CG  TYR   72  CG   8.50  0EGR 389
NOEUPP  CYS   14  HN  VAL   15  HN   3.60      HA  ALA   17  HN   4.50  0EGR 390
NOEUPP  CYS   14  HA  ALA   17  QB   5.50      QB  VAL   15  HN   4.12  0EGR 391
NOEUPP  CYS   14  QB  TYR   35  CZ   7.38     2HB  VAL   15  HN   4.50  0EGR 392
NOEUPP  CYS   14 3HB  VAL   15  HN   4.50                               0EGR 393
NOEUPP  VAL   15  HN  VAL   15  HB   3.00      HN  VAL   15  QG2  3.00  0EGR 394
NOEUPP  VAL   15  HN  ARG   16  HN   3.40      HA  VAL   15  QG1  3.70  0EGR 395
NOEUPP  VAL   15  HA  LYS   18  HN   3.90      HA  LYS   18 2HB   3.90  0EGR 396
NOEUPP  VAL   15  HA  LYS   18 3HB   3.10      HB  ARG   16  HN   3.30  0EGR 397
NOEUPP  VAL   15  QG1 ARG   16  HN   5.50      QG1 ARG   16  HA   5.50  0EGR 398
NOEUPP  VAL   15  QG1 ARG   16  QD   6.38      QG2 TYR   35  CZ   7.50  0EGR 399
NOEUPP  ARG   16  HN  ARG   16  QB   3.62      HN  ARG   16 2HB   4.10  0EGR 400
NOEUPP  ARG   16  HN  ARG   16 3HB   4.10      HN  ARG   16  QG   4.12  0EGR 401
NOEUPP  ARG   16  HN  ARG   16 2HG   4.50      HN  ARG   16 3HG   4.50  0EGR 402
NOEUPP  ARG   16  HN  ALA   17  HN   3.40      HA  ARG   16 2HB   3.00  0EGR 403
NOEUPP  ARG   16  HA  ARG   16 3HB   3.00      HA  ARG   16  QG   3.91  0EGR 404
NOEUPP  ARG   16  HA  ASP   19  HN   4.00      HA  ASP   19  QB   3.31  0EGR 405
NOEUPP  ARG   16  HA  ASP   19 2HB   3.80      HA  ASP   19 3HB   3.80  0EGR 406
NOEUPP  ARG   16  QB  ALA   17  HN   3.77     2HB  ALA   17  HN   4.20  0EGR 407
NOEUPP  ARG   16 3HB  ALA   17  HN   4.20                               0EGR 408
NOEUPP  ALA   17  HN  LYS   18  HN   3.60      HA  LEU   20  HN   4.50  0EGR 409
NOEUPP  ALA   17  HA  LEU   20 2HB   4.50      HA  LEU   20 3HB   3.40  0EGR 410
NOEUPP  ALA   17  HA  LEU   20  QD2  5.50      HA  TYR   72  CZ   6.00  0EGR 411
NOEUPP  ALA   17  HA  PHE   75  CZ   6.50      QB  TYR   72  HA   5.50  0EGR 412
NOEUPP  ALA   17  QB  TYR   72  CG   7.10      QB  TYR   72  CZ   7.50  0EGR 413
NOEUPP  ALA   17  QB  PHE   75  CZ   7.50                               0EGR 414
NOEUPP  LYS   18  HN  LYS   18 2HB   3.10      HN  LYS   18 3HB   3.20  0EGR 415
NOEUPP  LYS   18  HN  ASP   19  HN   3.20      HA  LYS   18 2HB   2.90  0EGR 416
NOEUPP  LYS   18  HA  LYS   18  QG   3.96      HA  LYS   18 2HG   4.20  0EGR 417
NOEUPP  LYS   18  HA  LYS   18 3HG   4.20      HA  ALA   21  HN   3.90  0EGR 418
NOEUPP  LYS   18  HA  ALA   21  QB   4.20      HA  TYR   33  CG   6.50  0EGR 419
NOEUPP  LYS   18  HA  TYR   33  CZ   6.50     2HB  ASP   19  HN   4.30  0EGR 420
NOEUPP  LYS   18 2HB  TYR   35  CZ   6.50     3HB  ASP   19  HN   3.40  0EGR 421
NOEUPP  LYS   18 2HG  TYR   33  CZ   6.50     3HG  TYR   33  CZ   6.50  0EGR 422
NOEUPP  ASP   19  HN  ASP   19  QB   3.20      HN  ASP   19 2HB   3.60  0EGR 423
NOEUPP  ASP   19  HN  ASP   19 3HB   3.60      HN  LEU   20  HN   3.40  0EGR 424
NOEUPP  ASP   19  HA  GLU   22  HN   4.00      HA  GLU   22 2HB   3.30  0EGR 425
NOEUPP  ASP   19  HA  GLU   22 3HB   3.90      QB  LEU   20  HN   3.96  0EGR 426
NOEUPP  ASP   19 2HB  LEU   20  HN   4.20     3HB  LEU   20  HN   4.20  0EGR 427
NOEUPP  LEU   20  HN  LEU   20 2HB   3.20      HN  LEU   20 3HB   3.10  0EGR 428
NOEUPP  LEU   20  HN  LEU   20  QD1  5.50      HN  ALA   21  HN   3.10  0EGR 429
NOEUPP  LEU   20  HA  LEU   20 2HB   2.80      HA  LEU   20  QD1  2.80  0EGR 430
NOEUPP  LEU   20  HA  LEU   20  QD2  5.50      HA  LYS   23  HN   3.90  0EGR 431
NOEUPP  LEU   20  HA  LYS   23 2HB   4.00      HA  LYS   23 3HB   4.50  0EGR 432
NOEUPP  LEU   20 2HB  ALA   21  HN   4.30     2HB  TYR   72  CZ   6.50  0EGR 433
NOEUPP  LEU   20 2HB  PHE   75  CZ   6.50     3HB  ALA   21  HN   3.30  0EGR 434
NOEUPP  LEU   20 3HB  TYR   72  CZ   6.50     3HB  PHE   75  CZ   6.50  0EGR 435
NOEUPP  LEU   20 3HB  VAL   79  QG2  5.50      HG  LEU   24  QD1  5.50  0EGR 436
NOEUPP  LEU   20  HG  PHE   75  CZ   6.50      QD1 LEU   24  HG   5.50  0EGR 437
NOEUPP  LEU   20  QD1 LEU   24  QD1  6.50      QD1 ALA   76  HA   5.50  0EGR 438
NOEUPP  LEU   20  QD2 LEU   24  QD1  6.50      QD2 TYR   72  CG   7.50  0EGR 439
NOEUPP  LEU   20  QD2 TYR   72  CZ   7.50      QD2 PHE   75  CG   7.50  0EGR 440
NOEUPP  LEU   20  QD2 PHE   75  CZ   7.50      QD2 ALA   76  HA   3.80  0EGR 441
NOEUPP  LEU   20  QD2 ALA   76  QB   6.50      QD2 VAL   79  HB   5.50  0EGR 442
NOEUPP  ALA   21  HN  ALA   21  QB   3.60      HN  GLU   22  HN   3.30  0EGR 443
NOEUPP  ALA   21  HA  LEU   24  HN   4.10      HA  LEU   24 2HB   3.30  0EGR 444
NOEUPP  ALA   21  HA  LEU   24 3HB   4.50      HA  LEU   24  QD1  5.40  0EGR 445
NOEUPP  ALA   21  HA  PHE   31  CG   6.50      HA  PHE   31  CZ   5.90  0EGR 446
NOEUPP  ALA   21  HA  PHE   75  CZ   6.50      HA  PHE   75  HZ   4.30  0EGR 447
NOEUPP  ALA   21  QB  PHE   31  CG   7.50      QB  PHE   31  CZ   7.50  0EGR 448
NOEUPP  ALA   21  QB  TYR   33  HA   5.50      QB  TYR   33  CG   7.50  0EGR 449
NOEUPP  ALA   21  QB  TYR   33  CZ   7.50      QB  PHE   75  CG   7.50  0EGR 450
NOEUPP  ALA   21  QB  PHE   75  CZ   7.50      QB  PHE   75  HZ   5.50  0EGR 451
NOEUPP  GLU   22  HN  GLU   22 2HB   3.10      HN  GLU   22 3HB   3.10  0EGR 452
NOEUPP  GLU   22  HN  GLU   22  QG   5.38      HN  LYS   23  HN   3.20  0EGR 453
NOEUPP  GLU   22  HA  SER   25  HN   4.20      HA  SER   25 2HB   4.50  0EGR 454
NOEUPP  GLU   22  HA  SER   25 3HB   4.50      HA  TYR   33  CG   6.50  0EGR 455
NOEUPP  GLU   22  HA  TYR   33  CZ   5.30     2HB  LYS   23  HN   3.80  0EGR 456
NOEUPP  GLU   22 2HB  TYR   33  CZ   6.50     3HB  LYS   23  HN   3.10  0EGR 457
NOEUPP  LYS   23  HN  LYS   23 2HB   3.20      HN  LYS   23 3HB   3.60  0EGR 458
NOEUPP  LYS   23  HN  LEU   24  HN   3.60      HA  ASN   26  HN   3.90  0EGR 459
NOEUPP  LYS   23  HA  ASN   26 2HB   4.20      HA  ASN   26 3HB   3.40  0EGR 460
NOEUPP  LYS   23 2HB  LEU   24  HN   3.80     3HB  LEU   24  HN   3.70  0EGR 461
NOEUPP  LEU   24  HN  LEU   24 2HB   3.00      HN  LEU   24 3HB   3.90  0EGR 462
NOEUPP  LEU   24  HN  LEU   24  HG   2.80      HN  LEU   24  QD1  5.50  0EGR 463
NOEUPP  LEU   24  HN  LEU   24  QD2  5.50      HN  SER   25  HN   3.40  0EGR 464
NOEUPP  LEU   24  HA  LEU   24 3HB   3.00      HA  LEU   24  HG   3.60  0EGR 465
NOEUPP  LEU   24  HA  LEU   24  QD1  5.50      HA  LEU   24  QD2  2.90  0EGR 466
NOEUPP  LEU   24  HA  GLU   27  HN   4.10      HA  GLU   27  QB   3.91  0EGR 467
NOEUPP  LEU   24  HA  GLU   27 2HB   4.20      HA  GLU   27 3HB   4.20  0EGR 468
NOEUPP  LEU   24  HA  GLU   27 2HG   4.50      HA  GLU   27 3HG   4.50  0EGR 469
NOEUPP  LEU   24 2HB  SER   25  HN   3.50     2HB  PHE   31  CG   6.50  0EGR 470
NOEUPP  LEU   24 2HB  PHE   31  CZ   6.50     3HB  SER   25  HN   4.40  0EGR 471
NOEUPP  LEU   24 3HB  PHE   31  CG   6.50     3HB  PHE   31  CZ   6.50  0EGR 472
NOEUPP  LEU   24  QD1 SER   25  HN   5.50      QD1 PHE   31  CG   7.50  0EGR 473
NOEUPP  LEU   24  QD1 PHE   31  CZ   7.50      QD1 PHE   75  CZ   7.50  0EGR 474
NOEUPP  LEU   24  QD1 PHE   75  HZ   5.50      QD1 VAL   79  QG1  6.10  0EGR 475
NOEUPP  LEU   24  QD1 VAL   79  QG2  6.00      QD1 LEU   83  QD1  6.30  0EGR 476
NOEUPP  LEU   24  QD2 ARG   28 2HD   5.50      QD2 ARG   28 3HD   5.50  0EGR 477
NOEUPP  LEU   24  QD2 VAL   79  QG1  4.40      QD2 LEU   83  QD1  6.50  0EGR 478
NOEUPP  SER   25  HN  SER   25  QB   3.39      HN  SER   25 2HB   3.60  0EGR 479
NOEUPP  SER   25  HN  SER   25 3HB   3.60      HN  ASN   26  HN   3.40  0EGR 480
NOEUPP  SER   25  HA  PHE   31 2HB   4.50      HA  PHE   31 3HB   3.50  0EGR 481
NOEUPP  SER   25  HA  PHE   31  CG   5.70      QB  ASN   26  HN   4.17  0EGR 482
NOEUPP  SER   25 2HB  ASN   26  HN   4.50     2HB  PHE   31  CG   6.50  0EGR 483
NOEUPP  SER   25 2HB  TYR   33  CG   6.50     2HB  TYR   33  CZ   6.50  0EGR 484
NOEUPP  SER   25 3HB  ASN   26  HN   4.50     3HB  PHE   31  CG   6.50  0EGR 485
NOEUPP  SER   25 3HB  TYR   33  CG   6.50     3HB  TYR   33  CZ   6.50  0EGR 486
NOEUPP  ASN   26  HN  ASN   26 2HB   3.40      HN  ASN   26 3HB   3.00  0EGR 487
NOEUPP  ASN   26  HN  GLU   27  HN   2.70     2HB  GLU   27  HN   4.50  0EGR 488
NOEUPP  ASN   26 3HB  GLU   27  HN   4.00                               0EGR 489
NOEUPP  GLU   27  HN  GLU   27  QB   3.50      HN  GLU   27 2HB   3.90  0EGR 490
NOEUPP  GLU   27  HN  GLU   27 3HB   3.90      HN  GLU   27  QG   5.38  0EGR 491
NOEUPP  GLU   27  HN  ARG   28  HN   3.20      HA  GLU   27  QG   3.86  0EGR 492
NOEUPP  GLU   27  QB  ARG   28  HN   3.85     2HB  ARG   28  HN   4.50  0EGR 493
NOEUPP  GLU   27 3HB  ARG   28  HN   4.50                               0EGR 494
NOEUPP  ARG   28  HN  ARG   28 2HG   4.50      HN  ARG   28 3HG   4.50  0EGR 495
NOEUPP  ASP   29  HN  ASP   29  QB   3.81      HN  ASP   30  HN   3.40  0EGR 496
NOEUPP  ASP   30  HN  PHE   31  HN   3.20                               0EGR 497
NOEUPP  PHE   31  HN  PHE   31 2HB   3.70      HN  PHE   31 3HB   3.10  0EGR 498
NOEUPP  PHE   31  HA  PHE   31 2HB   2.80      HA  GLN   32  HN   2.60  0EGR 499
NOEUPP  PHE   31  CG  GLN   32  HN   6.50      CG  TYR   33  CG   8.50  0EGR 500
NOEUPP  PHE   31  CG  PHE   75  HZ   6.50      CG  TRP   78  HZ3  6.50  0EGR 501
NOEUPP  PHE   31  CG  LEU   83  QD1  7.50      CG  LEU   83  QD2  7.50  0EGR 502
NOEUPP  PHE   31  CZ  TYR   33  CG   8.50      CZ  PHE   75  HZ   6.50  0EGR 503
NOEUPP  PHE   31  CZ  LEU   83  QD1  7.50                               0EGR 504
NOEUPP  GLN   32  HN  GLN   32 2HB   3.60      HN  GLN   32 3HB   4.00  0EGR 505
NOEUPP  GLN   32  HA  GLN   32 3HB   2.90      HA  GLN   32 2HG   4.10  0EGR 506
NOEUPP  GLN   32  HA  GLN   32 3HG   4.10      HA  TYR   33  HN   2.70  0EGR 507
NOEUPP  GLN   32  HA  TYR   33  CG   6.50     2HB  TYR   33  HN   4.10  0EGR 508
NOEUPP  GLN   32 3HB  TYR   33  HN   3.30                               0EGR 509
NOEUPP  TYR   33  HA  TYR   33 2HB   2.90      HA  TYR   33 3HB   2.90  0EGR 510
NOEUPP  TYR   33  HA  GLN   34  HN   2.70     2HB  GLN   34  HN   4.50  0EGR 511
NOEUPP  TYR   33 3HB  GLN   34  HN   4.50      CG  GLN   34  HA   6.50  0EGR 512
NOEUPP  TYR   33  CG  GLN   34  QB   7.38      CZ  GLN   34  HA   6.50  0EGR 513
NOEUPP  TYR   33  CZ  TYR   35 3HB   6.50                               0EGR 514
NOEUPP  GLN   34  HN  GLN   34  QB   3.86      HN  GLN   34 2HB   4.20  0EGR 515
NOEUPP  GLN   34  HN  GLN   34 3HB   4.20      HA  TYR   35  HN   2.70  0EGR 516
NOEUPP  GLN   34  QB  VAL   36  QQG  7.01     2HB  VAL   36  QG1  8.62  0EGR 517
NOEUPP  GLN   34 2HB  VAL   36  QG2  8.62     3HB  VAL   36  QG1  8.62  0EGR 518
NOEUPP  GLN   34 3HB  VAL   36  QG2  8.62      QG  VAL   36  QQG  7.01  0EGR 519
NOEUPP  GLN   34 2HG  VAL   36  QG1  8.62     2HG  VAL   36  QG2  8.62  0EGR 520
NOEUPP  GLN   34 3HG  VAL   36  QG1  8.62     3HG  VAL   36  QG2  8.62  0EGR 521
NOEUPP  TYR   35  HN  TYR   35 3HB   3.20      HA  VAL   36  HN   2.60  0EGR 522
NOEUPP  TYR   35  HA  VAL   36  QQG  7.06     2HB  VAL   36  HN   4.50  0EGR 523
NOEUPP  TYR   35  CG  VAL   36  HN   6.50      CZ  ASP   37  HA   6.50  0EGR 524
NOEUPP  TYR   35  CZ  ASP   37 2HB   6.50      CZ  ASP   37 3HB   6.50  0EGR 525
NOEUPP  VAL   36  HN  VAL   36  HB   3.10      HA  VAL   36  QG1  3.40  0EGR 526
NOEUPP  VAL   36  HA  VAL   36  QG2  3.40      HA  VAL   36  QQG  2.85  0EGR 527
NOEUPP  VAL   36  HA  ASP   37  HN   2.60      QQG ASP   37  HN   7.06  0EGR 528
NOEUPP  VAL   36  QQG GLU   41 2HB   7.06      QQG GLU   41 3HB   7.06  0EGR 529
NOEUPP  VAL   36  QQG GLU   41 2HG   7.06      QQG GLU   41 3HG   7.06  0EGR 530
NOEUPP  VAL   36  QQG ILE   43  QD1  5.96                               0EGR 531
NOEUPP  ASP   37  HN  ASP   37 3HB   3.10     2HB  ALA   40  QB   5.50  0EGR 532
NOEUPP  ASP   37 3HB  ALA   40  QB   3.90                               0EGR 533
NOEUPP  ILE   38  HN  ILE   38 2HG1  4.50      HN  ILE   38 3HG1  3.50  0EGR 534
NOEUPP  ILE   38  HN  ILE   38  QG2  4.80      HN  ARG   39  HN   3.50  0EGR 535
NOEUPP  ILE   38  HA  ILE   38  HB   2.60      HA  ILE   38  QG2  3.60  0EGR 536
NOEUPP  ILE   38  HA  GLU   41  HN   4.20      HA  ILE   43  HB   3.20  0EGR 537
NOEUPP  ILE   38  HA  ILE   43  QD1  5.50      HB  ILE   43  HN   4.10  0EGR 538
NOEUPP  ILE   38  HB  ILE   43  HB   3.40      QG2 ILE   38  QD1  4.30  0EGR 539
NOEUPP  ILE   38  QG2 ARG   39  HN   5.50      QG2 ILE   43  HB   5.50  0EGR 540
NOEUPP  ARG   39  HN  ARG   39 2HB   3.10      HN  ARG   39 3HB   2.90  0EGR 541
NOEUPP  ARG   39  HN  ARG   39  QG   5.38      HN  ALA   40  HN   3.10  0EGR 542
NOEUPP  ARG   39  HA  ARG   39  QD   5.50      HA  GLY   42  HN   3.60  0EGR 543
NOEUPP  ARG   39 2HB  ALA   40  HN   4.50     3HB  ALA   40  HN   3.90  0EGR 544
NOEUPP  ALA   40  QB  GLU   41  HA   5.50                               0EGR 545
NOEUPP  GLU   41  HN  GLU   41 2HB   3.10      HN  GLU   41 3HB   3.80  0EGR 546
NOEUPP  GLU   41  HN  GLU   41 2HG   4.50      HN  GLU   41 3HG   4.30  0EGR 547
NOEUPP  GLU   41  HN  GLY   42  HN   3.30      HA  GLU   41 3HB   2.80  0EGR 548
NOEUPP  GLU   41  HA  GLU   41 3HG   3.90     3HB  GLY   42  HN   4.50  0EGR 549
NOEUPP  GLY   42  HN  ILE   43  HN   3.40                               0EGR 550
NOEUPP  ILE   43  HN  ILE   43  HB   3.50      HN  ILE   43 2HG1  4.50  0EGR 551
NOEUPP  ILE   43  HN  ILE   43 3HG1  4.50      HN  ILE   43  QD1  5.50  0EGR 552
NOEUPP  ILE   43  HA  ILE   43  QG1  3.85      HA  ILE   43 2HG1  4.10  0EGR 553
NOEUPP  ILE   43  HA  ILE   43 3HG1  4.10      HA  THR   44  HN   2.60  0EGR 554
NOEUPP  ILE   43  HA  THR   44  QG2  5.50      HB  THR   44  HN   4.50  0EGR 555
NOEUPP  ILE   43  QG2 THR   44  HN   5.50      QG2 ASP   47 3HB   3.80  0EGR 556
NOEUPP  ILE   43  QG2 LEU   48  HN   5.50      QD1 LEU   48  QD1  6.50  0EGR 557
NOEUPP  ILE   43  QD1 LEU   48  QD2  6.50                               0EGR 558
NOEUPP  THR   44  HN  THR   44  QG2  4.00      HN  ASP   47 2HB   3.80  0EGR 559
NOEUPP  THR   44  HN  ASP   47 3HB   3.00      HA  THR   44  QG2  3.40  0EGR 560
NOEUPP  THR   44  HA  LYS   45  HN   3.50      HB  GLU   46  HN   3.80  0EGR 561
NOEUPP  THR   44  QG2 LYS   45  HN   5.50                               0EGR 562
NOEUPP  LYS   45  HN  LYS   45 2HB   3.70      HN  LYS   45 3HB   3.70  0EGR 563
NOEUPP  LYS   45  HN  GLU   46  HN   4.50      HA  LYS   45  QG   3.89  0EGR 564
NOEUPP  LYS   45  HA  LEU   48  HN   4.00      HA  LEU   48 2HB   3.40  0EGR 565
NOEUPP  LYS   45  HA  LEU   48 3HB   3.70      QB  GLU   46  HN   3.71  0EGR 566
NOEUPP  LYS   45 2HB  GLU   46  HN   4.10     3HB  GLU   46  HN   4.10  0EGR 567
NOEUPP  LYS   45  QG  GLU   46  HN   5.38                               0EGR 568
NOEUPP  GLU   46  HN  GLU   46 2HB   3.10      HN  GLU   46 3HB   4.00  0EGR 569
NOEUPP  GLU   46  HN  ASP   47  HN   3.40      HA  GLU   46 3HB   3.00  0EGR 570
NOEUPP  GLU   46  HA  GLU   46  QG   3.81      HA  GLN   49  HN   3.80  0EGR 571
NOEUPP  GLU   46  HA  GLN   49 2HB   3.50      HA  GLN   49 3HB   3.10  0EGR 572
NOEUPP  GLU   46 2HB  ASP   47  HN   3.30     3HB  ASP   47  HN   4.00  0EGR 573
NOEUPP  ASP   47  HN  ASP   47 2HB   3.80      HN  ASP   47 3HB   3.00  0EGR 574
NOEUPP  ASP   47  HN  LEU   48  HN   3.20      HA  ASP   47 2HB   2.70  0EGR 575
NOEUPP  ASP   47  HA  GLN   50  HN   4.40      HA  GLN   50 2HB   3.20  0EGR 576
NOEUPP  ASP   47  HA  GLN   50 3HB   3.60     2HB  LEU   48  HN   4.10  0EGR 577
NOEUPP  ASP   47 3HB  LEU   48  HN   3.40                               0EGR 578
NOEUPP  LEU   48  HN  LEU   48 2HB   3.20      HN  LEU   48 3HB   3.80  0EGR 579
NOEUPP  LEU   48  HN  LEU   48  HG   3.40      HN  LEU   48  QD1  5.50  0EGR 580
NOEUPP  LEU   48  HN  LEU   48  QD2  5.50      HN  GLN   49  HN   3.40  0EGR 581
NOEUPP  LEU   48  HA  LEU   48 3HB   2.90      HA  LEU   48  HG   3.50  0EGR 582
NOEUPP  LEU   48  HA  LEU   48  QD1  5.50      HA  LEU   48  QD2  3.30  0EGR 583
NOEUPP  LEU   48  HA  LYS   51  HN   4.00      HA  LYS   51 2HB   3.60  0EGR 584
NOEUPP  LEU   48  HA  LYS   51 3HB   3.80      HA  LYS   51  QG   5.38  0EGR 585
NOEUPP  LEU   48  HA  LYS   51  QD   5.50      HA  PHE   63  CZ   6.50  0EGR 586
NOEUPP  LEU   48 2HB  GLN   49  HN   3.70     3HB  LEU   48  QD1  3.20  0EGR 587
NOEUPP  LEU   48 3HB  GLN   49  HN   4.50      QD1 PHE   63  CZ   7.50  0EGR 588
NOEUPP  LEU   48  QD2 LYS   51  QD   6.50      QD2 ALA   52  QB   6.10  0EGR 589
NOEUPP  LEU   48  QD2 PHE   63  CG   7.50      QD2 PHE   63  CZ   7.50  0EGR 590
NOEUPP  LEU   48  QD2 PHE   63  HZ   5.50                               0EGR 591
NOEUPP  GLN   49  HN  GLN   49 2HB   3.20      HN  GLN   49 3HB   3.50  0EGR 592
NOEUPP  GLN   49  HN  GLN   49  QG   4.68      HN  GLN   50  HN   3.40  0EGR 593
NOEUPP  GLN   49  HA  GLN   49  QG   3.95      HA  ALA   52  HN   4.00  0EGR 594
NOEUPP  GLN   49  HA  ALA   52  QB   5.10     3HB  GLN   50  HN   4.00  0EGR 595
NOEUPP  GLN   49  QG  VAL   56  QQG  7.01     2HG  VAL   56  QG1  8.62  0EGR 596
NOEUPP  GLN   49 2HG  VAL   56  QG2  8.62     3HG  VAL   56  QG1  8.62  0EGR 597
NOEUPP  GLN   49 3HG  VAL   56  QG2  8.62                               0EGR 598
NOEUPP  GLN   50  HN  GLN   50 2HB   3.10      HN  GLN   50 3HB   3.20  0EGR 599
NOEUPP  GLN   50  HN  GLN   50 2HG   4.50      HN  GLN   50 3HG   4.50  0EGR 600
NOEUPP  GLN   50  HN  LYS   51  HN   3.20      HA  GLN   50 2HB   2.80  0EGR 601
NOEUPP  GLN   50  HA  GLY   53  HN   4.50     2HB  LYS   51  HN   3.60  0EGR 602
NOEUPP  GLN   50 3HB  LYS   51  HN   3.80                               0EGR 603
NOEUPP  LYS   51  HN  LYS   51 2HB   3.30      HN  LYS   51 3HB   3.60  0EGR 604
NOEUPP  LYS   51  HN  LYS   51  QG   5.38      HN  ALA   52  HN   3.10  0EGR 605
NOEUPP  LYS   51  HA  LYS   51 3HB   3.00      HA  LYS   51  QD   5.50  0EGR 606
NOEUPP  LYS   51 2HB  ALA   52  HN   3.90     2HB  PHE   63  CZ   6.50  0EGR 607
NOEUPP  LYS   51 2HB  PHE   63  HZ   4.50     3HB  ALA   52  HN   3.80  0EGR 608
NOEUPP  LYS   51 3HB  PHE   63  CZ   6.50     3HB  PHE   63  HZ   4.50  0EGR 609
NOEUPP  ALA   52  HN  ALA   52  QB   3.30      HN  GLY   53  HN   3.20  0EGR 610
NOEUPP  ALA   52  HA  PHE   63  CG   6.50      HA  PHE   63  CZ   6.50  0EGR 611
NOEUPP  ALA   52  HA  PHE   63  HZ   3.70      HA  HIS   68 2HB   3.70  0EGR 612
NOEUPP  ALA   52  HA  HIS   68  HD2  4.50      QB  LYS   54  HN   4.80  0EGR 613
NOEUPP  ALA   52  QB  PHE   63  CG   7.50      QB  PHE   63  CZ   7.50  0EGR 614
NOEUPP  ALA   52  QB  PHE   63  HZ   4.80      QB  HIS   68  HD2  5.50  0EGR 615
NOEUPP  ALA   52  QB  HIS   68  HE1  4.20                               0EGR 616
NOEUPP  GLY   53  HN  LYS   54  HN   2.90                               0EGR 617
NOEUPP  LYS   54  HN  LYS   54 2HG   4.50      HN  LYS   54 3HG   4.50  0EGR 618
NOEUPP  LYS   54  HA  PRO   55  QD   3.20      HA  PRO   55 2HD   3.60  0EGR 619
NOEUPP  LYS   54  HA  PRO   55 3HD   3.60                               0EGR 620
NOEUPP  PRO   55  HA  VAL   56  HN   2.80                               0EGR 621
NOEUPP  VAL   56  HN  VAL   56  HB   3.50      HA  VAL   56  HB   2.70  0EGR 622
NOEUPP  VAL   56  HA  VAL   56  QG1  3.60      HA  VAL   56  QG2  3.60  0EGR 623
NOEUPP  VAL   56  HA  VAL   56  QQG  2.92                               0EGR 624
NOEUPP  GLU   57  QB  THR   58  QG2  6.38                               0EGR 625
NOEUPP  THR   58  HA  VAL   59  HN   3.30      QG2 VAL   59  HN   5.50  0EGR 626
NOEUPP  VAL   59  HN  VAL   59  QG2  4.30      HA  VAL   59  QG1  3.30  0EGR 627
NOEUPP  VAL   59  HA  PRO   60  HA   2.90      QG1 PRO   60  HA   5.50  0EGR 628
NOEUPP  VAL   59  QG2 PRO   60  HA   5.50                               0EGR 629
NOEUPP  PRO   60  HA  GLN   61  HN   2.90                               0EGR 630
NOEUPP  GLN   61  HN  GLN   61  QB   3.77      HA  ILE   62  HN   2.80  0EGR 631
NOEUPP  GLN   61  QB  HIS   68  HD2  5.38                               0EGR 632
NOEUPP  ILE   62  HN  ILE   62  HB   4.10      HN  ILE   62  QG1  5.38  0EGR 633
NOEUPP  ILE   62  HN  ILE   62  QD1  5.50      HN  GLY   70  HN   4.00  0EGR 634
NOEUPP  ILE   62  HA  ILE   62  QG1  3.55      HA  ILE   62 2HG1  3.80  0EGR 635
NOEUPP  ILE   62  HA  ILE   62 3HG1  3.80      HA  PHE   63  CG   6.50  0EGR 636
NOEUPP  ILE   62  HB  PHE   63  HN   4.50      HB  GLY   70  HN   4.50  0EGR 637
NOEUPP  ILE   62  QG2 PHE   63  HN   5.50      QG2 PHE   63  HA   5.50  0EGR 638
NOEUPP  ILE   62  QG2 VAL   64  QG2  6.50      QG2 ILE   69  QG2  6.50  0EGR 639
NOEUPP  ILE   62  QG2 PHE   75 2HB   5.50      QG2 PHE   75  CG   7.50  0EGR 640
NOEUPP  ILE   62  QG2 PHE   75  CZ   7.50      QD1 PHE   63  HN   5.50  0EGR 641
NOEUPP  ILE   62  QD1 TYR   72  HA   5.50      QD1 PHE   75 2HB   4.80  0EGR 642
NOEUPP  ILE   62  QD1 PHE   75 3HB   5.50                               0EGR 643
NOEUPP  PHE   63  HN  PHE   63 2HB   3.40      HN  PHE   63 3HB   4.10  0EGR 644
NOEUPP  PHE   63  HA  PHE   63 3HB   3.00      HA  VAL   64  HN   2.70  0EGR 645
NOEUPP  PHE   63  HA  HIS   68  HA   2.90      HA  HIS   68  HD2  4.50  0EGR 646
NOEUPP  PHE   63  HA  ILE   69  HN   3.30      HA  ILE   69  QG1  4.98  0EGR 647
NOEUPP  PHE   63  HA  ILE   69  QD1  5.50     3HB  VAL   64  HN   4.50  0EGR 648
NOEUPP  PHE   63  CG  HIS   68  HN   6.50      CG  HIS   68  HA   6.50  0EGR 649
NOEUPP  PHE   63  CG  HIS   68 2HB   6.50      CG  HIS   68  HD2  6.50  0EGR 650
NOEUPP  PHE   63  CZ  HIS   68 2HB   6.50      CZ  HIS   68  HD2  6.50  0EGR 651
NOEUPP  PHE   63  HZ  HIS   68  HD2  4.30                               0EGR 652
NOEUPP  VAL   64  HN  VAL   64  HB   3.20      HN  GLN   67  HN   3.50  0EGR 653
NOEUPP  VAL   64  HN  ILE   69  QG1  5.38      HN  ILE   69  QD1  5.50  0EGR 654
NOEUPP  VAL   64  HA  VAL   64  QG1  3.30      HA  ASP   65  HN   2.60  0EGR 655
NOEUPP  VAL   64  HB  ILE   69  QD1  4.80      QG1 ASP   65  HN   5.50  0EGR 656
NOEUPP  VAL   64  QG1 ASP   65 2HB   5.50      QG1 ASP   65 3HB   5.50  0EGR 657
NOEUPP  VAL   64  QG1 GLN   67  QB   6.38      QG1 TRP   78  HZ2  3.10  0EGR 658
NOEUPP  VAL   64  QG1 TRP   78  HH2  5.30      QG2 ASP   65  HN   5.50  0EGR 659
NOEUPP  VAL   64  QG2 ILE   69 2HG1  5.50      QG2 ILE   69 3HG1  5.50  0EGR 660
NOEUPP  VAL   64  QG2 ILE   69  QD1  6.50      QG2 PHE   75  CG   7.50  0EGR 661
NOEUPP  VAL   64  QG2 PHE   75  CZ   7.50      QG2 TRP   78  HZ2  5.50  0EGR 662
NOEUPP  VAL   64  QG2 TRP   78  HZ3  5.50      QG2 TRP   78  HH2  5.50  0EGR 663
NOEUPP  ASP   65  HN  ASP   65  HA   2.70      HN  GLN   66  HN   4.30  0EGR 664
NOEUPP  ASP   65  HA  GLN   66  HN   3.30      QB  GLN   66  HN   4.01  0EGR 665
NOEUPP  ASP   65 2HB  GLN   66  HN   4.20     3HB  GLN   66  HN   4.20  0EGR 666
NOEUPP  GLN   66  HN  GLN   66  HA   2.90      HN  GLN   67  HN   3.40  0EGR 667
NOEUPP  GLN   67  HN  GLN   67  QB   3.18      HN  GLN   67 2HB   3.40  0EGR 668
NOEUPP  GLN   67  HN  GLN   67 3HB   3.40      HN  GLN   67  QG   4.07  0EGR 669
NOEUPP  GLN   67  HN  GLN   67 2HG   4.50      HN  GLN   67 3HG   4.50  0EGR 670
NOEUPP  GLN   67  HA  HIS   68  HN   2.70     2HB  ILE   69  QD1  5.50  0EGR 671
NOEUPP  GLN   67 3HB  ILE   69  QD1  5.50      QG  ILE   69  QD1  6.38  0EGR 672
NOEUPP  HIS   68  HN  HIS   68 2HB   3.30      HN  HIS   68 3HB   3.10  0EGR 673
NOEUPP  HIS   68  HA  HIS   68 2HB   2.90      HA  HIS   68  HD2  3.30  0EGR 674
NOEUPP  HIS   68  HA  ILE   69  HN   3.00      HD2 ILE   69  HN   4.50  0EGR 675
NOEUPP  HIS   68  HD2 GLY   70  HN   4.50      HE1 GLY   70 1HA   4.50  0EGR 676
NOEUPP  HIS   68  HE1 GLY   70 2HA   4.50      HE1 GLY   70  QA   4.17  0EGR 677
NOEUPP  ILE   69  HN  ILE   69  HB   3.20      HN  ILE   69  QG1  4.58  0EGR 678
NOEUPP  ILE   69  HN  ILE   69  QD1  5.50      HN  GLY   70  HN   3.50  0EGR 679
NOEUPP  ILE   69  HA  ILE   69  QD1  3.10      HB  GLY   70  HN   3.10  0EGR 680
NOEUPP  ILE   69  QG2 ILE   69  QD1  4.50      QG2 GLY   70  HN   5.50  0EGR 681
NOEUPP  ILE   69  QG2 ASP   74 2HB   5.50      QG2 ASP   74 3HB   5.50  0EGR 682
NOEUPP  ILE   69  QG2 PHE   75  HA   3.30      QG2 PHE   75 2HB   5.50  0EGR 683
NOEUPP  ILE   69  QG2 PHE   75  CG   7.50      QG2 TRP   78 2HB   5.50  0EGR 684
NOEUPP  ILE   69  QG2 TRP   78  HD1  5.50      QD1 PHE   75  CG   7.50  0EGR 685
NOEUPP  ILE   69  QD1 TRP   78  HD1  5.50      QD1 TRP   78  HE1  5.50  0EGR 686
NOEUPP  ILE   69  QD1 TRP   78  HZ2  5.50                               0EGR 687
NOEUPP  TYR   72  HA  TYR   72 2HB   3.00      HA  PHE   75  HN   4.30  0EGR 688
NOEUPP  TYR   72  HA  PHE   75 2HB   4.00      HA  PHE   75 3HB   3.60  0EGR 689
NOEUPP  TYR   72 3HB  THR   73  HN   4.50      CG  THR   73  HA   6.50  0EGR 690
NOEUPP  TYR   72  CG  THR   73  QG2  7.50      CZ  THR   73  HA   6.50  0EGR 691
NOEUPP  TYR   72  CZ  THR   73  QG2  7.50      CZ  ALA   76  QB   7.50  0EGR 692
NOEUPP  THR   73  HN  THR   73  HB   4.20      HN  ASP   74  HN   4.50  0EGR 693
NOEUPP  THR   73  HA  THR   73  HB   2.90      HA  ALA   76  HN   3.80  0EGR 694
NOEUPP  THR   73  HA  ALA   76  QB   4.40      HB  ASP   74  HN   4.20  0EGR 695
NOEUPP  ASP   74  HN  ASP   74  QB   3.90      HN  PHE   75  HN   4.40  0EGR 696
NOEUPP  ASP   74  HA  ALA   77  HN   4.50      HA  ALA   77  QB   5.50  0EGR 697
NOEUPP  ASP   74  QB  PHE   75  HN   4.38                               0EGR 698
NOEUPP  PHE   75  HN  PHE   75 2HB   3.30      HN  PHE   75 3HB   3.10  0EGR 699
NOEUPP  PHE   75  HN  ALA   76  HN   3.50      HA  PHE   75 2HB   3.00  0EGR 700
NOEUPP  PHE   75  HA  TRP   78  HN   4.30      HA  TRP   78 2HB   3.50  0EGR 701
NOEUPP  PHE   75  HA  TRP   78 3HB   3.10     3HB  ALA   76  HN   3.40  0EGR 702
NOEUPP  PHE   75  CG  ALA   76  HN   6.50      CG  TRP   78 3HB   6.50  0EGR 703
NOEUPP  PHE   75  CG  TRP   78  HE3  6.50      CZ  TRP   78  HE3  6.50  0EGR 704
NOEUPP  PHE   75  CZ  TRP   78  HZ3  6.50      HZ  VAL   79  QG2  5.50  0EGR 705
NOEUPP  ALA   76  HN  ALA   76  QB   3.50      HN  ALA   77  HN   3.30  0EGR 706
NOEUPP  ALA   76  HN  TRP   78  HN   4.30      HA  VAL   79  HN   4.10  0EGR 707
NOEUPP  ALA   76  HA  VAL   79  HB   3.00      HA  VAL   79  QG2  5.50  0EGR 708
NOEUPP  ALA   77  HN  ALA   77  QB   3.10      HN  TRP   78  HN   3.20  0EGR 709
NOEUPP  ALA   77  HA  LYS   80  HN   3.80      HA  LYS   80  QB   3.34  0EGR 710
NOEUPP  ALA   77  HA  LYS   80 2HB   3.60      HA  LYS   80 3HB   3.60  0EGR 711
NOEUPP  ALA   77  HA  LYS   80  QG   5.28      QB  TRP   78  HN   4.40  0EGR 712
NOEUPP  TRP   78  HN  TRP   78 2HB   2.90      HN  TRP   78 3HB   2.80  0EGR 713
NOEUPP  TRP   78  HN  VAL   79  HN   3.30      HA  TRP   78 2HB   2.90  0EGR 714
NOEUPP  TRP   78  HA  TRP   78  HD1  3.80      HA  TRP   78  HE3  4.50  0EGR 715
NOEUPP  TRP   78  HA  GLU   81  HN   4.40      HA  GLU   81  QB   5.38  0EGR 716
NOEUPP  TRP   78  HA  ASN   82 1HD2  3.70     2HB  TRP   78  HD1  3.50  0EGR 717
NOEUPP  TRP   78 3HB  TRP   78  HE3  3.60     3HB  VAL   79  HN   3.40  0EGR 718
NOEUPP  TRP   78  HD1 ASN   82 1HD2  4.50      HE1 ASN   82 2HD2  4.50  0EGR 719
NOEUPP  TRP   78  HE3 VAL   79  HA   3.20      HE3 VAL   79  QG1  5.50  0EGR 720
NOEUPP  TRP   78  HE3 VAL   79  QG2  3.20      HZ2 LEU   83  QD2  5.50  0EGR 721
NOEUPP  TRP   78  HZ3 VAL   79  QG2  5.50      HZ3 LEU   83  HG   4.50  0EGR 722
NOEUPP  TRP   78  HZ3 LEU   83  QD1  4.50      HZ3 LEU   83  QD2  5.50  0EGR 723
NOEUPP  TRP   78  HH2 LEU   83  QD1  5.50      HH2 LEU   83  QD2  5.50  0EGR 724
NOEUPP  VAL   79  HN  VAL   79  HB   2.80      HN  VAL   79  QG2  4.00  0EGR 725
NOEUPP  VAL   79  HN  LYS   80  HN   3.30      HA  VAL   79  QG2  3.20  0EGR 726
NOEUPP  VAL   79  HA  ASN   82  HN   4.10      HA  ASN   82  QB   5.08  0EGR 727
NOEUPP  VAL   79  HA  LEU   83 2HB   4.40      HA  LEU   83  HG   3.40  0EGR 728
NOEUPP  VAL   79  HA  LEU   83  QD1  5.50      HB  LYS   80  HN   3.30  0EGR 729
NOEUPP  VAL   79  QG1 LYS   80  HN   5.50      QG1 LYS   80  HA   5.50  0EGR 730
NOEUPP  VAL   79  QG1 LEU   83 3HB   5.20      QG2 LYS   80  HN   5.50  0EGR 731
NOEUPP  LYS   80  HN  GLU   81  HN   3.10     2HB  GLU   81  HN   4.50  0EGR 732
NOEUPP  LYS   80 3HB  GLU   81  HN   4.50                               0EGR 733
NOEUPP  GLU   81  HN  GLU   81  QG   5.38      HA  ASP   84  HN   4.40  0EGR 734
NOEUPP  GLU   81  HA  ASP   84 2HB   4.50      HA  ASP   84 3HB   4.50  0EGR 735
NOEUPP  GLU   81 2HB  ASN   82  HN   4.50     3HB  ASN   82  HN   4.50  0EGR 736
NOEUPP  ASN   82  HN  ASN   82  QB   3.55      HN  ASN   82 1HD2  3.90  0EGR 737
NOEUPP  ASN   82  HN  LEU   83  HN   4.50                               0EGR 738
NOEUPP  LEU   83  HN  LEU   83 2HB   3.20      HN  LEU   83  HG   4.30  0EGR 739
NOEUPP  LEU   83  HN  LEU   83  QD2  5.50      HN  ASP   84  HN   3.00  0EGR 740
NOEUPP  LEU   83  HA  LEU   83 3HB   2.80      HA  LEU   83  QD2  3.00  0EGR 741
NOEUPP  LEU   83 2HB  ASP   84  HN   3.90                               0EGR 742
NOEUPP  ASP   84  HN  ASP   84  HA   2.90      HN  ASP   84  QB   3.40  0EGR 743
NOEUPP  ASP   84  HN  ASP   84 2HB   3.80      HN  ASP   84 3HB   3.80  0EGR 744
NOEUPP  ASP   84  HN  ALA   85  HN   3.50      HA  ALA   85  HN   3.30  0EGR 745
ANGLE   GLN    2 PHI   -155.00  -85.00                                  0EGR 746
ANGLE   THR    3 PHI     55.00  275.00                                  0EGR 747
ANGLE   VAL    4 PHI   -155.00  -85.00                                  0EGR 748
ANGLE   ILE    5 PHI   -155.00  -85.00                                  0EGR 749
ANGLE   PHE    6 PHI     45.00  285.00                                  0EGR 750
ANGLE   ARG    8 PHI     35.00  285.00                                  0EGR 751
ANGLE   SER    9 PHI     35.00  305.00                                  0EGR 752
ANGLE   CYS   11 PHI     35.00  285.00                                  0EGR 753
ANGLE   TYR   13 PHI     45.00  285.00                                  0EGR 754
ANGLE   CYS   14 PHI     65.00  305.00                                  0EGR 755
ANGLE   VAL   15 PHI   -175.00  -45.00                                  0EGR 756
ANGLE   ARG   16 PHI    165.00  315.00                                  0EGR 757
ANGLE   LYS   18 PHI    -75.00  -45.00                                  0EGR 758
ANGLE   ASP   19 PHI    -65.00  -35.00                                  0EGR 759
ANGLE   LEU   20 PHI    -75.00  -45.00                                  0EGR 760
ANGLE   GLU   22 PHI    -65.00  -35.00                                  0EGR 761
ANGLE   LYS   23 PHI    175.00  315.00                                  0EGR 762
ANGLE   LEU   24 PHI    -65.00  -35.00                                  0EGR 763
ANGLE   SER   25 PHI    165.00  325.00                                  0EGR 764
ANGLE   ASN   26 PHI   -165.00  -75.00                                  0EGR 765
ANGLE   GLU   27 PHI   -165.00  -75.00                                  0EGR 766
ANGLE   ARG   28 PHI   -155.00  -85.00                                  0EGR 767
ANGLE   ASP   29 PHI     35.00  295.00                                  0EGR 768
ANGLE   ASP   30 PHI   -155.00  -85.00                                  0EGR 769
ANGLE   PHE   31 PHI   -155.00  -85.00                                  0EGR 770
ANGLE   GLN   32 PHI   -155.00  -85.00                                  0EGR 771
ANGLE   TYR   33 PHI     45.00  285.00                                  0EGR 772
ANGLE   GLN   34 PHI   -155.00  -85.00                                  0EGR 773
ANGLE   TYR   35 PHI   -155.00  -85.00                                  0EGR 774
ANGLE   VAL   36 PHI   -155.00  -85.00                                  0EGR 775
ANGLE   ASP   37 PHI     35.00  285.00                                  0EGR 776
ANGLE   ILE   38 PHI    155.00  325.00                                  0EGR 777
ANGLE   ARG   39 PHI    -95.00  -75.00                                  0EGR 778
ANGLE   GLU   41 PHI   -165.00  -75.00                                  0EGR 779
ANGLE   ILE   43 PHI     45.00  285.00                                  0EGR 780
ANGLE   THR   44 PHI     45.00  285.00                                  0EGR 781
ANGLE   LYS   45 PHI    165.00  315.00                                  0EGR 782
ANGLE   GLU   46 PHI    165.00  315.00                                  0EGR 783
ANGLE   ASP   47 PHI   -175.00  -45.00                                  0EGR 784
ANGLE   LEU   48 PHI    175.00  305.00                                  0EGR 785
ANGLE   GLN   49 PHI    175.00  315.00                                  0EGR 786
ANGLE   GLN   50 PHI    -75.00  -45.00                                  0EGR 787
ANGLE   LYS   51 PHI    175.00  305.00                                  0EGR 788
ANGLE   LYS   54 PHI     35.00  295.00                                  0EGR 789
ANGLE   VAL   56 PHI     35.00  285.00                                  0EGR 790
ANGLE   THR   58 PHI     45.00  285.00                                  0EGR 791
ANGLE   VAL   59 PHI     45.00  285.00                                  0EGR 792
ANGLE   ILE   62 PHI   -155.00  -85.00                                  0EGR 793
ANGLE   PHE   63 PHI   -155.00  -85.00                                  0EGR 794
ANGLE   ASP   65 PHI     55.00  295.00                                  0EGR 795
ANGLE   GLN   66 PHI     35.00  305.00                                  0EGR 796
ANGLE   GLN   67 PHI     45.00  285.00                                  0EGR 797
ANGLE   HIS   68 PHI   -165.00   45.00                                  0EGR 798
ANGLE   ILE   69 PHI   -155.00  -85.00                                  0EGR 799
ANGLE   ASP   74 PHI    165.00  315.00                                  0EGR 800
ANGLE   PHE   75 PHI    -75.00  -45.00                                  0EGR 801
ANGLE   TRP   78 PHI    -65.00  -35.00                                  0EGR 802
ANGLE   VAL   79 PHI    -75.00  -45.00                                  0EGR 803
ANGLE   LYS   80 PHI     85.00  315.00                                  0EGR 804
ANGLE   GLU   81 PHI     35.00  305.00                                  0EGR 805
ANGLE   ASN   82 PHI   -155.00  -85.00                                  0EGR 806
ANGLE   LEU   83 PHI   -155.00  -85.00                                  0EGR 807
ANGLE   ASP   84 PHI     35.00  285.00                                  0EGR 808
ANGLE   PHE    6 CHI1   135.00  345.00                                  0EGR 809
ANGLE   ARG    8 CHI1    25.00  255.00                                  0EGR 810
ANGLE   CYS   11 CHI1   135.00  345.00                                  0EGR 811
ANGLE   TYR   13 CHI1   145.00  335.00                                  0EGR 812
ANGLE   CYS   14 CHI1   155.00  325.00                                  0EGR 813
ANGLE   ARG   16 CHI1   145.00  335.00                                  0EGR 814
ANGLE   LYS   18 CHI1   145.00  225.00                                  0EGR 815
ANGLE   ASP   19 CHI1   145.00  335.00                                  0EGR 816
ANGLE   LEU   20 CHI1   145.00  225.00                                  0EGR 817
ANGLE   GLU   22 CHI1   135.00  185.00                                  0EGR 818
ANGLE   LYS   23 CHI1   175.00  225.00                                  0EGR 819
ANGLE   LEU   24 CHI1   155.00  325.00                                  0EGR 820
ANGLE   SER   25 CHI1    35.00  255.00                                  0EGR 821
ANGLE   ASN   26 CHI1   145.00  185.00                                  0EGR 822
ANGLE   GLU   27 CHI1   145.00  335.00                                  0EGR 823
ANGLE   ASP   29 CHI1  -135.00   65.00                                  0EGR 824
ANGLE   PHE   31 CHI1   145.00  335.00                                  0EGR 825
ANGLE   GLN   32 CHI1   145.00  335.00                                  0EGR 826
ANGLE   GLN   34 CHI1  -135.00  155.00                                  0EGR 827
ANGLE   TYR   35 CHI1   145.00  335.00                                  0EGR 828
ANGLE   GLU   41 CHI1   145.00  335.00                                  0EGR 829
ANGLE   LYS   45 CHI1  -315.00   25.00                                  0EGR 830
ANGLE   GLU   46 CHI1   145.00  335.00                                  0EGR 831
ANGLE   ASP   47 CHI1   145.00  335.00                                  0EGR 832
ANGLE   LEU   48 CHI1   145.00  335.00                                  0EGR 833
ANGLE   GLN   49 CHI1  -225.00   15.00                                  0EGR 834
ANGLE   LYS   51 CHI1  -215.00   25.00                                  0EGR 835
ANGLE   GLN   61 CHI1   155.00  325.00                                  0EGR 836
ANGLE   PHE   63 CHI1   155.00  325.00                                  0EGR 837
ANGLE   ASP   65 CHI1   145.00  335.00                                  0EGR 838
ANGLE   HIS   68 CHI1   145.00  215.00                                  0EGR 839
ANGLE   TYR   72 CHI1   135.00  345.00                                  0EGR 840
ANGLE   ASP   74 CHI1   145.00  335.00                                  0EGR 841
ANGLE   PHE   75 CHI1   145.00  185.00                                  0EGR 842
ANGLE   TRP   78 CHI1   145.00  215.00                                  0EGR 843
ANGLE   VAL   79 CHI1    65.00  215.00                                  0EGR 844
ANGLE   ASN   82 CHI1   155.00  325.00                                  0EGR 845
ANGLE   LEU   83 CHI1   145.00  335.00                                  0EGR 846
MASTER        0    0  170  142  426    0  101                           0EGR 847
END                                                                     0EGR 848


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 870 H/Q atoms
  Start of MODEL    1
    1    H    MET   1           HN       MET   1  -6.812  -4.538   7.096
    2    HA   MET   1           HA       MET   1  -6.123  -2.962   9.332
    3   1HB   MET   1          2HB       MET   1  -3.857  -3.800   8.906
    4   2HB   MET   1          3HB       MET   1  -5.019  -5.093   8.737
    5   1HG   MET   1          2HG       MET   1  -3.917  -3.485   6.418
    6   2HG   MET   1          3HG       MET   1  -3.285  -5.025   6.923
    7   1HE   MET   1          2HE       MET   1  -5.163  -7.043   7.353
    8   2HE   MET   1          3HE       MET   1  -5.649  -7.637   5.768
    9   3HE   MET   1          1HE       MET   1  -3.968  -7.208   6.062
   10    QB   MET   1           QB       MET   1  -4.438  -4.446   8.821
   11    QG   MET   1           QG       MET   1  -3.601  -4.255   6.670
   12    QE   MET   1           QE       MET   1  -4.927  -7.296   6.394
   13    H    GLN   2           HN       GLN   2  -3.612  -1.818   8.719
   14    HA   GLN   2           HA       GLN   2  -4.460   0.467   7.074
   15   1HB   GLN   2          2HB       GLN   2  -2.483   0.151   9.336
   16   2HB   GLN   2          3HB       GLN   2  -2.601   1.601   8.377
   17   1HG   GLN   2          2HG       GLN   2  -4.670   2.201   9.242
   18   2HG   GLN   2          3HG       GLN   2  -5.148   0.533   9.540
   19   1HE2  GLN   2          2HE2      GLN   2  -2.971   0.455  12.537
   20   2HE2  GLN   2          1HE2      GLN   2  -3.031  -0.430  11.088
   21    QB   GLN   2           QB       GLN   2  -2.542   0.876   8.856
   22    QG   GLN   2           QG       GLN   2  -4.909   1.367   9.391
   23    QE2  GLN   2           QE2      GLN   2  -3.001   0.013  11.812
   24    H    THR   3           HN       THR   3  -3.772   0.076   5.084
   25    HA   THR   3           HA       THR   3  -1.020  -0.938   4.595
   26    HB   THR   3           HB       THR   3  -3.276  -0.249   2.638
   27    HG1  THR   3          1HG       THR   3  -3.976  -2.013   3.597
   28   1HG2  THR   3          2HG2      THR   3  -0.757  -1.955   2.331
   29   2HG2  THR   3          3HG2      THR   3  -1.979  -1.693   1.092
   30   3HG2  THR   3          1HG2      THR   3  -0.955  -0.359   1.613
   31    QG2  THR   3           QG2      THR   3  -1.230  -1.336   1.679
   32    H    VAL   4           HN       VAL   4   0.589   0.448   4.064
   33    HA   VAL   4           HA       VAL   4  -0.210   3.279   3.450
   34    HB   VAL   4           HB       VAL   4   2.266   2.342   4.937
   35   1HG1  VAL   4          3HG1      VAL   4   1.134   5.117   4.446
   36   2HG1  VAL   4          1HG1      VAL   4   2.546   4.757   5.430
   37   3HG1  VAL   4          2HG1      VAL   4   2.586   4.455   3.698
   38   1HG2  VAL   4          3HG2      VAL   4   0.195   2.014   6.271
   39   2HG2  VAL   4          1HG2      VAL   4   1.197   3.293   6.944
   40   3HG2  VAL   4          2HG2      VAL   4  -0.234   3.698   6.003
   41    QG1  VAL   4           QG1      VAL   4   2.089   4.776   4.525
   42    QG2  VAL   4           QG2      VAL   4   0.386   3.002   6.406
   43    QQG  VAL   4           QQG      VAL   4   1.237   3.889   5.465
   44    H    ILE   5           HN       ILE   5   0.587   4.148   1.690
   45    HA   ILE   5           HA       ILE   5   2.636   2.647   0.111
   46    HB   ILE   5           HB       ILE   5   0.613   4.788  -0.730
   47   1HG1  ILE   5          2HG1      ILE   5  -0.343   3.146  -2.222
   48   2HG1  ILE   5          3HG1      ILE   5   0.865   1.963  -1.777
   49   1HG2  ILE   5          3HG2      ILE   5   2.785   3.400  -2.353
   50   2HG2  ILE   5          1HG2      ILE   5   1.520   4.418  -3.039
   51   3HG2  ILE   5          2HG2      ILE   5   2.714   5.113  -1.949
   52   1HD1  ILE   5          2HD1      ILE   5  -1.169   3.138   0.145
   53   2HD1  ILE   5          3HD1      ILE   5  -1.324   1.569  -0.637
   54   3HD1  ILE   5          1HD1      ILE   5  -0.030   1.848   0.510
   55    QG1  ILE   5           QG1      ILE   5   0.261   2.555  -2.000
   56    QG2  ILE   5           QG2      ILE   5   2.340   4.310  -2.447
   57    QD1  ILE   5           QD1      ILE   5  -0.841   2.185   0.006
   58    H    PHE   6           HN       PHE   6   4.624   3.556   0.239
   59    HA   PHE   6           HA       PHE   6   4.850   6.485   0.847
   60   1HB   PHE   6          2HB       PHE   6   6.292   4.088   1.879
   61   2HB   PHE   6          3HB       PHE   6   7.350   5.388   1.348
   62    HD1  PHE   6           HD1      PHE   6   6.312   7.842   2.103
   63    HD2  PHE   6           HD2      PHE   6   5.798   4.155   4.180
   64    HE1  PHE   6           HE1      PHE   6   5.958   9.071   4.196
   65    HE2  PHE   6           HE2      PHE   6   5.463   5.391   6.279
   66    HZ   PHE   6           HZ       PHE   6   5.522   7.849   6.286
   67    QB   PHE   6           QB       PHE   6   6.821   4.738   1.613
   68    QR   PHE   6           QR       PHE   6   5.883   6.615   4.189
   69    H    GLY   7           HN       GLY   7   4.735   7.044  -1.336
   70   1HA   GLY   7          1HA       GLY   7   6.936   5.909  -3.019
   71   2HA   GLY   7          2HA       GLY   7   5.324   6.111  -3.667
   72    QA   GLY   7           QA       GLY   7   6.130   6.010  -3.343
   73    NH1  ARG   8           NH2      ARG   8   8.480  12.964  -3.771
   74    NH2  ARG   8           NH1      ARG   8   6.879  13.149  -5.368
   75    H    ARG   8           HN       ARG   8   6.577   7.217  -5.293
   76    HA   ARG   8           HA       ARG   8   7.256  10.030  -4.534
   77   1HB   ARG   8          2HB       ARG   8   8.898   8.198  -5.723
   78   2HB   ARG   8          3HB       ARG   8   8.184   8.922  -7.155
   79   1HG   ARG   8          2HG       ARG   8   9.417  10.556  -4.909
   80   2HG   ARG   8          3HG       ARG   8  10.330  10.019  -6.310
   81   1HD   ARG   8          2HD       ARG   8   9.387  11.583  -7.678
   82   2HD   ARG   8          3HD       ARG   8   7.779  11.352  -6.999
   83    HE   ARG   8           HE       ARG   8   9.737  13.347  -6.111
   84   1HH1  ARG   8          2HH2      ARG   8   9.429  12.754  -3.540
   85   2HH1  ARG   8          1HH2      ARG   8   7.806  13.134  -3.047
   86   1HH2  ARG   8          2HH1      ARG   8   6.636  13.131  -6.342
   87   2HH2  ARG   8          1HH1      ARG   8   6.145  13.269  -4.687
   88    QB   ARG   8           QB       ARG   8   8.541   8.560  -6.439
   89    QG   ARG   8           QG       ARG   8   9.873  10.288  -5.610
   90    QD   ARG   8           QD       ARG   8   8.583  11.468  -7.339
   91    QH1  ARG   8           QH2      ARG   8   8.617  12.944  -3.294
   92    QH2  ARG   8           QH1      ARG   8   6.390  13.200  -5.515
   93    H    SER   9           HN       SER   9   5.230  10.956  -4.781
   94    HA   SER   9           HA       SER   9   3.380  10.539  -6.855
   95   1HB   SER   9          2HB       SER   9   2.846  13.096  -6.407
   96   2HB   SER   9          3HB       SER   9   2.628  11.951  -5.073
   97    HG   SER   9           HG       SER   9   4.196  12.924  -4.060
   98    QB   SER   9           QB       SER   9   2.737  12.524  -5.740
   99    H    GLY  10           HN       GLY  10   3.172  11.410  -8.926
  100   1HA   GLY  10          1HA       GLY  10   3.941  13.066 -10.638
  101   2HA   GLY  10          2HA       GLY  10   5.564  12.911  -9.952
  102    QA   GLY  10           QA       GLY  10   4.752  12.989 -10.295
  103    H    CYS  11           HN       CYS  11   5.430  10.105  -9.496
  104    HA   CYS  11           HA       CYS  11   5.812   9.165 -12.293
  105   1HB   CYS  11          2HB       CYS  11   6.527   7.856  -9.658
  106   2HB   CYS  11          3HB       CYS  11   6.982   7.272 -11.237
  107    HG   CYS  11           HG       CYS  11   8.836   8.952 -11.370
  108    QB   CYS  11           QB       CYS  11   6.754   7.564 -10.448
  109    HA   PRO  12           HA       PRO  12   1.993   6.734 -11.823
  110   1HB   PRO  12          2HB       PRO  12   2.901   5.366 -14.283
  111   2HB   PRO  12          3HB       PRO  12   1.424   6.293 -14.004
  112   1HG   PRO  12          2HG       PRO  12   3.485   7.229 -15.560
  113   2HG   PRO  12          3HG       PRO  12   2.414   8.307 -14.655
  114   1HD   PRO  12          2HD       PRO  12   5.230   7.463 -14.010
  115   2HD   PRO  12          3HD       PRO  12   4.413   9.013 -13.699
  116    QB   PRO  12           QB       PRO  12   2.162   5.830 -14.144
  117    QG   PRO  12           QG       PRO  12   2.949   7.768 -15.108
  118    QD   PRO  12           QD       PRO  12   4.821   8.238 -13.855
  119    OH   TYR  13           OH       TYR  13   9.155  -0.292 -10.996
  120    H    TYR  13           HN       TYR  13   3.982   5.999 -10.183
  121    HA   TYR  13           HA       TYR  13   4.402   3.076 -10.699
  122   1HB   TYR  13          2HB       TYR  13   6.283   5.034 -10.076
  123   2HB   TYR  13          3HB       TYR  13   5.954   4.320  -8.506
  124    HD1  TYR  13           HD1      TYR  13   5.816   1.598  -8.584
  125    HD2  TYR  13           HD2      TYR  13   7.930   4.030 -11.368
  126    HE1  TYR  13           HE1      TYR  13   7.226  -0.313  -9.192
  127    HE2  TYR  13           HE2      TYR  13   9.336   2.117 -11.967
  128    HH   TYR  13           HH       TYR  13   8.639  -1.095 -10.882
  129    QB   TYR  13           QB       TYR  13   6.118   4.677  -9.291
  130    QR   TYR  13           QR       TYR  13   7.577   1.858 -10.278
  131    H    CYS  14           HN       CYS  14   4.160   5.303  -7.958
  132    HA   CYS  14           HA       CYS  14   3.186   3.458  -6.032
  133   1HB   CYS  14          2HB       CYS  14   2.183   6.274  -6.013
  134   2HB   CYS  14          3HB       CYS  14   2.796   5.306  -4.695
  135    HG   CYS  14           HG       CYS  14   5.205   5.904  -5.408
  136    QB   CYS  14           QB       CYS  14   2.489   5.790  -5.354
  137    H    VAL  15           HN       VAL  15   1.650   5.250  -8.546
  138    HA   VAL  15           HA       VAL  15  -1.034   5.240  -7.973
  139    HB   VAL  15           HB       VAL  15   0.258   4.423 -10.616
  140   1HG1  VAL  15          2HG1      VAL  15  -2.187   3.893 -10.521
  141   2HG1  VAL  15          3HG1      VAL  15  -2.512   5.559 -10.060
  142   3HG1  VAL  15          1HG1      VAL  15  -1.844   5.201 -11.647
  143   1HG2  VAL  15          3HG2      VAL  15  -0.645   7.117  -9.530
  144   2HG2  VAL  15          1HG2      VAL  15   1.024   6.612  -9.764
  145   3HG2  VAL  15          2HG2      VAL  15  -0.029   6.837 -11.156
  146    QG1  VAL  15           QG1      VAL  15  -2.181   4.884 -10.743
  147    QG2  VAL  15           QG2      VAL  15   0.117   6.855 -10.150
  148    QQG  VAL  15           QQG      VAL  15  -1.032   5.870 -10.446
  149    NH1  ARG  16           NH1      ARG  16  -2.826  -0.870 -10.254
  150    NH2  ARG  16           NH2      ARG  16  -3.729   0.615 -11.706
  151    H    ARG  16           HN       ARG  16   0.869   2.438  -9.067
  152    HA   ARG  16           HA       ARG  16  -1.379   0.656  -9.229
  153   1HB   ARG  16          2HB       ARG  16   1.555   0.069  -8.742
  154   2HB   ARG  16          3HB       ARG  16   0.360  -1.146  -9.123
  155   1HG   ARG  16          2HG       ARG  16   0.950   1.207 -10.942
  156   2HG   ARG  16          3HG       ARG  16   1.747  -0.349 -11.091
  157   1HD   ARG  16          2HD       ARG  16  -0.056  -0.448 -12.644
  158   2HD   ARG  16          3HD       ARG  16  -0.609  -1.387 -11.262
  159    HE   ARG  16           HE       ARG  16  -1.376   1.492 -11.600
  160   1HH1  ARG  16          2HH1      ARG  16  -2.022  -1.330  -9.875
  161   2HH1  ARG  16          1HH1      ARG  16  -3.748  -1.126  -9.930
  162   1HH2  ARG  16          2HH2      ARG  16  -3.611   1.320 -12.399
  163   2HH2  ARG  16          1HH2      ARG  16  -4.656   0.326 -11.429
  164    QB   ARG  16           QB       ARG  16   0.957  -0.538  -8.933
  165    QG   ARG  16           QG       ARG  16   1.348   0.429 -11.017
  166    QD   ARG  16           QD       ARG  16  -0.333  -0.917 -11.953
  167    QH1  ARG  16           QH1      ARG  16  -2.885  -1.228  -9.903
  168    QH2  ARG  16           QH2      ARG  16  -4.134   0.823 -11.914
  169    H    ALA  17           HN       ALA  17   1.024   1.090  -6.670
  170    HA   ALA  17           HA       ALA  17  -0.137  -0.773  -4.850
  171   1HB   ALA  17          3HB       ALA  17   2.123   0.179  -4.537
  172   2HB   ALA  17          1HB       ALA  17   1.415   1.762  -4.226
  173   3HB   ALA  17          2HB       ALA  17   1.129   0.428  -3.109
  174    QB   ALA  17           QB       ALA  17   1.556   0.790  -3.957
  175    H    LYS  18           HN       LYS  18  -0.659   2.717  -5.228
  176    HA   LYS  18           HA       LYS  18  -2.508   2.990  -3.049
  177   1HB   LYS  18          2HB       LYS  18  -1.476   4.920  -4.378
  178   2HB   LYS  18          3HB       LYS  18  -2.653   4.576  -5.637
  179   1HG   LYS  18          2HG       LYS  18  -4.313   4.633  -3.470
  180   2HG   LYS  18          3HG       LYS  18  -3.056   5.723  -2.905
  181   1HD   LYS  18          2HD       LYS  18  -4.615   7.144  -4.002
  182   2HD   LYS  18          3HD       LYS  18  -3.311   6.945  -5.165
  183   1HE   LYS  18          2HE       LYS  18  -5.393   6.625  -6.363
  184   2HE   LYS  18          3HE       LYS  18  -4.646   5.042  -6.203
  185   1HZ   LYS  18          3HZ       LYS  18  -6.308   5.575  -3.945
  186   2HZ   LYS  18          1HZ       LYS  18  -7.194   5.791  -5.372
  187   3HZ   LYS  18          2HZ       LYS  18  -6.419   4.317  -5.095
  188    QB   LYS  18           QB       LYS  18  -2.065   4.748  -5.008
  189    QG   LYS  18           QG       LYS  18  -3.685   5.178  -3.188
  190    QD   LYS  18           QD       LYS  18  -3.963   7.045  -4.584
  191    QE   LYS  18           QE       LYS  18  -5.020   5.834  -6.283
  192    QZ   LYS  18           QZ       LYS  18  -6.640   5.228  -4.804
  193    H    ASP  19           HN       ASP  19  -3.071   2.533  -6.534
  194    HA   ASP  19           HA       ASP  19  -5.881   2.308  -6.451
  195   1HB   ASP  19          2HB       ASP  19  -4.718   2.422  -8.581
  196   2HB   ASP  19          3HB       ASP  19  -3.784   0.983  -8.222
  197    QB   ASP  19           QB       ASP  19  -4.251   1.703  -8.402
  198    H    LEU  20           HN       LEU  20  -3.474  -0.312  -6.286
  199    HA   LEU  20           HA       LEU  20  -5.303  -2.416  -5.828
  200   1HB   LEU  20          2HB       LEU  20  -2.953  -2.885  -6.283
  201   2HB   LEU  20          3HB       LEU  20  -2.453  -2.064  -4.815
  202    HG   LEU  20           HG       LEU  20  -3.387  -3.785  -3.412
  203   1HD1  LEU  20          1HD1      LEU  20  -4.597  -4.959  -5.951
  204   2HD1  LEU  20          2HD1      LEU  20  -4.647  -5.711  -4.364
  205   3HD1  LEU  20          3HD1      LEU  20  -5.497  -4.202  -4.643
  206   1HD2  LEU  20          3HD2      LEU  20  -2.038  -5.020  -5.840
  207   2HD2  LEU  20          1HD2      LEU  20  -1.226  -4.354  -4.426
  208   3HD2  LEU  20          2HD2      LEU  20  -2.202  -5.814  -4.280
  209    QB   LEU  20           QB       LEU  20  -2.703  -2.474  -5.549
  210    QD1  LEU  20           QD1      LEU  20  -4.914  -4.957  -4.986
  211    QD2  LEU  20           QD2      LEU  20  -1.822  -5.063  -4.849
  212    QQD  LEU  20           QQD      LEU  20  -3.368  -5.010  -4.917
  213    H    ALA  21           HN       ALA  21  -3.339  -0.783  -3.334
  214    HA   ALA  21           HA       ALA  21  -4.606  -1.843  -1.082
  215   1HB   ALA  21          2HB       ALA  21  -2.592  -0.401  -1.018
  216   2HB   ALA  21          3HB       ALA  21  -3.575   0.992  -1.449
  217   3HB   ALA  21          1HB       ALA  21  -3.821   0.180   0.093
  218    QB   ALA  21           QB       ALA  21  -3.329   0.257  -0.791
  219    H    GLU  22           HN       GLU  22  -5.518   1.003  -2.938
  220    HA   GLU  22           HA       GLU  22  -7.725   1.862  -1.386
  221   1HB   GLU  22          2HB       GLU  22  -6.701   3.170  -3.240
  222   2HB   GLU  22          3HB       GLU  22  -7.303   1.991  -4.382
  223   1HG   GLU  22          2HG       GLU  22  -9.634   2.484  -3.711
  224   2HG   GLU  22          3HG       GLU  22  -9.045   3.685  -2.570
  225    QB   GLU  22           QB       GLU  22  -7.002   2.581  -3.811
  226    QG   GLU  22           QG       GLU  22  -9.340   3.085  -3.141
  227    H    LYS  23           HN       LYS  23  -7.640  -0.120  -4.245
  228    HA   LYS  23           HA       LYS  23 -10.410  -0.642  -4.428
  229   1HB   LYS  23          2HB       LYS  23  -8.152  -1.259  -5.921
  230   2HB   LYS  23          3HB       LYS  23  -8.557  -2.817  -5.251
  231   1HG   LYS  23          2HG       LYS  23  -9.634  -2.414  -7.459
  232   2HG   LYS  23          3HG       LYS  23 -10.787  -2.729  -6.182
  233   1HD   LYS  23          2HD       LYS  23 -11.552  -0.909  -7.646
  234   2HD   LYS  23          3HD       LYS  23 -11.328  -0.326  -6.022
  235   1HE   LYS  23          2HE       LYS  23  -9.308   0.014  -8.271
  236   2HE   LYS  23          3HE       LYS  23 -10.470   1.239  -7.788
  237   1HZ   LYS  23          3HZ       LYS  23  -9.025   0.354  -5.525
  238   2HZ   LYS  23          1HZ       LYS  23  -7.940   0.794  -6.768
  239   3HZ   LYS  23          2HZ       LYS  23  -9.091   1.923  -6.197
  240    QB   LYS  23           QB       LYS  23  -8.355  -2.038  -5.586
  241    QG   LYS  23           QG       LYS  23 -10.211  -2.571  -6.821
  242    QD   LYS  23           QD       LYS  23 -11.440  -0.617  -6.834
  243    QE   LYS  23           QE       LYS  23  -9.889   0.627  -8.030
  244    QZ   LYS  23           QZ       LYS  23  -8.685   1.024  -6.163
  245    H    LEU  24           HN       LEU  24  -7.791  -2.457  -2.908
  246    HA   LEU  24           HA       LEU  24  -9.383  -4.486  -1.747
  247   1HB   LEU  24          2HB       LEU  24  -6.949  -3.086  -0.566
  248   2HB   LEU  24          3HB       LEU  24  -7.598  -4.617   0.003
  249    HG   LEU  24           HG       LEU  24  -6.683  -4.153  -2.856
  250   1HD1  LEU  24          1HD1      LEU  24  -5.209  -5.420  -0.521
  251   2HD1  LEU  24          2HD1      LEU  24  -4.651  -5.419  -2.187
  252   3HD1  LEU  24          3HD1      LEU  24  -4.783  -3.907  -1.303
  253   1HD2  LEU  24          1HD2      LEU  24  -7.286  -6.685  -1.280
  254   2HD2  LEU  24          2HD2      LEU  24  -8.286  -6.012  -2.565
  255   3HD2  LEU  24          3HD2      LEU  24  -6.686  -6.635  -2.933
  256    QB   LEU  24           QB       LEU  24  -7.274  -3.851  -0.282
  257    QD1  LEU  24           QD1      LEU  24  -4.881  -4.915  -1.337
  258    QD2  LEU  24           QD2      LEU  24  -7.419  -6.444  -2.259
  259    QQD  LEU  24           QQD      LEU  24  -6.150  -5.680  -1.798
  260    H    SER  25           HN       SER  25  -8.426  -1.368  -0.425
  261    HA   SER  25           HA       SER  25  -9.767  -1.191   1.941
  262   1HB   SER  25          2HB       SER  25  -8.394   0.633   0.748
  263   2HB   SER  25          3HB       SER  25  -9.918   1.098  -0.025
  264    HG   SER  25           HG       SER  25 -10.377   0.637   2.574
  265    QB   SER  25           QB       SER  25  -9.156   0.866   0.361
  266    H    ASN  26           HN       ASN  26 -11.237  -1.315  -1.145
  267    HA   ASN  26           HA       ASN  26 -13.923  -0.696  -0.005
  268   1HB   ASN  26          2HB       ASN  26 -13.143   0.637  -1.982
  269   2HB   ASN  26          3HB       ASN  26 -13.044  -0.850  -2.914
  270   1HD2  ASN  26          2HD2      ASN  26 -16.896  -0.647  -1.924
  271   2HD2  ASN  26          1HD2      ASN  26 -15.704  -1.201  -0.858
  272    QB   ASN  26           QB       ASN  26 -13.094  -0.106  -2.448
  273    QD2  ASN  26           QD2      ASN  26 -16.300  -0.924  -1.391
  274    H    GLU  27           HN       GLU  27 -12.076  -3.157  -1.707
  275    HA   GLU  27           HA       GLU  27 -14.291  -4.937  -2.219
  276   1HB   GLU  27          2HB       GLU  27 -11.316  -5.535  -1.878
  277   2HB   GLU  27          3HB       GLU  27 -12.494  -6.680  -2.497
  278   1HG   GLU  27          2HG       GLU  27 -12.820  -5.461  -4.494
  279   2HG   GLU  27          3HG       GLU  27 -12.168  -3.976  -3.813
  280    QB   GLU  27           QB       GLU  27 -11.905  -6.107  -2.188
  281    QG   GLU  27           QG       GLU  27 -12.494  -4.718  -4.154
  282    NH1  ARG  28           NH1      ARG  28 -10.400  -8.882   5.109
  283    NH2  ARG  28           NH2      ARG  28 -10.500 -10.952   4.132
  284    H    ARG  28           HN       ARG  28 -12.032  -4.468   0.432
  285    HA   ARG  28           HA       ARG  28 -13.614  -6.407   2.071
  286   1HB   ARG  28          2HB       ARG  28 -10.683  -5.668   2.360
  287   2HB   ARG  28          3HB       ARG  28 -11.562  -6.829   3.345
  288   1HG   ARG  28          2HG       ARG  28 -12.161  -7.802   0.879
  289   2HG   ARG  28          3HG       ARG  28 -10.603  -7.074   0.528
  290   1HD   ARG  28          2HD       ARG  28 -10.411  -9.470   1.237
  291   2HD   ARG  28          3HD       ARG  28  -9.545  -8.365   2.311
  292    HE   ARG  28           HE       ARG  28 -12.322  -9.072   3.098
  293   1HH1  ARG  28          2HH1      ARG  28 -10.622  -7.900   5.056
  294   2HH1  ARG  28          1HH1      ARG  28  -9.916  -9.224   5.913
  295   1HH2  ARG  28          2HH2      ARG  28 -10.776 -11.513   3.326
  296   2HH2  ARG  28          1HH2      ARG  28 -10.045 -11.396   4.898
  297    QB   ARG  28           QB       ARG  28 -11.123  -6.248   2.852
  298    QG   ARG  28           QG       ARG  28 -11.382  -7.438   0.703
  299    QD   ARG  28           QD       ARG  28  -9.978  -8.917   1.774
  300    QH1  ARG  28           QH1      ARG  28 -10.269  -8.562   5.484
  301    QH2  ARG  28           QH2      ARG  28 -10.411 -11.454   4.112
  302    H    ASP  29           HN       ASP  29 -14.786  -5.444   3.531
  303    HA   ASP  29           HA       ASP  29 -14.689  -2.644   4.105
  304   1HB   ASP  29          2HB       ASP  29 -16.439  -3.220   5.794
  305   2HB   ASP  29          3HB       ASP  29 -16.766  -3.937   4.222
  306    QB   ASP  29           QB       ASP  29 -16.603  -3.578   5.008
  307    H    ASP  30           HN       ASP  30 -12.476  -4.791   5.141
  308    HA   ASP  30           HA       ASP  30 -12.131  -3.467   7.812
  309   1HB   ASP  30          2HB       ASP  30 -10.957  -5.453   8.538
  310   2HB   ASP  30          3HB       ASP  30 -12.405  -6.036   7.725
  311    QB   ASP  30           QB       ASP  30 -11.681  -5.744   8.131
  312    H    PHE  31           HN       PHE  31 -11.191  -3.137   4.765
  313    HA   PHE  31           HA       PHE  31  -8.286  -2.854   5.366
  314   1HB   PHE  31          2HB       PHE  31  -9.224  -4.383   3.549
  315   2HB   PHE  31          3HB       PHE  31  -9.635  -2.931   2.665
  316    HD1  PHE  31           HD1      PHE  31  -7.669  -1.241   2.232
  317    HD2  PHE  31           HD2      PHE  31  -7.061  -5.291   3.413
  318    HE1  PHE  31           HE1      PHE  31  -5.422  -1.186   1.274
  319    HE2  PHE  31           HE2      PHE  31  -4.805  -5.222   2.466
  320    HZ   PHE  31           HZ       PHE  31  -3.970  -3.165   1.417
  321    QB   PHE  31           QB       PHE  31  -9.430  -3.657   3.107
  322    QR   PHE  31           QR       PHE  31  -6.239  -3.235   2.346
  323    H    GLN  32           HN       GLN  32  -7.383  -0.901   5.480
  324    HA   GLN  32           HA       GLN  32  -8.709   1.432   4.133
  325   1HB   GLN  32          2HB       GLN  32  -7.218   1.486   6.795
  326   2HB   GLN  32          3HB       GLN  32  -8.063   2.831   6.040
  327   1HG   GLN  32          2HG       GLN  32 -10.210   1.826   6.431
  328   2HG   GLN  32          3HG       GLN  32  -9.487   0.278   6.858
  329   1HE2  GLN  32          2HE2      GLN  32  -9.972   3.035   9.732
  330   2HE2  GLN  32          1HE2      GLN  32 -10.656   3.189   8.187
  331    QB   GLN  32           QB       GLN  32  -7.641   2.159   6.417
  332    QG   GLN  32           QG       GLN  32  -9.849   1.052   6.644
  333    QE2  GLN  32           QE2      GLN  32 -10.314   3.112   8.959
  334    OH   TYR  33           OH       TYR  33  -6.771   6.098  -2.284
  335    H    TYR  33           HN       TYR  33  -7.101   2.990   3.300
  336    HA   TYR  33           HA       TYR  33  -4.295   2.005   3.505
  337   1HB   TYR  33          2HB       TYR  33  -3.927   1.988   1.202
  338   2HB   TYR  33          3HB       TYR  33  -5.551   1.332   1.321
  339    HD1  TYR  33           HD1      TYR  33  -7.520   2.771   0.728
  340    HD2  TYR  33           HD2      TYR  33  -3.535   4.179   0.234
  341    HE1  TYR  33           HE1      TYR  33  -8.308   4.447  -0.878
  342    HE2  TYR  33           HE2      TYR  33  -4.325   5.864  -1.351
  343    HH   TYR  33           HH       TYR  33  -7.730   5.970  -2.407
  344    QB   TYR  33           QB       TYR  33  -4.739   1.660   1.261
  345    QR   TYR  33           QR       TYR  33  -5.922   4.315  -0.317
  346    H    GLN  34           HN       GLN  34  -2.690   3.590   2.997
  347    HA   GLN  34           HA       GLN  34  -3.636   6.429   3.148
  348   1HB   GLN  34          2HB       GLN  34  -1.401   5.098   4.728
  349   2HB   GLN  34          3HB       GLN  34  -1.665   6.837   4.680
  350   1HG   GLN  34          2HG       GLN  34  -3.816   6.626   5.740
  351   2HG   GLN  34          3HG       GLN  34  -3.816   4.888   5.512
  352   1HE2  GLN  34          2HE2      GLN  34  -1.883   6.462   8.693
  353   2HE2  GLN  34          1HE2      GLN  34  -2.624   7.464   7.543
  354    QB   GLN  34           QB       GLN  34  -1.533   5.968   4.704
  355    QG   GLN  34           QG       GLN  34  -3.816   5.757   5.626
  356    QE2  GLN  34           QE2      GLN  34  -2.254   6.963   8.118
  357    OH   TYR  35           OH       TYR  35   2.792   9.891  -4.086
  358    H    TYR  35           HN       TYR  35  -2.573   7.818   1.807
  359    HA   TYR  35           HA       TYR  35  -0.229   6.714   0.301
  360   1HB   TYR  35          2HB       TYR  35  -2.063   7.330  -1.240
  361   2HB   TYR  35          3HB       TYR  35  -2.159   8.933  -0.509
  362    HD1  TYR  35           HD1      TYR  35  -0.250  10.555  -0.797
  363    HD2  TYR  35           HD2      TYR  35  -0.241   6.789  -2.794
  364    HE1  TYR  35           HE1      TYR  35   1.617  11.298  -2.190
  365    HE2  TYR  35           HE2      TYR  35   1.641   7.542  -4.175
  366    HH   TYR  35           HH       TYR  35   3.457  10.352  -3.542
  367    QB   TYR  35           QB       TYR  35  -2.111   8.132  -0.875
  368    QR   TYR  35           QR       TYR  35   0.692   9.046  -2.489
  369    H    VAL  36           HN       VAL  36   1.547   7.408   1.252
  370    HA   VAL  36           HA       VAL  36   1.605  10.229   2.239
  371    HB   VAL  36           HB       VAL  36   3.474   8.085   3.261
  372   1HG1  VAL  36          2HG1      VAL  36   3.812  10.475   3.870
  373   2HG1  VAL  36          3HG1      VAL  36   2.177  10.531   4.526
  374   3HG1  VAL  36          1HG1      VAL  36   3.394   9.506   5.284
  375   1HG2  VAL  36          3HG2      VAL  36   0.651   8.585   4.287
  376   2HG2  VAL  36          1HG2      VAL  36   1.204   7.111   3.502
  377   3HG2  VAL  36          2HG2      VAL  36   1.852   7.565   5.074
  378    QG1  VAL  36           QG1      VAL  36   3.128  10.171   4.560
  379    QG2  VAL  36           QG2      VAL  36   1.236   7.754   4.288
  380    QQG  VAL  36           QQG      VAL  36   2.182   8.962   4.424
  381    H    ASP  37           HN       ASP  37   3.348  11.427   1.556
  382    HA   ASP  37           HA       ASP  37   4.961  10.130  -0.609
  383   1HB   ASP  37          2HB       ASP  37   3.361  12.112  -1.102
  384   2HB   ASP  37          3HB       ASP  37   4.563  13.083  -0.263
  385    QB   ASP  37           QB       ASP  37   3.962  12.598  -0.683
  386    H    ILE  38           HN       ILE  38   7.122  10.689  -0.821
  387    HA   ILE  38           HA       ILE  38   8.357  11.175   1.779
  388    HB   ILE  38           HB       ILE  38  10.472  10.591   0.624
  389   1HG1  ILE  38          2HG1      ILE  38   8.760  10.604  -1.897
  390   2HG1  ILE  38          3HG1      ILE  38  10.013  11.776  -1.513
  391   1HG2  ILE  38          1HG2      ILE  38   8.870   8.799   1.341
  392   2HG2  ILE  38          2HG2      ILE  38   8.154   8.825  -0.268
  393   3HG2  ILE  38          3HG2      ILE  38   9.825   8.314  -0.051
  394   1HD1  ILE  38          2HD1      ILE  38  11.696   9.934  -1.467
  395   2HD1  ILE  38          3HD1      ILE  38  10.436   8.794  -1.934
  396   3HD1  ILE  38          1HD1      ILE  38  10.911  10.077  -3.036
  397    QG1  ILE  38           QG1      ILE  38   9.386  11.190  -1.705
  398    QG2  ILE  38           QG2      ILE  38   8.950   8.646   0.341
  399    QD1  ILE  38           QD1      ILE  38  11.014   9.602  -2.146
  400    NH1  ARG  39           NH1      ARG  39   8.137  19.188   0.209
  401    NH2  ARG  39           NH2      ARG  39   8.136  20.257  -1.806
  402    H    ARG  39           HN       ARG  39   7.972  13.048  -1.157
  403    HA   ARG  39           HA       ARG  39   9.772  15.091   0.090
  404   1HB   ARG  39          2HB       ARG  39  10.085  14.440  -2.395
  405   2HB   ARG  39          3HB       ARG  39   8.597  15.327  -2.693
  406   1HG   ARG  39          2HG       ARG  39  10.524  16.795  -0.994
  407   2HG   ARG  39          3HG       ARG  39  11.148  16.434  -2.591
  408   1HD   ARG  39          2HD       ARG  39  10.059  18.600  -2.669
  409   2HD   ARG  39          3HD       ARG  39   9.072  17.467  -3.582
  410    HE   ARG  39           HE       ARG  39   7.523  17.385  -1.622
  411   1HH1  ARG  39          2HH1      ARG  39   8.148  18.314   0.712
  412   2HH1  ARG  39          1HH1      ARG  39   8.085  20.048   0.713
  413   1HH2  ARG  39          2HH2      ARG  39   8.166  20.187  -2.801
  414   2HH2  ARG  39          1HH2      ARG  39   8.071  21.156  -1.374
  415    QB   ARG  39           QB       ARG  39   9.341  14.884  -2.544
  416    QG   ARG  39           QG       ARG  39  10.836  16.615  -1.793
  417    QD   ARG  39           QD       ARG  39   9.565  18.034  -3.126
  418    QH1  ARG  39           QH1      ARG  39   8.116  19.181   0.712
  419    QH2  ARG  39           QH2      ARG  39   8.118  20.672  -2.088
  420    H    ALA  40           HN       ALA  40   6.689  14.864  -1.645
  421    HA   ALA  40           HA       ALA  40   5.612  17.372  -1.226
  422   1HB   ALA  40          1HB       ALA  40   4.408  15.582  -2.429
  423   2HB   ALA  40          2HB       ALA  40   4.098  14.768  -0.905
  424   3HB   ALA  40          3HB       ALA  40   3.383  16.338  -1.213
  425    QB   ALA  40           QB       ALA  40   3.963  15.563  -1.516
  426    H    GLU  41           HN       GLU  41   5.811  14.762   1.207
  427    HA   GLU  41           HA       GLU  41   4.622  16.724   3.129
  428   1HB   GLU  41          2HB       GLU  41   4.876  13.720   3.148
  429   2HB   GLU  41          3HB       GLU  41   4.572  14.610   4.640
  430   1HG   GLU  41          2HG       GLU  41   2.541  15.577   3.756
  431   2HG   GLU  41          3HG       GLU  41   2.902  15.010   2.127
  432    QB   GLU  41           QB       GLU  41   4.724  14.165   3.894
  433    QG   GLU  41           QG       GLU  41   2.721  15.294   2.941
  434    H    GLY  42           HN       GLY  42   7.543  14.783   2.600
  435   1HA   GLY  42          1HA       GLY  42   9.664  15.868   3.293
  436   2HA   GLY  42          2HA       GLY  42   8.818  16.531   4.677
  437    QA   GLY  42           QA       GLY  42   9.241  16.200   3.985
  438    H    ILE  43           HN       ILE  43   9.721  13.419   3.268
  439    HA   ILE  43           HA       ILE  43  10.153  12.385   6.049
  440    HB   ILE  43           HB       ILE  43   9.783  10.689   3.557
  441   1HG1  ILE  43          2HG1      ILE  43   7.768  12.155   3.847
  442   2HG1  ILE  43          3HG1      ILE  43   7.420  10.452   4.045
  443   1HG2  ILE  43          3HG2      ILE  43   9.454  10.147   6.538
  444   2HG2  ILE  43          1HG2      ILE  43   9.124   8.978   5.267
  445   3HG2  ILE  43          2HG2      ILE  43  10.762   9.569   5.514
  446   1HD1  ILE  43          3HD1      ILE  43   7.881  12.410   6.322
  447   2HD1  ILE  43          1HD1      ILE  43   6.315  11.811   5.789
  448   3HD1  ILE  43          2HD1      ILE  43   7.477  10.705   6.503
  449    QG1  ILE  43           QG1      ILE  43   7.594  11.304   3.946
  450    QG2  ILE  43           QG2      ILE  43   9.780   9.565   5.773
  451    QD1  ILE  43           QD1      ILE  43   7.224  11.642   6.205
  452    H    THR  44           HN       THR  44  12.151  11.043   6.269
  453    HA   THR  44           HA       THR  44  14.191  11.906   4.248
  454    HB   THR  44           HB       THR  44  15.874  11.528   6.029
  455    HG1  THR  44          1HG       THR  44  14.033   9.863   6.833
  456   1HG2  THR  44          1HG2      THR  44  13.418  12.907   7.229
  457   2HG2  THR  44          2HG2      THR  44  15.080  13.102   7.771
  458   3HG2  THR  44          3HG2      THR  44  14.591  13.715   6.193
  459    QG2  THR  44           QG2      THR  44  14.363  13.241   7.064
  460    H    LYS  45           HN       LYS  45  15.346  10.437   3.124
  461    HA   LYS  45           HA       LYS  45  14.423   7.763   2.814
  462   1HB   LYS  45          2HB       LYS  45  15.992   9.169   1.282
  463   2HB   LYS  45          3HB       LYS  45  17.304   8.649   2.331
  464   1HG   LYS  45          2HG       LYS  45  15.412   6.579   1.233
  465   2HG   LYS  45          3HG       LYS  45  16.632   7.251   0.167
  466   1HD   LYS  45          2HD       LYS  45  17.713   6.489   2.809
  467   2HD   LYS  45          3HD       LYS  45  17.029   5.129   1.928
  468   1HE   LYS  45          2HE       LYS  45  19.126   7.070   0.896
  469   2HE   LYS  45          3HE       LYS  45  19.391   5.386   1.334
  470   1HZ   LYS  45          2HZ       LYS  45  17.282   5.420  -0.488
  471   2HZ   LYS  45          3HZ       LYS  45  18.503   6.434  -1.122
  472   3HZ   LYS  45          1HZ       LYS  45  18.845   4.823  -0.721
  473    QB   LYS  45           QB       LYS  45  16.648   8.909   1.806
  474    QG   LYS  45           QG       LYS  45  16.022   6.915   0.700
  475    QD   LYS  45           QD       LYS  45  17.371   5.809   2.368
  476    QE   LYS  45           QE       LYS  45  19.258   6.228   1.115
  477    QZ   LYS  45           QZ       LYS  45  18.210   5.559  -0.777
  478    H    GLU  46           HN       GLU  46  16.719   9.210   4.992
  479    HA   GLU  46           HA       GLU  46  17.945   6.867   6.036
  480   1HB   GLU  46          2HB       GLU  46  17.264   9.528   7.350
  481   2HB   GLU  46          3HB       GLU  46  18.281   8.308   8.103
  482   1HG   GLU  46          2HG       GLU  46  19.624  10.066   6.935
  483   2HG   GLU  46          3HG       GLU  46  19.903   8.466   6.260
  484    QB   GLU  46           QB       GLU  46  17.772   8.918   7.726
  485    QG   GLU  46           QG       GLU  46  19.763   9.266   6.597
  486    H    ASP  47           HN       ASP  47  15.302   8.726   7.579
  487    HA   ASP  47           HA       ASP  47  14.500   6.888   9.526
  488   1HB   ASP  47          2HB       ASP  47  13.497   9.136   9.386
  489   2HB   ASP  47          3HB       ASP  47  12.787   8.754   7.832
  490    QB   ASP  47           QB       ASP  47  13.142   8.945   8.609
  491    H    LEU  48           HN       LEU  48  13.280   7.144   6.243
  492    HA   LEU  48           HA       LEU  48  11.494   4.916   6.398
  493   1HB   LEU  48          2HB       LEU  48  12.942   6.362   4.149
  494   2HB   LEU  48          3HB       LEU  48  11.900   5.004   3.783
  495    HG   LEU  48           HG       LEU  48  11.029   7.419   5.414
  496   1HD1  LEU  48          3HD1      LEU  48  11.595   8.077   3.094
  497   2HD1  LEU  48          1HD1      LEU  48  10.557   6.797   2.476
  498   3HD1  LEU  48          2HD1      LEU  48   9.857   8.147   3.356
  499   1HD2  LEU  48          3HD2      LEU  48   9.457   5.169   4.097
  500   2HD2  LEU  48          1HD2      LEU  48   9.664   5.412   5.828
  501   3HD2  LEU  48          2HD2      LEU  48   8.740   6.569   4.883
  502    QB   LEU  48           QB       LEU  48  12.421   5.683   3.966
  503    QD1  LEU  48           QD1      LEU  48  10.670   7.674   2.975
  504    QD2  LEU  48           QD2      LEU  48   9.287   5.717   4.936
  505    QQD  LEU  48           QQD      LEU  48   9.978   6.695   3.956
  506    H    GLN  49           HN       GLN  49  14.751   5.121   5.040
  507    HA   GLN  49           HA       GLN  49  15.250   2.498   4.325
  508   1HB   GLN  49          2HB       GLN  49  16.800   4.440   4.067
  509   2HB   GLN  49          3HB       GLN  49  17.113   4.421   5.790
  510   1HG   GLN  49          2HG       GLN  49  18.327   2.388   5.653
  511   2HG   GLN  49          3HG       GLN  49  17.651   1.998   4.071
  512   1HE2  GLN  49          2HE2      GLN  49  20.825   4.550   4.303
  513   2HE2  GLN  49          1HE2      GLN  49  20.066   4.014   5.721
  514    QB   GLN  49           QB       GLN  49  16.956   4.431   4.928
  515    QG   GLN  49           QG       GLN  49  17.989   2.193   4.862
  516    QE2  GLN  49           QE2      GLN  49  20.445   4.282   5.012
  517    H    GLN  50           HN       GLN  50  15.550   4.009   7.459
  518    HA   GLN  50           HA       GLN  50  16.294   1.772   9.012
  519   1HB   GLN  50          2HB       GLN  50  16.331   4.171   9.753
  520   2HB   GLN  50          3HB       GLN  50  14.587   4.178   9.764
  521   1HG   GLN  50          2HG       GLN  50  16.086   2.165  11.421
  522   2HG   GLN  50          3HG       GLN  50  15.781   3.794  12.012
  523   1HE2  GLN  50          2HE2      GLN  50  12.880   1.155  12.451
  524   2HE2  GLN  50          1HE2      GLN  50  14.526   0.781  12.276
  525    QB   GLN  50           QB       GLN  50  15.459   4.175   9.758
  526    QG   GLN  50           QG       GLN  50  15.933   2.980  11.716
  527    QE2  GLN  50           QE2      GLN  50  13.703   0.968  12.363
  528    H    LYS  51           HN       LYS  51  13.037   3.167   8.685
  529    HA   LYS  51           HA       LYS  51  11.749   0.981  10.040
  530   1HB   LYS  51          2HB       LYS  51  10.978   3.493   8.775
  531   2HB   LYS  51          3HB       LYS  51   9.774   2.239   8.517
  532   1HG   LYS  51          2HG       LYS  51   9.623   1.779  10.873
  533   2HG   LYS  51          3HG       LYS  51  10.989   2.806  11.234
  534   1HD   LYS  51          2HD       LYS  51   8.262   3.664  10.222
  535   2HD   LYS  51          3HD       LYS  51   8.944   3.996  11.806
  536   1HE   LYS  51          2HE       LYS  51   9.681   5.183   9.144
  537   2HE   LYS  51          3HE       LYS  51   9.282   6.008  10.638
  538   1HZ   LYS  51          3HZ       LYS  51  11.599   4.435  11.087
  539   2HZ   LYS  51          1HZ       LYS  51  11.788   5.332   9.661
  540   3HZ   LYS  51          2HZ       LYS  51  11.419   6.137  11.093
  541    QB   LYS  51           QB       LYS  51  10.376   2.866   8.646
  542    QG   LYS  51           QG       LYS  51  10.306   2.293  11.053
  543    QD   LYS  51           QD       LYS  51   8.603   3.830  11.014
  544    QE   LYS  51           QE       LYS  51   9.481   5.596   9.891
  545    QZ   LYS  51           QZ       LYS  51  11.602   5.301  10.614
  546    H    ALA  52           HN       ALA  52  12.662   1.269   6.753
  547    HA   ALA  52           HA       ALA  52  10.662  -0.706   5.872
  548   1HB   ALA  52          1HB       ALA  52  11.291   1.182   4.402
  549   2HB   ALA  52          2HB       ALA  52  12.959   0.624   4.394
  550   3HB   ALA  52          3HB       ALA  52  11.699  -0.354   3.649
  551    QB   ALA  52           QB       ALA  52  11.983   0.484   4.148
  552    H    GLY  53           HN       GLY  53  14.136  -0.544   6.451
  553   1HA   GLY  53          1HA       GLY  53  15.219  -2.624   7.310
  554   2HA   GLY  53          2HA       GLY  53  14.192  -3.538   6.203
  555    QA   GLY  53           QA       GLY  53  14.705  -3.081   6.756
  556    H    LYS  54           HN       LYS  54  16.259  -0.693   5.980
  557    HA   LYS  54           HA       LYS  54  17.660   0.022   4.264
  558   1HB   LYS  54          2HB       LYS  54  19.660  -1.498   3.950
  559   2HB   LYS  54          3HB       LYS  54  19.301  -1.047   5.598
  560   1HG   LYS  54          2HG       LYS  54  19.445  -3.237   6.094
  561   2HG   LYS  54          3HG       LYS  54  17.899  -3.436   5.322
  562   1HD   LYS  54          2HD       LYS  54  19.579  -3.494   3.139
  563   2HD   LYS  54          3HD       LYS  54  20.599  -4.203   4.383
  564   1HE   LYS  54          2HE       LYS  54  19.351  -5.998   3.321
  565   2HE   LYS  54          3HE       LYS  54  18.719  -5.781   4.951
  566   1HZ   LYS  54          3HZ       LYS  54  17.335  -4.055   3.210
  567   2HZ   LYS  54          1HZ       LYS  54  17.323  -5.614   2.533
  568   3HZ   LYS  54          2HZ       LYS  54  16.720  -5.347   4.103
  569    QB   LYS  54           QB       LYS  54  19.480  -1.272   4.774
  570    QG   LYS  54           QG       LYS  54  18.672  -3.336   5.708
  571    QD   LYS  54           QD       LYS  54  20.089  -3.848   3.761
  572    QE   LYS  54           QE       LYS  54  19.035  -5.889   4.136
  573    QZ   LYS  54           QZ       LYS  54  17.126  -5.005   3.282
  574    HA   PRO  55           HA       PRO  55  16.120  -1.979   0.507
  575   1HB   PRO  55          2HB       PRO  55  14.407   0.290  -0.020
  576   2HB   PRO  55          3HB       PRO  55  13.915  -1.366   0.334
  577   1HG   PRO  55          2HG       PRO  55  13.479   0.813   2.042
  578   2HG   PRO  55          3HG       PRO  55  13.459  -0.879   2.542
  579   1HD   PRO  55          2HD       PRO  55  15.665   1.147   2.831
  580   2HD   PRO  55          3HD       PRO  55  15.176  -0.153   3.939
  581    QB   PRO  55           QB       PRO  55  14.161  -0.538   0.157
  582    QG   PRO  55           QG       PRO  55  13.469  -0.033   2.292
  583    QD   PRO  55           QD       PRO  55  15.420   0.497   3.385
  584    H    VAL  56           HN       VAL  56  18.300  -0.319   1.273
  585    HA   VAL  56           HA       VAL  56  19.795   1.321   0.494
  586    HB   VAL  56           HB       VAL  56  19.344  -0.331  -1.943
  587   1HG1  VAL  56          2HG1      VAL  56  21.791   1.120  -0.898
  588   2HG1  VAL  56          3HG1      VAL  56  21.770   0.075  -2.314
  589   3HG1  VAL  56          1HG1      VAL  56  20.863   1.580  -2.320
  590   1HG2  VAL  56          1HG2      VAL  56  21.048  -0.874   0.497
  591   2HG2  VAL  56          2HG2      VAL  56  19.599  -1.766   0.045
  592   3HG2  VAL  56          3HG2      VAL  56  21.038  -1.857  -0.962
  593    QG1  VAL  56           QG1      VAL  56  21.475   0.925  -1.844
  594    QG2  VAL  56           QG2      VAL  56  20.562  -1.499  -0.140
  595    QQG  VAL  56           QQG      VAL  56  21.018  -0.287  -0.992
  596    H    GLU  57           HN       GLU  57  18.761   1.159  -2.772
  597    HA   GLU  57           HA       GLU  57  17.666   3.941  -2.589
  598   1HB   GLU  57          2HB       GLU  57  20.112   3.361  -3.597
  599   2HB   GLU  57          3HB       GLU  57  19.158   3.043  -5.037
  600   1HG   GLU  57          2HG       GLU  57  19.943   5.390  -4.995
  601   2HG   GLU  57          3HG       GLU  57  18.188   5.319  -4.896
  602    QB   GLU  57           QB       GLU  57  19.635   3.202  -4.317
  603    QG   GLU  57           QG       GLU  57  19.065   5.355  -4.946
  604    H    THR  58           HN       THR  58  15.999   1.703  -2.543
  605    HA   THR  58           HA       THR  58  14.901   1.735  -5.330
  606    HB   THR  58           HB       THR  58  13.977  -0.542  -4.805
  607    HG1  THR  58          1HG       THR  58  15.297   0.102  -2.366
  608   1HG2  THR  58          1HG2      THR  58  16.926  -0.240  -4.047
  609   2HG2  THR  58          2HG2      THR  58  16.151  -1.721  -4.600
  610   3HG2  THR  58          3HG2      THR  58  16.340  -0.362  -5.703
  611    QG2  THR  58           QG2      THR  58  16.472  -0.774  -4.783
  612    H    VAL  59           HN       VAL  59  13.010   2.655  -5.669
  613    HA   VAL  59           HA       VAL  59  10.928   2.661  -3.525
  614    HB   VAL  59           HB       VAL  59  10.308   4.997  -4.192
  615   1HG1  VAL  59          3HG1      VAL  59  11.840   4.653  -2.282
  616   2HG1  VAL  59          1HG1      VAL  59  13.216   4.724  -3.376
  617   3HG1  VAL  59          2HG1      VAL  59  12.209   6.146  -3.135
  618   1HG2  VAL  59          3HG2      VAL  59  12.817   4.883  -5.886
  619   2HG2  VAL  59          1HG2      VAL  59  11.167   4.972  -6.495
  620   3HG2  VAL  59          2HG2      VAL  59  11.847   6.320  -5.591
  621    QG1  VAL  59           QG1      VAL  59  12.422   5.174  -2.931
  622    QG2  VAL  59           QG2      VAL  59  11.944   5.392  -5.991
  623    QQG  VAL  59           QQG      VAL  59  12.183   5.283  -4.461
  624    HA   PRO  60           HA       PRO  60   8.848   3.914  -3.687
  625   1HB   PRO  60          2HB       PRO  60   6.208   3.212  -3.911
  626   2HB   PRO  60          3HB       PRO  60   6.912   4.575  -4.788
  627   1HG   PRO  60          2HG       PRO  60   6.204   1.836  -5.798
  628   2HG   PRO  60          3HG       PRO  60   6.144   3.386  -6.643
  629   1HD   PRO  60          2HD       PRO  60   8.190   1.476  -6.912
  630   2HD   PRO  60          3HD       PRO  60   8.334   3.183  -7.373
  631    QB   PRO  60           QB       PRO  60   6.560   3.894  -4.350
  632    QG   PRO  60           QG       PRO  60   6.174   2.611  -6.221
  633    QD   PRO  60           QD       PRO  60   8.262   2.330  -7.143
  634    H    GLN  61           HN       GLN  61   7.587   3.054  -1.730
  635    HA   GLN  61           HA       GLN  61   7.920   0.088  -1.512
  636   1HB   GLN  61          2HB       GLN  61   8.883   2.254   0.353
  637   2HB   GLN  61          3HB       GLN  61   8.571   0.627   0.947
  638   1HG   GLN  61          2HG       GLN  61  10.202  -0.333  -0.525
  639   2HG   GLN  61          3HG       GLN  61  10.347   1.161  -1.451
  640   1HE2  GLN  61          2HE2      GLN  61  13.105   1.923   0.595
  641   2HE2  GLN  61          1HE2      GLN  61  12.553   1.603  -0.972
  642    QB   GLN  61           QB       GLN  61   8.727   1.441   0.650
  643    QG   GLN  61           QG       GLN  61  10.274   0.414  -0.988
  644    QE2  GLN  61           QE2      GLN  61  12.829   1.763  -0.189
  645    H    ILE  62           HN       ILE  62   6.533  -0.965  -0.139
  646    HA   ILE  62           HA       ILE  62   4.145   0.613   0.774
  647    HB   ILE  62           HB       ILE  62   4.192  -2.304  -0.089
  648   1HG1  ILE  62          2HG1      ILE  62   4.737  -0.929  -2.029
  649   2HG1  ILE  62          3HG1      ILE  62   3.082  -1.494  -2.181
  650   1HG2  ILE  62          1HG2      ILE  62   1.908  -0.360   0.430
  651   2HG2  ILE  62          2HG2      ILE  62   1.711  -1.998  -0.187
  652   3HG2  ILE  62          3HG2      ILE  62   2.344  -1.733   1.436
  653   1HD1  ILE  62          3HD1      ILE  62   3.905   1.246  -1.163
  654   2HD1  ILE  62          1HD1      ILE  62   3.246   0.904  -2.747
  655   3HD1  ILE  62          2HD1      ILE  62   2.255   0.671  -1.314
  656    QG1  ILE  62           QG1      ILE  62   3.909  -1.211  -2.105
  657    QG2  ILE  62           QG2      ILE  62   1.988  -1.364   0.560
  658    QD1  ILE  62           QD1      ILE  62   3.135   0.940  -1.741
  659    H    PHE  63           HN       PHE  63   3.332   0.229   2.717
  660    HA   PHE  63           HA       PHE  63   4.783  -1.667   4.526
  661   1HB   PHE  63          2HB       PHE  63   3.843   1.167   4.947
  662   2HB   PHE  63          3HB       PHE  63   3.901   0.071   6.319
  663    HD1  PHE  63           HD2      PHE  63   5.986   1.607   3.633
  664    HD2  PHE  63           HD1      PHE  63   5.952  -0.505   7.334
  665    HE1  PHE  63           HE2      PHE  63   8.388   2.058   3.922
  666    HE2  PHE  63           HE1      PHE  63   8.344  -0.028   7.630
  667    HZ   PHE  63           HZ       PHE  63   9.554   1.262   5.920
  668    QB   PHE  63           QB       PHE  63   3.872   0.619   5.633
  669    QR   PHE  63           QR       PHE  63   7.167   0.783   5.630
  670    H    VAL  64           HN       VAL  64   3.516  -2.628   6.122
  671    HA   VAL  64           HA       VAL  64   0.558  -2.447   5.817
  672    HB   VAL  64           HB       VAL  64   2.253  -4.959   6.155
  673   1HG1  VAL  64          3HG1      VAL  64  -0.770  -4.631   5.964
  674   2HG1  VAL  64          1HG1      VAL  64   0.089  -6.168   6.016
  675   3HG1  VAL  64          2HG1      VAL  64   0.117  -5.098   7.412
  676   1HG2  VAL  64          3HG2      VAL  64   0.488  -3.987   3.874
  677   2HG2  VAL  64          1HG2      VAL  64   2.245  -4.044   3.852
  678   3HG2  VAL  64          2HG2      VAL  64   1.317  -5.538   3.918
  679    QG1  VAL  64           QG1      VAL  64  -0.188  -5.299   6.464
  680    QG2  VAL  64           QG2      VAL  64   1.350  -4.523   3.881
  681    QQG  VAL  64           QQG      VAL  64   0.581  -4.911   5.173
  682    H    ASP  65           HN       ASP  65   0.141  -1.342   7.639
  683    HA   ASP  65           HA       ASP  65   0.043  -0.753   9.874
  684   1HB   ASP  65          2HB       ASP  65   0.396  -3.755  10.105
  685   2HB   ASP  65          3HB       ASP  65  -0.190  -2.716  11.397
  686    QB   ASP  65           QB       ASP  65   0.103  -3.235  10.751
  687    H    GLN  66           HN       GLN  66   2.203  -3.397  10.315
  688    HA   GLN  66           HA       GLN  66   4.262  -1.564  11.434
  689   1HB   GLN  66          2HB       GLN  66   3.185  -2.821  13.222
  690   2HB   GLN  66          3HB       GLN  66   3.429  -4.334  12.366
  691   1HG   GLN  66          2HG       GLN  66   5.903  -2.752  12.912
  692   2HG   GLN  66          3HG       GLN  66   5.099  -3.432  14.320
  693   1HE2  GLN  66          2HE2      GLN  66   7.109  -5.888  11.812
  694   2HE2  GLN  66          1HE2      GLN  66   7.038  -4.212  11.535
  695    QB   GLN  66           QB       GLN  66   3.307  -3.577  12.794
  696    QG   GLN  66           QG       GLN  66   5.501  -3.092  13.616
  697    QE2  GLN  66           QE2      GLN  66   7.073  -5.050  11.673
  698    H    GLN  67           HN       GLN  67   3.721  -4.237   9.240
  699    HA   GLN  67           HA       GLN  67   6.632  -4.792   9.125
  700   1HB   GLN  67          2HB       GLN  67   4.188  -6.188   7.986
  701   2HB   GLN  67          3HB       GLN  67   5.819  -6.651   7.573
  702   1HG   GLN  67          2HG       GLN  67   6.331  -7.106   9.948
  703   2HG   GLN  67          3HG       GLN  67   4.718  -6.583  10.405
  704   1HE2  GLN  67          2HE2      GLN  67   4.088  -9.822   8.125
  705   2HE2  GLN  67          1HE2      GLN  67   4.463  -8.299   7.476
  706    QB   GLN  67           QB       GLN  67   5.003  -6.419   7.779
  707    QG   GLN  67           QG       GLN  67   5.524  -6.844  10.176
  708    QE2  GLN  67           QE2      GLN  67   4.275  -9.060   7.800
  709    H    HIS  68           HN       HIS  68   7.740  -4.780   7.130
  710    HA   HIS  68           HA       HIS  68   6.684  -2.812   5.144
  711   1HB   HIS  68          2HB       HIS  68   8.864  -2.254   6.094
  712   2HB   HIS  68          3HB       HIS  68   9.470  -3.853   5.761
  713    HD1  HIS  68           HD1      HIS  68  11.240  -3.320   4.175
  714    HD2  HIS  68           HD2      HIS  68   7.762  -1.431   3.037
  715    HE1  HIS  68           HE1      HIS  68  11.605  -2.500   1.814
  716    QB   HIS  68           QB       HIS  68   9.167  -3.053   5.927
  717    H    ILE  69           HN       ILE  69   6.401  -3.538   2.987
  718    HA   ILE  69           HA       ILE  69   6.665  -6.510   2.709
  719    HB   ILE  69           HB       ILE  69   5.042  -4.607   0.982
  720   1HG1  ILE  69          2HG1      ILE  69   4.192  -4.521   3.279
  721   2HG1  ILE  69          3HG1      ILE  69   3.071  -5.408   2.260
  722   1HG2  ILE  69          2HG2      ILE  69   4.989  -7.634   1.311
  723   2HG2  ILE  69          3HG2      ILE  69   3.877  -6.701   0.316
  724   3HG2  ILE  69          1HG2      ILE  69   5.588  -6.750  -0.087
  725   1HD1  ILE  69          1HD1      ILE  69   5.122  -6.665   4.132
  726   2HD1  ILE  69          2HD1      ILE  69   3.392  -6.560   4.423
  727   3HD1  ILE  69          3HD1      ILE  69   3.998  -7.554   3.110
  728    QG1  ILE  69           QG1      ILE  69   3.631  -4.964   2.769
  729    QG2  ILE  69           QG2      ILE  69   4.818  -7.028   0.513
  730    QD1  ILE  69           QD1      ILE  69   4.171  -6.926   3.888
  731    H    GLY  70           HN       GLY  70   7.346  -3.505   1.031
  732   1HA   GLY  70          1HA       GLY  70   9.715  -3.659  -0.031
  733   2HA   GLY  70          2HA       GLY  70   9.047  -5.047  -0.891
  734    QA   GLY  70           QA       GLY  70   9.381  -4.353  -0.461
  735    H    GLY  71           HN       GLY  71   8.659  -4.454  -2.954
  736   1HA   GLY  71          1HA       GLY  71   7.696  -1.670  -3.464
  737   2HA   GLY  71          2HA       GLY  71   8.487  -2.699  -4.655
  738    QA   GLY  71           QA       GLY  71   8.091  -2.184  -4.060
  739    OH   TYR  72           OH       TYR  72  -1.027  -3.744  -8.611
  740    H    TYR  72           HN       TYR  72   6.316  -1.660  -5.597
  741    HA   TYR  72           HA       TYR  72   3.791  -2.641  -5.031
  742   1HB   TYR  72          2HB       TYR  72   4.221  -1.032  -6.867
  743   2HB   TYR  72          3HB       TYR  72   4.905  -2.332  -7.842
  744    HD1  TYR  72           HD2      TYR  72   1.853  -1.763  -5.738
  745    HD2  TYR  72           HD1      TYR  72   3.403  -3.293  -9.389
  746    HE1  TYR  72           HE2      TYR  72  -0.383  -2.562  -6.347
  747    HE2  TYR  72           HE1      TYR  72   1.159  -4.040 -10.027
  748    HH   TYR  72           HH       TYR  72  -1.485  -4.067  -7.821
  749    QB   TYR  72           QB       TYR  72   4.563  -1.682  -7.355
  750    QR   TYR  72           QR       TYR  72   1.508  -2.914  -7.875
  751    H    THR  73           HN       THR  73   6.382  -4.427  -6.649
  752    HA   THR  73           HA       THR  73   4.829  -6.645  -7.540
  753    HB   THR  73           HB       THR  73   7.190  -7.847  -7.148
  754    HG1  THR  73          1HG       THR  73   8.330  -6.507  -5.896
  755   1HG2  THR  73          3HG2      THR  73   6.999  -5.316  -8.854
  756   2HG2  THR  73          1HG2      THR  73   8.124  -6.646  -9.108
  757   3HG2  THR  73          2HG2      THR  73   6.398  -6.888  -9.367
  758    QG2  THR  73           QG2      THR  73   7.174  -6.283  -9.110
  759    H    ASP  74           HN       ASP  74   6.865  -6.412  -4.669
  760    HA   ASP  74           HA       ASP  74   5.989  -8.753  -3.364
  761   1HB   ASP  74          2HB       ASP  74   6.751  -6.154  -1.988
  762   2HB   ASP  74          3HB       ASP  74   6.983  -7.797  -1.385
  763    QB   ASP  74           QB       ASP  74   6.867  -6.975  -1.687
  764    H    PHE  75           HN       PHE  75   4.673  -5.481  -3.296
  765    HA   PHE  75           HA       PHE  75   2.628  -5.955  -1.378
  766   1HB   PHE  75          2HB       PHE  75   3.246  -3.697  -2.249
  767   2HB   PHE  75          3HB       PHE  75   2.516  -4.106  -3.795
  768    HD1  PHE  75           HD2      PHE  75   0.699  -5.485  -0.964
  769    HD2  PHE  75           HD1      PHE  75   1.187  -1.968  -3.315
  770    HE1  PHE  75           HE2      PHE  75  -1.454  -4.663  -0.172
  771    HE2  PHE  75           HE1      PHE  75  -0.998  -1.174  -2.548
  772    HZ   PHE  75           HZ       PHE  75  -2.323  -2.513  -0.971
  773    QB   PHE  75           QB       PHE  75   2.881  -3.901  -3.022
  774    QR   PHE  75           QR       PHE  75  -0.142  -3.322  -1.750
  775    H    ALA  76           HN       ALA  76   2.345  -6.045  -4.944
  776    HA   ALA  76           HA       ALA  76  -0.311  -7.000  -5.079
  777   1HB   ALA  76          2HB       ALA  76   2.003  -7.638  -6.944
  778   2HB   ALA  76          3HB       ALA  76   0.297  -7.851  -7.333
  779   3HB   ALA  76          1HB       ALA  76   0.945  -6.237  -7.064
  780    QB   ALA  76           QB       ALA  76   1.082  -7.242  -7.114
  781    H    ALA  77           HN       ALA  77   2.717  -8.863  -5.066
  782    HA   ALA  77           HA       ALA  77   1.519 -11.453  -5.089
  783   1HB   ALA  77          1HB       ALA  77   3.941 -11.082  -5.476
  784   2HB   ALA  77          2HB       ALA  77   4.139 -10.595  -3.798
  785   3HB   ALA  77          3HB       ALA  77   3.682 -12.254  -4.187
  786    QB   ALA  77           QB       ALA  77   3.921 -11.310  -4.487
  787    CH2  TRP  78           CH2      TRP  78  -1.412  -7.072   3.545
  788    H    TRP  78           HN       TRP  78   2.719  -9.525  -2.347
  789    HA   TRP  78           HA       TRP  78   1.988 -11.216  -0.227
  790   1HB   TRP  78          2HB       TRP  78   3.185  -9.105   0.119
  791   2HB   TRP  78          3HB       TRP  78   1.791  -8.205  -0.391
  792    HD1  TRP  78           HD1      TRP  78   2.930 -10.400   2.627
  793    HE1  TRP  78           HE1      TRP  78   1.548  -9.794   4.631
  794    HE3  TRP  78           HE3      TRP  78  -0.179  -7.256   0.383
  795    HZ2  TRP  78           HZ2      TRP  78  -0.681  -8.160   5.232
  796    HZ3  TRP  78           HZ3      TRP  78  -1.942  -6.115   1.710
  797    HH2  TRP  78           HH2      TRP  78  -2.189  -6.575   4.109
  798    QB   TRP  78           QB       TRP  78   2.488  -8.655  -0.136
  799    H    VAL  79           HN       VAL  79   0.073  -8.682  -1.744
  800    HA   VAL  79           HA       VAL  79  -2.356  -9.052  -0.402
  801    HB   VAL  79           HB       VAL  79  -1.715  -8.212  -3.248
  802   1HG1  VAL  79          1HG1      VAL  79  -4.454  -8.201  -1.928
  803   2HG1  VAL  79          2HG1      VAL  79  -4.066  -7.490  -3.484
  804   3HG1  VAL  79          3HG1      VAL  79  -3.990  -9.230  -3.276
  805   1HG2  VAL  79          3HG2      VAL  79  -2.725  -6.759  -0.780
  806   2HG2  VAL  79          1HG2      VAL  79  -1.103  -6.675  -1.446
  807   3HG2  VAL  79          2HG2      VAL  79  -2.454  -6.003  -2.343
  808    QG1  VAL  79           QG1      VAL  79  -4.170  -8.307  -2.896
  809    QG2  VAL  79           QG2      VAL  79  -2.094  -6.479  -1.523
  810    QQG  VAL  79           QQG      VAL  79  -3.132  -7.393  -2.210
  811    H    LYS  80           HN       LYS  80  -1.482 -10.435  -3.545
  812    HA   LYS  80           HA       LYS  80  -3.620 -12.112  -3.957
  813   1HB   LYS  80          2HB       LYS  80  -1.169 -11.728  -5.141
  814   2HB   LYS  80          3HB       LYS  80  -1.005 -13.372  -4.555
  815   1HG   LYS  80          2HG       LYS  80  -3.466 -12.516  -6.109
  816   2HG   LYS  80          3HG       LYS  80  -1.997 -12.990  -6.940
  817   1HD   LYS  80          2HD       LYS  80  -3.027 -15.049  -6.846
  818   2HD   LYS  80          3HD       LYS  80  -2.146 -15.100  -5.337
  819   1HE   LYS  80          2HE       LYS  80  -4.542 -13.847  -4.622
  820   2HE   LYS  80          3HE       LYS  80  -5.051 -15.020  -5.820
  821   1HZ   LYS  80          1HZ       LYS  80  -3.239 -16.274  -4.070
  822   2HZ   LYS  80          2HZ       LYS  80  -4.394 -15.435  -3.157
  823   3HZ   LYS  80          3HZ       LYS  80  -4.923 -16.591  -4.280
  824    QB   LYS  80           QB       LYS  80  -1.087 -12.550  -4.848
  825    QG   LYS  80           QG       LYS  80  -2.732 -12.753  -6.525
  826    QD   LYS  80           QD       LYS  80  -2.587 -15.074  -6.092
  827    QE   LYS  80           QE       LYS  80  -4.797 -14.433  -5.221
  828    QZ   LYS  80           QZ       LYS  80  -4.185 -16.100  -3.836
  829    H    GLU  81           HN       GLU  81  -0.700 -13.099  -2.116
  830    HA   GLU  81           HA       GLU  81  -2.137 -15.576  -1.340
  831   1HB   GLU  81          2HB       GLU  81   0.681 -14.564  -1.129
  832   2HB   GLU  81          3HB       GLU  81   0.179 -15.779   0.030
  833   1HG   GLU  81          2HG       GLU  81   1.240 -16.689  -2.095
  834   2HG   GLU  81          3HG       GLU  81  -0.333 -17.366  -1.705
  835    QB   GLU  81           QB       GLU  81   0.430 -15.171  -0.550
  836    QG   GLU  81           QG       GLU  81   0.453 -17.027  -1.900
  837    H    ASN  82           HN       ASN  82  -2.745 -12.752  -0.183
  838    HA   ASN  82           HA       ASN  82  -2.858 -13.745   2.642
  839   1HB   ASN  82          2HB       ASN  82  -2.005 -11.035   1.639
  840   2HB   ASN  82          3HB       ASN  82  -2.782 -11.173   3.210
  841   1HD2  ASN  82          2HD2      ASN  82   0.926 -12.810   2.662
  842   2HD2  ASN  82          1HD2      ASN  82  -0.019 -12.365   1.320
  843    QB   ASN  82           QB       ASN  82  -2.394 -11.104   2.424
  844    QD2  ASN  82           QD2      ASN  82   0.453 -12.587   1.991
  845    H    LEU  83           HN       LEU  83  -4.262 -11.593   0.233
  846    HA   LEU  83           HA       LEU  83  -6.799 -11.548   1.813
  847   1HB   LEU  83          2HB       LEU  83  -6.177  -9.913  -0.635
  848   2HB   LEU  83          3HB       LEU  83  -7.395  -9.588   0.590
  849    HG   LEU  83           HG       LEU  83  -4.375  -9.421   0.959
  850   1HD1  LEU  83          2HD1      LEU  83  -5.419  -7.543  -0.276
  851   2HD1  LEU  83          3HD1      LEU  83  -6.552  -7.303   1.041
  852   3HD1  LEU  83          1HD1      LEU  83  -4.835  -7.027   1.296
  853   1HD2  LEU  83          1HD2      LEU  83  -6.614  -8.912   2.958
  854   2HD2  LEU  83          2HD2      LEU  83  -5.462 -10.238   3.030
  855   3HD2  LEU  83          3HD2      LEU  83  -4.910  -8.580   3.238
  856    QB   LEU  83           QB       LEU  83  -6.786  -9.750  -0.023
  857    QD1  LEU  83           QD1      LEU  83  -5.602  -7.291   0.687
  858    QD2  LEU  83           QD2      LEU  83  -5.662  -9.243   3.075
  859    QQD  LEU  83           QQD      LEU  83  -5.632  -8.267   1.881
  860    H    ASP  84           HN       ASP  84  -5.964 -13.829   0.274
  861    HA   ASP  84           HA       ASP  84  -7.762 -13.815  -2.058
  862   1HB   ASP  84          2HB       ASP  84  -5.430 -15.148  -1.557
  863   2HB   ASP  84          3HB       ASP  84  -6.582 -16.380  -1.075
  864    QB   ASP  84           QB       ASP  84  -6.006 -15.764  -1.316
  865    H    ALA  85           HN       ALA  85  -9.129 -13.099  -0.067
  866    HA   ALA  85           HA       ALA  85 -11.482 -14.304   0.253
  867   1HB   ALA  85          2HB       ALA  85  -9.626 -15.552   2.325
  868   2HB   ALA  85          3HB       ALA  85 -11.381 -15.667   2.353
  869   3HB   ALA  85          1HB       ALA  85 -10.472 -16.424   1.052
  870    QB   ALA  85           QB       ALA  85 -10.493 -15.881   1.910
   
  Start of MODEL           2
 Raw file had 870 H/Q atoms
  Start of MODEL    2
    1    H    MET   1           HN       MET   1  -5.963  -5.299   6.592
    2    HA   MET   1           HA       MET   1  -6.491  -3.384   8.597
    3   1HB   MET   1          2HB       MET   1  -3.797  -4.384   7.579
    4   2HB   MET   1          3HB       MET   1  -4.078  -3.589   9.120
    5   1HG   MET   1          2HG       MET   1  -3.949  -5.992   9.436
    6   2HG   MET   1          3HG       MET   1  -5.541  -5.406   9.836
    7   1HE   MET   1          3HE       MET   1  -3.304  -7.501   7.621
    8   2HE   MET   1          1HE       MET   1  -4.334  -8.048   6.303
    9   3HE   MET   1          2HE       MET   1  -3.840  -6.359   6.385
   10    QB   MET   1           QB       MET   1  -3.937  -3.986   8.349
   11    QG   MET   1           QG       MET   1  -4.745  -5.699   9.636
   12    QE   MET   1           QE       MET   1  -3.826  -7.303   6.769
   13    H    GLN   2           HN       GLN   2  -4.199  -1.819   8.662
   14    HA   GLN   2           HA       GLN   2  -4.854   0.343   6.868
   15   1HB   GLN   2          2HB       GLN   2  -4.491   0.898   9.173
   16   2HB   GLN   2          3HB       GLN   2  -3.080  -0.141   9.280
   17   1HG   GLN   2          2HG       GLN   2  -2.227   1.613   7.377
   18   2HG   GLN   2          3HG       GLN   2  -3.323   2.623   8.297
   19   1HE2  GLN   2          2HE2      GLN   2   0.255   1.539   9.882
   20   2HE2  GLN   2          1HE2      GLN   2  -0.209   1.144   8.294
   21    QB   GLN   2           QB       GLN   2  -3.786   0.379   9.226
   22    QG   GLN   2           QG       GLN   2  -2.775   2.118   7.837
   23    QE2  GLN   2           QE2      GLN   2   0.023   1.342   9.088
   24    H    THR   3           HN       THR   3  -3.953   0.216   4.856
   25    HA   THR   3           HA       THR   3  -1.170  -0.862   4.588
   26    HB   THR   3           HB       THR   3  -3.278  -0.272   2.439
   27    HG1  THR   3          1HG       THR   3  -3.990  -2.132   3.142
   28   1HG2  THR   3          1HG2      THR   3  -0.868  -0.342   1.613
   29   2HG2  THR   3          2HG2      THR   3  -0.712  -1.935   2.339
   30   3HG2  THR   3          3HG2      THR   3  -1.834  -1.680   1.007
   31    QG2  THR   3           QG2      THR   3  -1.138  -1.319   1.653
   32    H    VAL   4           HN       VAL   4   0.489   0.602   4.326
   33    HA   VAL   4           HA       VAL   4  -0.272   3.358   3.410
   34    HB   VAL   4           HB       VAL   4   2.072   2.634   5.208
   35   1HG1  VAL   4          2HG1      VAL   4   0.881   5.303   4.340
   36   2HG1  VAL   4          3HG1      VAL   4   2.188   5.114   5.504
   37   3HG1  VAL   4          1HG1      VAL   4   2.436   4.653   3.824
   38   1HG2  VAL   4          3HG2      VAL   4  -0.094   2.344   6.386
   39   2HG2  VAL   4          1HG2      VAL   4   0.792   3.725   7.018
   40   3HG2  VAL   4          2HG2      VAL   4  -0.562   3.973   5.922
   41    QG1  VAL   4           QG1      VAL   4   1.835   5.023   4.556
   42    QG2  VAL   4           QG2      VAL   4   0.045   3.347   6.442
   43    QQG  VAL   4           QQG      VAL   4   0.940   4.185   5.499
   44    H    ILE   5           HN       ILE   5   0.665   4.043   1.617
   45    HA   ILE   5           HA       ILE   5   2.957   2.471   0.496
   46    HB   ILE   5           HB       ILE   5   1.006   4.398  -0.857
   47   1HG1  ILE   5          2HG1      ILE   5   0.250   2.507  -2.187
   48   2HG1  ILE   5          3HG1      ILE   5   1.431   1.452  -1.440
   49   1HG2  ILE   5          2HG2      ILE   5   3.347   2.842  -2.028
   50   2HG2  ILE   5          3HG2      ILE   5   2.174   3.763  -2.965
   51   3HG2  ILE   5          1HG2      ILE   5   3.253   4.593  -1.851
   52   1HD1  ILE   5          2HD1      ILE   5  -0.834   2.808   0.065
   53   2HD1  ILE   5          3HD1      ILE   5  -0.884   1.150  -0.526
   54   3HD1  ILE   5          1HD1      ILE   5   0.275   1.601   0.715
   55    QG1  ILE   5           QG1      ILE   5   0.840   1.980  -1.813
   56    QG2  ILE   5           QG2      ILE   5   2.925   3.733  -2.281
   57    QD1  ILE   5           QD1      ILE   5  -0.481   1.853   0.085
   58    H    PHE   6           HN       PHE   6   4.904   3.479   0.380
   59    HA   PHE   6           HA       PHE   6   5.020   6.436   0.911
   60   1HB   PHE   6          2HB       PHE   6   6.860   4.177   1.759
   61   2HB   PHE   6          3HB       PHE   6   7.447   5.828   1.648
   62    HD1  PHE   6          1HD       PHE   6   6.622   7.567   3.179
   63    HD2  PHE   6          2HD       PHE   6   5.207   3.559   3.487
   64    HE1  PHE   6          1HE       PHE   6   5.741   8.046   5.419
   65    HE2  PHE   6          2HE       PHE   6   4.314   4.048   5.718
   66    HZ   PHE   6           HZ       PHE   6   4.588   6.285   6.694
   67    QB   PHE   6           QB       PHE   6   7.153   5.002   1.703
   68    QR   PHE   6           QR       PHE   6   5.471   5.805   4.451
   69    H    GLY   7           HN       GLY   7   5.342   7.328  -1.027
   70   1HA   GLY   7          1HA       GLY   7   7.518   6.242  -2.726
   71   2HA   GLY   7          2HA       GLY   7   5.922   6.366  -3.464
   72    QA   GLY   7           QA       GLY   7   6.720   6.304  -3.095
   73    NH1  ARG   8           NH2      ARG   8   8.411  14.640  -7.311
   74    NH2  ARG   8           NH1      ARG   8  10.480  14.225  -8.197
   75    H    ARG   8           HN       ARG   8   6.939   7.845  -4.959
   76    HA   ARG   8           HA       ARG   8   7.345  10.565  -3.766
   77   1HB   ARG   8          2HB       ARG   8   9.185   9.246  -5.309
   78   2HB   ARG   8          3HB       ARG   8   8.271  10.069  -6.563
   79   1HG   ARG   8          2HG       ARG   8   8.530  12.160  -4.909
   80   2HG   ARG   8          3HG       ARG   8   9.898  11.232  -4.324
   81   1HD   ARG   8          2HD       ARG   8  10.848  12.593  -6.007
   82   2HD   ARG   8          3HD       ARG   8  10.614  11.046  -6.817
   83    HE   ARG   8           HE       ARG   8   8.545  12.038  -7.878
   84   1HH1  ARG   8          2HH2      ARG   8   7.562  14.281  -6.893
   85   2HH1  ARG   8          1HH2      ARG   8   8.499  15.623  -7.458
   86   1HH2  ARG   8          2HH1      ARG   8  11.189  13.557  -8.436
   87   2HH2  ARG   8          1HH1      ARG   8  10.633  15.195  -8.386
   88    QB   ARG   8           QB       ARG   8   8.728   9.658  -5.936
   89    QG   ARG   8           QG       ARG   8   9.214  11.696  -4.617
   90    QD   ARG   8           QD       ARG   8  10.731  11.819  -6.412
   91    QH1  ARG   8           QH2      ARG   8   8.030  14.952  -7.175
   92    QH2  ARG   8           QH1      ARG   8  10.911  14.376  -8.411
   93    H    SER   9           HN       SER   9   7.175  11.934  -6.150
   94    HA   SER   9           HA       SER   9   4.361  11.507  -7.030
   95   1HB   SER   9          2HB       SER   9   4.454  14.171  -7.054
   96   2HB   SER   9          3HB       SER   9   4.202  13.335  -5.509
   97    HG   SER   9           HG       SER   9   6.167  13.841  -4.884
   98    QB   SER   9           QB       SER   9   4.328  13.753  -6.282
   99    H    GLY  10           HN       GLY  10   3.930  12.275  -9.208
  100   1HA   GLY  10          1HA       GLY  10   4.850  13.536 -11.178
  101   2HA   GLY  10          2HA       GLY  10   6.415  12.850 -10.787
  102    QA   GLY  10           QA       GLY  10   5.632  13.193 -10.982
  103    H    CYS  11           HN       CYS  11   5.653  10.121 -10.435
  104    HA   CYS  11           HA       CYS  11   5.018   9.530 -13.292
  105   1HB   CYS  11          2HB       CYS  11   6.433   7.800 -11.258
  106   2HB   CYS  11          3HB       CYS  11   6.218   7.424 -12.948
  107    HG   CYS  11           HG       CYS  11   8.303   9.393 -11.819
  108    QB   CYS  11           QB       CYS  11   6.326   7.612 -12.103
  109    HA   PRO  12           HA       PRO  12   1.491   7.205 -11.894
  110   1HB   PRO  12          2HB       PRO  12   0.867   6.008 -14.287
  111   2HB   PRO  12          3HB       PRO  12   0.511   7.702 -13.931
  112   1HG   PRO  12          2HG       PRO  12   2.688   6.541 -15.633
  113   2HG   PRO  12          3HG       PRO  12   1.844   8.084 -15.801
  114   1HD   PRO  12          2HD       PRO  12   4.415   7.741 -14.687
  115   2HD   PRO  12          3HD       PRO  12   3.398   9.185 -14.510
  116    QB   PRO  12           QB       PRO  12   0.689   6.855 -14.109
  117    QG   PRO  12           QG       PRO  12   2.266   7.312 -15.717
  118    QD   PRO  12           QD       PRO  12   3.906   8.463 -14.598
  119    OH   TYR  13           OH       TYR  13   7.830  -1.065 -10.212
  120    H    TYR  13           HN       TYR  13   3.394   6.034 -10.765
  121    HA   TYR  13           HA       TYR  13   3.554   3.206 -11.780
  122   1HB   TYR  13          2HB       TYR  13   5.731   4.507 -11.505
  123   2HB   TYR  13          3HB       TYR  13   5.415   4.569  -9.781
  124    HD1  TYR  13           HD2      TYR  13   5.413   1.998 -12.523
  125    HD2  TYR  13           HD1      TYR  13   6.464   2.895  -8.495
  126    HE1  TYR  13           HE2      TYR  13   6.545  -0.171 -12.334
  127    HE2  TYR  13           HE1      TYR  13   7.587   0.715  -8.308
  128    HH   TYR  13           HH       TYR  13   8.519  -1.071 -10.886
  129    QB   TYR  13           QB       TYR  13   5.573   4.538 -10.643
  130    QR   TYR  13           QR       TYR  13   6.502   1.359 -10.415
  131    H    CYS  14           HN       CYS  14   4.001   4.704  -8.593
  132    HA   CYS  14           HA       CYS  14   2.810   2.658  -7.071
  133   1HB   CYS  14          2HB       CYS  14   2.400   5.510  -6.227
  134   2HB   CYS  14          3HB       CYS  14   2.843   4.126  -5.266
  135    HG   CYS  14           HG       CYS  14   5.212   4.689  -5.504
  136    QB   CYS  14           QB       CYS  14   2.621   4.818  -5.746
  137    H    VAL  15           HN       VAL  15   1.446   5.170  -8.971
  138    HA   VAL  15           HA       VAL  15  -1.134   5.554  -8.144
  139    HB   VAL  15           HB       VAL  15  -0.004   5.036 -10.910
  140   1HG1  VAL  15          3HG1      VAL  15  -2.850   5.893 -10.265
  141   2HG1  VAL  15          1HG1      VAL  15  -2.129   5.873 -11.869
  142   3HG1  VAL  15          2HG1      VAL  15  -2.385   4.368 -11.002
  143   1HG2  VAL  15          2HG2      VAL  15  -1.048   7.513  -9.490
  144   2HG2  VAL  15          3HG2      VAL  15   0.647   7.126  -9.768
  145   3HG2  VAL  15          1HG2      VAL  15  -0.413   7.486 -11.131
  146    QG1  VAL  15           QG1      VAL  15  -2.455   5.378 -11.045
  147    QG2  VAL  15           QG2      VAL  15  -0.272   7.375 -10.130
  148    QQG  VAL  15           QQG      VAL  15  -1.363   6.377 -10.588
  149    NH1  ARG  16           NH2      ARG  16  -3.297   2.028 -12.215
  150    NH2  ARG  16           NH1      ARG  16  -5.430   1.405 -11.683
  151    H    ARG  16           HN       ARG  16   0.134   2.611  -9.686
  152    HA   ARG  16           HA       ARG  16  -2.469   1.393  -9.777
  153   1HB   ARG  16          2HB       ARG  16  -0.561   0.949 -11.361
  154   2HB   ARG  16          3HB       ARG  16   0.280   0.158 -10.039
  155   1HG   ARG  16          2HG       ARG  16  -0.763  -1.573 -11.176
  156   2HG   ARG  16          3HG       ARG  16  -1.790  -1.307  -9.784
  157   1HD   ARG  16          2HD       ARG  16  -2.302  -0.206 -12.580
  158   2HD   ARG  16          3HD       ARG  16  -3.071  -1.638 -11.918
  159    HE   ARG  16           HE       ARG  16  -4.089  -0.103 -10.147
  160   1HH1  ARG  16          2HH2      ARG  16  -2.318   1.846 -12.144
  161   2HH1  ARG  16          1HH2      ARG  16  -3.622   2.820 -12.735
  162   1HH2  ARG  16          2HH1      ARG  16  -6.037   0.751 -11.209
  163   2HH2  ARG  16          1HH1      ARG  16  -5.820   2.176 -12.178
  164    QB   ARG  16           QB       ARG  16  -0.140   0.554 -10.700
  165    QG   ARG  16           QG       ARG  16  -1.277  -1.440 -10.480
  166    QD   ARG  16           QD       ARG  16  -2.687  -0.922 -12.249
  167    QH1  ARG  16           QH2      ARG  16  -2.970   2.333 -12.440
  168    QH2  ARG  16           QH1      ARG  16  -5.929   1.464 -11.693
  169    H    ALA  17           HN       ALA  17   0.454   0.882  -7.771
  170    HA   ALA  17           HA       ALA  17  -0.623  -1.118  -6.072
  171   1HB   ALA  17          3HB       ALA  17   1.741  -0.368  -5.924
  172   2HB   ALA  17          1HB       ALA  17   1.206   1.165  -5.236
  173   3HB   ALA  17          2HB       ALA  17   0.959  -0.336  -4.347
  174    QB   ALA  17           QB       ALA  17   1.302   0.154  -5.169
  175    H    LYS  18           HN       LYS  18  -1.033   2.361  -6.072
  176    HA   LYS  18           HA       LYS  18  -2.570   2.534  -3.645
  177   1HB   LYS  18          2HB       LYS  18  -1.562   4.532  -4.916
  178   2HB   LYS  18          3HB       LYS  18  -2.906   4.380  -6.039
  179   1HG   LYS  18          2HG       LYS  18  -4.381   4.372  -3.838
  180   2HG   LYS  18          3HG       LYS  18  -2.951   5.077  -3.103
  181   1HD   LYS  18          2HD       LYS  18  -4.158   6.981  -3.763
  182   2HD   LYS  18          3HD       LYS  18  -3.025   6.771  -5.090
  183   1HE   LYS  18          2HE       LYS  18  -5.224   7.155  -6.045
  184   2HE   LYS  18          3HE       LYS  18  -4.801   5.473  -6.328
  185   1HZ   LYS  18          1HZ       LYS  18  -6.150   5.690  -3.837
  186   2HZ   LYS  18          2HZ       LYS  18  -7.067   6.460  -5.025
  187   3HZ   LYS  18          3HZ       LYS  18  -6.628   4.845  -5.242
  188    QB   LYS  18           QB       LYS  18  -2.234   4.456  -5.478
  189    QG   LYS  18           QG       LYS  18  -3.666   4.724  -3.470
  190    QD   LYS  18           QD       LYS  18  -3.591   6.876  -4.426
  191    QE   LYS  18           QE       LYS  18  -5.013   6.314  -6.186
  192    QZ   LYS  18           QZ       LYS  18  -6.615   5.665  -4.701
  193    H    ASP  19           HN       ASP  19  -3.618   2.654  -7.079
  194    HA   ASP  19           HA       ASP  19  -6.367   2.439  -6.721
  195   1HB   ASP  19          2HB       ASP  19  -5.586   2.608  -8.956
  196   2HB   ASP  19          3HB       ASP  19  -4.470   1.266  -8.764
  197    QB   ASP  19           QB       ASP  19  -5.028   1.937  -8.860
  198    H    LEU  20           HN       LEU  20  -4.007  -0.157  -6.673
  199    HA   LEU  20           HA       LEU  20  -5.785  -2.328  -6.200
  200   1HB   LEU  20          2HB       LEU  20  -3.425  -2.678  -6.838
  201   2HB   LEU  20          3HB       LEU  20  -2.889  -1.962  -5.330
  202    HG   LEU  20           HG       LEU  20  -3.782  -3.783  -4.027
  203   1HD1  LEU  20          2HD1      LEU  20  -4.906  -4.834  -6.652
  204   2HD1  LEU  20          3HD1      LEU  20  -4.895  -5.731  -5.135
  205   3HD1  LEU  20          1HD1      LEU  20  -5.846  -4.259  -5.276
  206   1HD2  LEU  20          3HD2      LEU  20  -2.346  -4.812  -6.506
  207   2HD2  LEU  20          1HD2      LEU  20  -1.569  -4.130  -5.083
  208   3HD2  LEU  20          2HD2      LEU  20  -2.436  -5.656  -4.963
  209    QB   LEU  20           QB       LEU  20  -3.157  -2.320  -6.084
  210    QD1  LEU  20           QD1      LEU  20  -5.215  -4.941  -5.688
  211    QD2  LEU  20           QD2      LEU  20  -2.117  -4.866  -5.518
  212    QQD  LEU  20           QQD      LEU  20  -3.666  -4.904  -5.603
  213    H    ALA  21           HN       ALA  21  -3.682  -0.683  -3.844
  214    HA   ALA  21           HA       ALA  21  -4.723  -1.757  -1.481
  215   1HB   ALA  21          1HB       ALA  21  -2.788  -0.190  -1.567
  216   2HB   ALA  21          2HB       ALA  21  -3.887   1.135  -1.945
  217   3HB   ALA  21          3HB       ALA  21  -3.977   0.331  -0.379
  218    QB   ALA  21           QB       ALA  21  -3.551   0.425  -1.297
  219    H    GLU  22           HN       GLU  22  -5.864   0.994  -3.286
  220    HA   GLU  22           HA       GLU  22  -8.059   1.727  -1.620
  221   1HB   GLU  22          2HB       GLU  22  -6.908   3.099  -3.442
  222   2HB   GLU  22          3HB       GLU  22  -7.729   2.098  -4.616
  223   1HG   GLU  22          2HG       GLU  22  -9.863   2.929  -4.054
  224   2HG   GLU  22          3HG       GLU  22  -9.312   3.565  -2.507
  225    QB   GLU  22           QB       GLU  22  -7.319   2.598  -4.029
  226    QG   GLU  22           QG       GLU  22  -9.588   3.247  -3.280
  227    H    LYS  23           HN       LYS  23  -7.787  -0.339  -4.465
  228    HA   LYS  23           HA       LYS  23 -10.557  -0.955  -4.812
  229   1HB   LYS  23          2HB       LYS  23  -8.317  -1.697  -6.210
  230   2HB   LYS  23          3HB       LYS  23  -8.554  -3.140  -5.261
  231   1HG   LYS  23          2HG       LYS  23 -10.261  -3.819  -6.542
  232   2HG   LYS  23          3HG       LYS  23 -11.117  -2.308  -6.307
  233   1HD   LYS  23          2HD       LYS  23  -8.803  -2.412  -8.240
  234   2HD   LYS  23          3HD       LYS  23 -10.361  -3.057  -8.727
  235   1HE   LYS  23          2HE       LYS  23 -10.103  -0.682  -9.390
  236   2HE   LYS  23          3HE       LYS  23 -11.446  -0.910  -8.284
  237   1HZ   LYS  23          1HZ       LYS  23  -9.149  -0.362  -6.767
  238   2HZ   LYS  23          2HZ       LYS  23  -9.214   0.748  -8.032
  239   3HZ   LYS  23          3HZ       LYS  23 -10.536   0.601  -6.967
  240    QB   LYS  23           QB       LYS  23  -8.435  -2.418  -5.735
  241    QG   LYS  23           QG       LYS  23 -10.689  -3.063  -6.425
  242    QD   LYS  23           QD       LYS  23  -9.582  -2.734  -8.483
  243    QE   LYS  23           QE       LYS  23 -10.775  -0.796  -8.837
  244    QZ   LYS  23           QZ       LYS  23  -9.633   0.329  -7.255
  245    H    LEU  24           HN       LEU  24  -7.975  -2.660  -3.180
  246    HA   LEU  24           HA       LEU  24  -9.481  -4.700  -1.940
  247   1HB   LEU  24          2HB       LEU  24  -7.089  -3.207  -0.781
  248   2HB   LEU  24          3HB       LEU  24  -7.670  -4.773  -0.242
  249    HG   LEU  24           HG       LEU  24  -6.754  -4.234  -3.089
  250   1HD1  LEU  24          3HD1      LEU  24  -5.246  -5.462  -0.752
  251   2HD1  LEU  24          1HD1      LEU  24  -4.659  -5.380  -2.408
  252   3HD1  LEU  24          2HD1      LEU  24  -4.896  -3.905  -1.481
  253   1HD2  LEU  24          2HD2      LEU  24  -7.278  -6.790  -1.519
  254   2HD2  LEU  24          3HD2      LEU  24  -8.273  -6.156  -2.829
  255   3HD2  LEU  24          1HD2      LEU  24  -6.645  -6.727  -3.159
  256    QB   LEU  24           QB       LEU  24  -7.379  -3.990  -0.511
  257    QD1  LEU  24           QD1      LEU  24  -4.934  -4.916  -1.547
  258    QD2  LEU  24           QD2      LEU  24  -7.399  -6.558  -2.502
  259    QQD  LEU  24           QQD      LEU  24  -6.166  -5.737  -2.025
  260    H    SER  25           HN       SER  25  -8.632  -1.473  -0.840
  261    HA   SER  25           HA       SER  25  -9.955  -1.464   1.614
  262   1HB   SER  25          2HB       SER  25  -8.512   0.413   0.603
  263   2HB   SER  25          3HB       SER  25  -9.988   0.939  -0.230
  264    HG   SER  25           HG       SER  25 -10.689   0.363   2.255
  265    QB   SER  25           QB       SER  25  -9.250   0.676   0.187
  266    H    ASN  26           HN       ASN  26 -11.329  -1.328  -1.542
  267    HA   ASN  26           HA       ASN  26 -14.049  -0.776  -0.420
  268   1HB   ASN  26          2HB       ASN  26 -13.099   0.622  -2.333
  269   2HB   ASN  26          3HB       ASN  26 -13.125  -0.829  -3.323
  270   1HD2  ASN  26          2HD2      ASN  26 -16.733  -0.767  -3.641
  271   2HD2  ASN  26          1HD2      ASN  26 -15.438  -1.867  -3.540
  272    QB   ASN  26           QB       ASN  26 -13.112  -0.104  -2.828
  273    QD2  ASN  26           QD2      ASN  26 -16.085  -1.317  -3.591
  274    H    GLU  27           HN       GLU  27 -12.185  -3.334  -0.808
  275    HA   GLU  27           HA       GLU  27 -14.347  -5.163  -1.801
  276   1HB   GLU  27          2HB       GLU  27 -11.326  -5.479  -1.870
  277   2HB   GLU  27          3HB       GLU  27 -12.433  -6.794  -2.215
  278   1HG   GLU  27          2HG       GLU  27 -13.371  -5.599  -4.107
  279   2HG   GLU  27          3HG       GLU  27 -12.463  -4.150  -3.712
  280    QB   GLU  27           QB       GLU  27 -11.879  -6.137  -2.042
  281    QG   GLU  27           QG       GLU  27 -12.917  -4.874  -3.909
  282    NH1  ARG  28           NH1      ARG  28 -13.207 -10.645   1.456
  283    NH2  ARG  28           NH2      ARG  28 -11.654 -10.748  -0.197
  284    H    ARG  28           HN       ARG  28 -11.973  -4.594   0.716
  285    HA   ARG  28           HA       ARG  28 -13.093  -6.860   2.308
  286   1HB   ARG  28          2HB       ARG  28 -10.397  -5.675   1.982
  287   2HB   ARG  28          3HB       ARG  28 -10.845  -5.961   3.656
  288   1HG   ARG  28          2HG       ARG  28  -9.713  -7.923   2.817
  289   2HG   ARG  28          3HG       ARG  28 -11.396  -8.328   3.086
  290   1HD   ARG  28          2HD       ARG  28 -10.667  -7.373   0.346
  291   2HD   ARG  28          3HD       ARG  28 -10.082  -8.965   0.810
  292    HE   ARG  28           HE       ARG  28 -12.967  -8.164   0.619
  293   1HH1  ARG  28          2HH1      ARG  28 -13.746 -10.098   2.094
  294   2HH1  ARG  28          1HH1      ARG  28 -13.314 -11.649   1.436
  295   1HH2  ARG  28          2HH2      ARG  28 -10.989 -10.290  -0.786
  296   2HH2  ARG  28          1HH2      ARG  28 -11.774 -11.748  -0.274
  297    QB   ARG  28           QB       ARG  28 -10.621  -5.818   2.819
  298    QG   ARG  28           QG       ARG  28 -10.555  -8.125   2.952
  299    QD   ARG  28           QD       ARG  28 -10.374  -8.169   0.578
  300    QH1  ARG  28           QH1      ARG  28 -13.530 -10.874   1.765
  301    QH2  ARG  28           QH2      ARG  28 -11.382 -11.019  -0.530
  302    H    ASP  29           HN       ASP  29 -13.643  -6.465   4.492
  303    HA   ASP  29           HA       ASP  29 -14.657  -3.762   4.973
  304   1HB   ASP  29          2HB       ASP  29 -14.750  -6.155   6.849
  305   2HB   ASP  29          3HB       ASP  29 -15.830  -4.764   6.838
  306    QB   ASP  29           QB       ASP  29 -15.290  -5.459   6.843
  307    H    ASP  30           HN       ASP  30 -11.985  -5.724   6.047
  308    HA   ASP  30           HA       ASP  30 -11.342  -3.794   8.224
  309   1HB   ASP  30          2HB       ASP  30  -9.711  -5.442   8.928
  310   2HB   ASP  30          3HB       ASP  30 -11.171  -6.337   8.520
  311    QB   ASP  30           QB       ASP  30 -10.441  -5.889   8.724
  312    H    PHE  31           HN       PHE  31 -10.999  -3.527   5.093
  313    HA   PHE  31           HA       PHE  31  -8.088  -2.852   5.181
  314   1HB   PHE  31          2HB       PHE  31  -8.929  -4.628   3.572
  315   2HB   PHE  31          3HB       PHE  31  -9.720  -3.334   2.682
  316    HD1  PHE  31          1HD       PHE  31  -8.030  -1.205   2.255
  317    HD2  PHE  31          2HD       PHE  31  -6.787  -5.241   2.847
  318    HE1  PHE  31          1HE       PHE  31  -5.942  -0.734   1.092
  319    HE2  PHE  31          2HE       PHE  31  -4.670  -4.730   1.736
  320    HZ   PHE  31           HZ       PHE  31  -4.253  -2.487   0.826
  321    QB   PHE  31           QB       PHE  31  -9.325  -3.981   3.127
  322    QR   PHE  31           QR       PHE  31  -6.357  -2.977   1.983
  323    H    GLN  32           HN       GLN  32  -7.457  -0.945   5.120
  324    HA   GLN  32           HA       GLN  32  -8.785   1.184   3.545
  325   1HB   GLN  32          2HB       GLN  32  -8.222   1.324   6.524
  326   2HB   GLN  32          3HB       GLN  32  -8.328   2.779   5.538
  327   1HG   GLN  32          2HG       GLN  32 -10.617   1.995   4.773
  328   2HG   GLN  32          3HG       GLN  32 -10.510   0.702   5.962
  329   1HE2  GLN  32          1HE2      GLN  32 -11.827   2.888   8.395
  330   2HE2  GLN  32          2HE2      GLN  32 -11.841   1.347   7.682
  331    QB   GLN  32           QB       GLN  32  -8.275   2.051   6.031
  332    QG   GLN  32           QG       GLN  32 -10.563   1.349   5.367
  333    QE2  GLN  32           QE2      GLN  32 -11.834   2.117   8.039
  334    OH   TYR  33           OH       TYR  33  -6.337   5.844  -2.117
  335    H    TYR  33           HN       TYR  33  -7.121   2.920   3.069
  336    HA   TYR  33           HA       TYR  33  -4.375   2.092   3.845
  337   1HB   TYR  33          2HB       TYR  33  -3.552   1.879   1.639
  338   2HB   TYR  33          3HB       TYR  33  -5.107   1.062   1.574
  339    HD1  TYR  33           HD1      TYR  33  -7.139   2.410   0.730
  340    HD2  TYR  33           HD2      TYR  33  -3.127   3.734   0.249
  341    HE1  TYR  33           HE1      TYR  33  -7.891   4.099  -0.877
  342    HE2  TYR  33           HE2      TYR  33  -3.875   5.434  -1.345
  343    HH   TYR  33           HH       TYR  33  -7.317   5.832  -2.130
  344    QB   TYR  33           QB       TYR  33  -4.329   1.470   1.606
  345    QR   TYR  33           QR       TYR  33  -5.508   3.919  -0.311
  346    H    GLN  34           HN       GLN  34  -2.763   3.597   3.041
  347    HA   GLN  34           HA       GLN  34  -3.645   6.436   2.858
  348   1HB   GLN  34          2HB       GLN  34  -2.127   5.106   5.016
  349   2HB   GLN  34          3HB       GLN  34  -1.281   6.491   4.352
  350   1HG   GLN  34          2HG       GLN  34  -3.291   7.902   4.773
  351   2HG   GLN  34          3HG       GLN  34  -4.095   6.503   5.489
  352   1HE2  GLN  34          2HE2      GLN  34  -1.671   8.616   7.821
  353   2HE2  GLN  34          1HE2      GLN  34  -2.418   9.206   6.420
  354    QB   GLN  34           QB       GLN  34  -1.704   5.798   4.684
  355    QG   GLN  34           QG       GLN  34  -3.693   7.203   5.131
  356    QE2  GLN  34           QE2      GLN  34  -2.044   8.911   7.120
  357    OH   TYR  35           OH       TYR  35   3.648   7.556  -4.296
  358    H    TYR  35           HN       TYR  35  -2.225   7.718   1.641
  359    HA   TYR  35           HA       TYR  35   0.146   6.300   0.479
  360   1HB   TYR  35          2HB       TYR  35  -1.661   6.629  -1.267
  361   2HB   TYR  35          3HB       TYR  35  -1.545   8.368  -0.991
  362    HD1  TYR  35           HD1      TYR  35   0.750   9.499  -1.371
  363    HD2  TYR  35           HD2      TYR  35  -0.043   5.515  -2.636
  364    HE1  TYR  35           HE1      TYR  35   2.791   9.532  -2.731
  365    HE2  TYR  35           HE2      TYR  35   1.964   5.571  -4.032
  366    HH   TYR  35           HH       TYR  35   3.882   8.477  -4.518
  367    QB   TYR  35           QB       TYR  35  -1.603   7.499  -1.129
  368    QR   TYR  35           QR       TYR  35   1.365   7.529  -2.692
  369    H    VAL  36           HN       VAL  36   1.951   7.305   1.067
  370    HA   VAL  36           HA       VAL  36   1.755  10.220   1.717
  371    HB   VAL  36           HB       VAL  36   3.810   8.373   2.961
  372   1HG1  VAL  36          1HG1      VAL  36   4.039  10.845   3.235
  373   2HG1  VAL  36          2HG1      VAL  36   2.422  10.905   3.935
  374   3HG1  VAL  36          3HG1      VAL  36   3.712  10.055   4.774
  375   1HG2  VAL  36          1HG2      VAL  36   0.984   8.856   3.983
  376   2HG2  VAL  36          2HG2      VAL  36   1.623   7.314   3.415
  377   3HG2  VAL  36          3HG2      VAL  36   2.264   8.045   4.881
  378    QG1  VAL  36           QG1      VAL  36   3.391  10.602   3.981
  379    QG2  VAL  36           QG2      VAL  36   1.624   8.072   4.093
  380    QQG  VAL  36           QQG      VAL  36   2.507   9.337   4.037
  381    H    ASP  37           HN       ASP  37   3.236  11.495   0.781
  382    HA   ASP  37           HA       ASP  37   5.069  10.260  -1.219
  383   1HB   ASP  37          2HB       ASP  37   3.794  11.799  -2.414
  384   2HB   ASP  37          3HB       ASP  37   3.569  12.852  -1.034
  385    QB   ASP  37           QB       ASP  37   3.681  12.325  -1.724
  386    H    ILE  38           HN       ILE  38   7.189  10.366  -0.891
  387    HA   ILE  38           HA       ILE  38   8.320  11.078   1.573
  388    HB   ILE  38           HB       ILE  38  10.519  11.011   0.402
  389   1HG1  ILE  38          2HG1      ILE  38  10.019  10.152  -2.150
  390   2HG1  ILE  38          3HG1      ILE  38   8.749  11.356  -1.965
  391   1HG2  ILE  38          2HG2      ILE  38   9.391   8.949   1.140
  392   2HG2  ILE  38          3HG2      ILE  38   8.549   8.843  -0.400
  393   3HG2  ILE  38          1HG2      ILE  38  10.300   8.665  -0.342
  394   1HD1  ILE  38          2HD1      ILE  38  10.451  13.012  -1.216
  395   2HD1  ILE  38          3HD1      ILE  38  11.710  11.805  -1.431
  396   3HD1  ILE  38          1HD1      ILE  38  10.817  12.408  -2.826
  397    QG1  ILE  38           QG1      ILE  38   9.384  10.754  -2.057
  398    QG2  ILE  38           QG2      ILE  38   9.414   8.819   0.133
  399    QD1  ILE  38           QD1      ILE  38  10.993  12.408  -1.824
  400    NH1  ARG  39           NH1      ARG  39   4.641  18.359  -0.240
  401    NH2  ARG  39           NH2      ARG  39   3.912  17.480  -2.227
  402    H    ARG  39           HN       ARG  39   7.637  13.095  -1.160
  403    HA   ARG  39           HA       ARG  39   9.276  15.289  -0.112
  404   1HB   ARG  39          2HB       ARG  39   8.952  15.021  -2.535
  405   2HB   ARG  39          3HB       ARG  39   7.234  15.197  -2.374
  406   1HG   ARG  39          2HG       ARG  39   9.290  17.334  -1.720
  407   2HG   ARG  39          3HG       ARG  39   8.314  17.279  -3.175
  408   1HD   ARG  39          2HD       ARG  39   7.499  17.999  -0.389
  409   2HD   ARG  39          3HD       ARG  39   7.076  18.759  -1.912
  410    HE   ARG  39           HE       ARG  39   5.932  16.059  -1.625
  411   1HH1  ARG  39          2HH1      ARG  39   5.378  18.421   0.442
  412   2HH1  ARG  39          1HH1      ARG  39   3.779  18.832  -0.080
  413   1HH2  ARG  39          2HH2      ARG  39   4.104  16.886  -3.010
  414   2HH2  ARG  39          1HH2      ARG  39   3.028  17.935  -2.156
  415    QB   ARG  39           QB       ARG  39   8.093  15.109  -2.454
  416    QG   ARG  39           QG       ARG  39   8.802  17.307  -2.447
  417    QD   ARG  39           QD       ARG  39   7.288  18.379  -1.150
  418    QH1  ARG  39           QH1      ARG  39   4.579  18.627   0.181
  419    QH2  ARG  39           QH2      ARG  39   3.566  17.410  -2.583
  420    H    ALA  40           HN       ALA  40   5.864  14.338  -0.161
  421    HA   ALA  40           HA       ALA  40   4.505  16.518   0.843
  422   1HB   ALA  40          1HB       ALA  40   3.449  14.333   0.445
  423   2HB   ALA  40          2HB       ALA  40   4.247  13.691   1.878
  424   3HB   ALA  40          3HB       ALA  40   3.037  14.958   2.041
  425    QB   ALA  40           QB       ALA  40   3.578  14.327   1.455
  426    H    GLU  41           HN       GLU  41   6.220  14.190   2.839
  427    HA   GLU  41           HA       GLU  41   6.358  16.251   5.013
  428   1HB   GLU  41          2HB       GLU  41   6.468  13.213   5.154
  429   2HB   GLU  41          3HB       GLU  41   6.750  14.270   6.530
  430   1HG   GLU  41          2HG       GLU  41   4.468  15.283   6.145
  431   2HG   GLU  41          3HG       GLU  41   4.193  14.072   4.893
  432    QB   GLU  41           QB       GLU  41   6.609  13.741   5.842
  433    QG   GLU  41           QG       GLU  41   4.331  14.677   5.519
  434    H    GLY  42           HN       GLY  42   8.105  16.330   2.860
  435   1HA   GLY  42          1HA       GLY  42  10.391  15.999   2.207
  436   2HA   GLY  42          2HA       GLY  42  10.520  17.083   3.581
  437    QA   GLY  42           QA       GLY  42  10.455  16.541   2.894
  438    H    ILE  43           HN       ILE  43  10.262  13.634   2.886
  439    HA   ILE  43           HA       ILE  43  11.888  13.034   5.297
  440    HB   ILE  43           HB       ILE  43  10.543  11.138   3.325
  441   1HG1  ILE  43          2HG1      ILE  43   9.609  12.197   6.023
  442   2HG1  ILE  43          3HG1      ILE  43   8.917  12.603   4.464
  443   1HG2  ILE  43          3HG2      ILE  43  11.684  10.681   6.123
  444   2HG2  ILE  43          1HG2      ILE  43  10.827   9.475   5.170
  445   3HG2  ILE  43          2HG2      ILE  43  12.371  10.078   4.617
  446   1HD1  ILE  43          2HD1      ILE  43   8.318  10.211   4.117
  447   2HD1  ILE  43          3HD1      ILE  43   8.958   9.833   5.715
  448   3HD1  ILE  43          1HD1      ILE  43   7.558  10.878   5.554
  449    QG1  ILE  43           QG1      ILE  43   9.263  12.400   5.244
  450    QG2  ILE  43           QG2      ILE  43  11.627  10.078   5.303
  451    QD1  ILE  43           QD1      ILE  43   8.278  10.307   5.129
  452    H    THR  44           HN       THR  44  13.687  11.481   5.088
  453    HA   THR  44           HA       THR  44  15.218  11.926   2.557
  454    HB   THR  44           HB       THR  44  17.247  11.667   4.079
  455    HG1  THR  44          1HG       THR  44  16.862  11.060   6.068
  456   1HG2  THR  44          2HG2      THR  44  16.176  13.980   3.792
  457   2HG2  THR  44          3HG2      THR  44  15.197  13.635   5.213
  458   3HG2  THR  44          1HG2      THR  44  16.947  13.754   5.358
  459    QG2  THR  44           QG2      THR  44  16.107  13.789   4.788
  460    H    LYS  45           HN       LYS  45  17.069  10.052   2.486
  461    HA   LYS  45           HA       LYS  45  15.514   7.593   2.097
  462   1HB   LYS  45          2HB       LYS  45  18.478   8.222   1.805
  463   2HB   LYS  45          3HB       LYS  45  17.792   6.641   1.460
  464   1HG   LYS  45          2HG       LYS  45  16.583   9.090   0.183
  465   2HG   LYS  45          3HG       LYS  45  18.058   8.406  -0.486
  466   1HD   LYS  45          2HD       LYS  45  16.904   6.183  -0.664
  467   2HD   LYS  45          3HD       LYS  45  15.415   6.936  -0.087
  468   1HE   LYS  45          2HE       LYS  45  15.346   8.417  -2.008
  469   2HE   LYS  45          3HE       LYS  45  16.950   7.909  -2.518
  470   1HZ   LYS  45          3HZ       LYS  45  15.288   5.631  -2.311
  471   2HZ   LYS  45          1HZ       LYS  45  14.512   6.804  -3.267
  472   3HZ   LYS  45          2HZ       LYS  45  16.082   6.265  -3.666
  473    QB   LYS  45           QB       LYS  45  18.135   7.431   1.633
  474    QG   LYS  45           QG       LYS  45  17.321   8.748  -0.152
  475    QD   LYS  45           QD       LYS  45  16.159   6.559  -0.376
  476    QE   LYS  45           QE       LYS  45  16.148   8.163  -2.263
  477    QZ   LYS  45           QZ       LYS  45  15.294   6.234  -3.081
  478    H    GLU  46           HN       GLU  46  18.293   8.431   4.161
  479    HA   GLU  46           HA       GLU  46  18.593   6.122   5.635
  480   1HB   GLU  46          2HB       GLU  46  18.456   8.676   7.219
  481   2HB   GLU  46          3HB       GLU  46  19.651   7.391   7.287
  482   1HG   GLU  46          2HG       GLU  46  20.820   9.157   6.229
  483   2HG   GLU  46          3HG       GLU  46  20.310   8.157   4.873
  484    QB   GLU  46           QB       GLU  46  19.053   8.033   7.253
  485    QG   GLU  46           QG       GLU  46  20.565   8.657   5.551
  486    H    ASP  47           HN       ASP  47  16.243   8.704   6.431
  487    HA   ASP  47           HA       ASP  47  14.984   7.473   8.635
  488   1HB   ASP  47          2HB       ASP  47  14.449   9.774   7.976
  489   2HB   ASP  47          3HB       ASP  47  13.805   9.227   6.437
  490    QB   ASP  47           QB       ASP  47  14.127   9.500   7.206
  491    H    LEU  48           HN       LEU  48  13.901   7.341   5.273
  492    HA   LEU  48           HA       LEU  48  11.838   5.412   5.470
  493   1HB   LEU  48          2HB       LEU  48  13.650   6.499   3.382
  494   2HB   LEU  48          3HB       LEU  48  13.053   4.901   3.005
  495    HG   LEU  48           HG       LEU  48  11.197   7.152   3.836
  496   1HD1  LEU  48          2HD1      LEU  48  12.105   6.320   1.054
  497   2HD1  LEU  48          3HD1      LEU  48  10.790   7.437   1.384
  498   3HD1  LEU  48          1HD1      LEU  48  12.436   7.864   1.831
  499   1HD2  LEU  48          3HD2      LEU  48  10.772   4.550   2.290
  500   2HD2  LEU  48          1HD2      LEU  48  10.290   4.834   3.959
  501   3HD2  LEU  48          2HD2      LEU  48   9.523   5.733   2.659
  502    QB   LEU  48           QB       LEU  48  13.352   5.700   3.194
  503    QD1  LEU  48           QD1      LEU  48  11.777   7.207   1.423
  504    QD2  LEU  48           QD2      LEU  48  10.195   5.039   2.969
  505    QQD  LEU  48           QQD      LEU  48  10.986   6.123   2.196
  506    H    GLN  49           HN       GLN  49  15.292   4.910   4.874
  507    HA   GLN  49           HA       GLN  49  15.368   2.145   4.508
  508   1HB   GLN  49          2HB       GLN  49  17.345   3.736   4.501
  509   2HB   GLN  49          3HB       GLN  49  17.309   3.707   6.256
  510   1HG   GLN  49          2HG       GLN  49  17.653   1.254   6.235
  511   2HG   GLN  49          3HG       GLN  49  17.679   1.275   4.475
  512   1HE2  GLN  49          2HE2      GLN  49  21.154   1.812   4.608
  513   2HE2  GLN  49          1HE2      GLN  49  19.870   0.905   3.971
  514    QB   GLN  49           QB       GLN  49  17.327   3.721   5.378
  515    QG   GLN  49           QG       GLN  49  17.666   1.265   5.355
  516    QE2  GLN  49           QE2      GLN  49  20.512   1.358   4.290
  517    H    GLN  50           HN       GLN  50  15.579   3.882   7.576
  518    HA   GLN  50           HA       GLN  50  15.534   1.805   9.432
  519   1HB   GLN  50          2HB       GLN  50  15.562   4.448   9.657
  520   2HB   GLN  50          3HB       GLN  50  13.830   4.266   9.828
  521   1HG   GLN  50          2HG       GLN  50  14.542   4.168  12.043
  522   2HG   GLN  50          3HG       GLN  50  14.429   2.460  11.640
  523   1HE2  GLN  50          2HE2      GLN  50  17.888   3.714  13.015
  524   2HE2  GLN  50          1HE2      GLN  50  16.373   4.396  13.363
  525    QB   GLN  50           QB       GLN  50  14.696   4.357   9.742
  526    QG   GLN  50           QG       GLN  50  14.485   3.314  11.841
  527    QE2  GLN  50           QE2      GLN  50  17.131   4.055  13.189
  528    H    LYS  51           HN       LYS  51  12.924   3.053   7.525
  529    HA   LYS  51           HA       LYS  51  10.799   1.652   8.981
  530   1HB   LYS  51          2HB       LYS  51  10.953   3.410   6.559
  531   2HB   LYS  51          3HB       LYS  51   9.569   2.369   6.674
  532   1HG   LYS  51          2HG       LYS  51   8.994   4.479   7.693
  533   2HG   LYS  51          3HG       LYS  51   9.159   3.303   8.996
  534   1HD   LYS  51          2HD       LYS  51  11.284   4.111   9.626
  535   2HD   LYS  51          3HD       LYS  51  11.519   4.933   8.090
  536   1HE   LYS  51          2HE       LYS  51   9.601   6.455   8.702
  537   2HE   LYS  51          3HE       LYS  51   9.623   5.737  10.312
  538   1HZ   LYS  51          3HZ       LYS  51  12.236   6.441   9.456
  539   2HZ   LYS  51          1HZ       LYS  51  11.223   7.789   9.324
  540   3HZ   LYS  51          2HZ       LYS  51  11.389   7.000  10.831
  541    QB   LYS  51           QB       LYS  51  10.261   2.889   6.616
  542    QG   LYS  51           QG       LYS  51   9.076   3.891   8.344
  543    QD   LYS  51           QD       LYS  51  11.402   4.522   8.858
  544    QE   LYS  51           QE       LYS  51   9.612   6.096   9.507
  545    QZ   LYS  51           QZ       LYS  51  11.616   7.077   9.870
  546    H    ALA  52           HN       ALA  52  12.305   1.327   5.832
  547    HA   ALA  52           HA       ALA  52  10.760  -1.014   5.078
  548   1HB   ALA  52          2HB       ALA  52  11.663   0.562   3.454
  549   2HB   ALA  52          3HB       ALA  52  13.304   0.125   3.901
  550   3HB   ALA  52          1HB       ALA  52  12.254  -1.056   3.124
  551    QB   ALA  52           QB       ALA  52  12.407  -0.123   3.493
  552    H    GLY  53           HN       GLY  53  14.119  -0.623   6.141
  553   1HA   GLY  53          1HA       GLY  53  15.157  -2.408   7.497
  554   2HA   GLY  53          2HA       GLY  53  14.197  -3.591   6.600
  555    QA   GLY  53           QA       GLY  53  14.677  -3.000   7.048
  556    H    LYS  54           HN       LYS  54  14.513  -2.575   4.057
  557    HA   LYS  54           HA       LYS  54  17.257  -3.462   3.450
  558   1HB   LYS  54          2HB       LYS  54  16.450  -3.179   1.046
  559   2HB   LYS  54          3HB       LYS  54  15.503  -4.317   1.991
  560   1HG   LYS  54          2HG       LYS  54  13.777  -2.620   2.377
  561   2HG   LYS  54          3HG       LYS  54  14.751  -1.396   1.580
  562   1HD   LYS  54          2HD       LYS  54  13.910  -3.939   0.156
  563   2HD   LYS  54          3HD       LYS  54  12.857  -2.539   0.208
  564   1HE   LYS  54          2HE       LYS  54  15.704  -2.511  -0.874
  565   2HE   LYS  54          3HE       LYS  54  14.259  -2.624  -1.868
  566   1HZ   LYS  54          1HZ       LYS  54  14.016  -0.448  -0.082
  567   2HZ   LYS  54          2HZ       LYS  54  15.516  -0.354  -0.923
  568   3HZ   LYS  54          3HZ       LYS  54  14.055  -0.441  -1.787
  569    QB   LYS  54           QB       LYS  54  15.976  -3.748   1.519
  570    QG   LYS  54           QG       LYS  54  14.264  -2.008   1.978
  571    QD   LYS  54           QD       LYS  54  13.383  -3.239   0.182
  572    QE   LYS  54           QE       LYS  54  14.981  -2.568  -1.371
  573    QZ   LYS  54           QZ       LYS  54  14.529  -0.415  -0.930
  574    HA   PRO  55           HA       PRO  55  18.687   0.794   2.468
  575   1HB   PRO  55          2HB       PRO  55  19.524   0.377  -0.182
  576   2HB   PRO  55          3HB       PRO  55  20.547   0.179   1.245
  577   1HG   PRO  55          2HG       PRO  55  19.116  -1.918  -0.375
  578   2HG   PRO  55          3HG       PRO  55  20.684  -2.023   0.442
  579   1HD   PRO  55          2HD       PRO  55  18.424  -3.174   1.474
  580   2HD   PRO  55          3HD       PRO  55  19.706  -2.526   2.522
  581    QB   PRO  55           QB       PRO  55  20.035   0.278   0.531
  582    QG   PRO  55           QG       PRO  55  19.900  -1.970   0.033
  583    QD   PRO  55           QD       PRO  55  19.065  -2.850   1.998
  584    H    VAL  56           HN       VAL  56  17.906   2.529   0.939
  585    HA   VAL  56           HA       VAL  56  15.427   1.678  -0.468
  586    HB   VAL  56           HB       VAL  56  14.775   4.177   0.164
  587   1HG1  VAL  56          3HG1      VAL  56  14.674   1.783   2.040
  588   2HG1  VAL  56          1HG1      VAL  56  13.631   3.191   2.165
  589   3HG1  VAL  56          2HG1      VAL  56  13.522   2.146   0.757
  590   1HG2  VAL  56          1HG2      VAL  56  16.947   4.613   1.305
  591   2HG2  VAL  56          2HG2      VAL  56  15.580   4.742   2.409
  592   3HG2  VAL  56          3HG2      VAL  56  16.593   3.304   2.428
  593    QG1  VAL  56           QG1      VAL  56  13.942   2.373   1.654
  594    QG2  VAL  56           QG2      VAL  56  16.374   4.220   2.047
  595    QQG  VAL  56           QQG      VAL  56  15.158   3.297   1.851
  596    H    GLU  57           HN       GLU  57  17.914   1.772  -1.597
  597    HA   GLU  57           HA       GLU  57  19.063   3.747  -2.956
  598   1HB   GLU  57          2HB       GLU  57  18.092   1.811  -4.953
  599   2HB   GLU  57          3HB       GLU  57  19.730   2.125  -4.417
  600   1HG   GLU  57          2HG       GLU  57  19.168  -0.183  -3.863
  601   2HG   GLU  57          3HG       GLU  57  19.286   0.721  -2.363
  602    QB   GLU  57           QB       GLU  57  18.911   1.968  -4.685
  603    QG   GLU  57           QG       GLU  57  19.227   0.269  -3.113
  604    H    THR  58           HN       THR  58  16.104   2.358  -4.306
  605    HA   THR  58           HA       THR  58  15.462   5.030  -5.502
  606    HB   THR  58           HB       THR  58  16.092   3.226  -7.168
  607    HG1  THR  58          1HG       THR  58  14.651   4.217  -8.357
  608   1HG2  THR  58          1HG2      THR  58  15.042   1.271  -5.909
  609   2HG2  THR  58          2HG2      THR  58  13.457   1.963  -6.249
  610   3HG2  THR  58          3HG2      THR  58  14.476   1.409  -7.569
  611    QG2  THR  58           QG2      THR  58  14.325   1.548  -6.576
  612    H    VAL  59           HN       VAL  59  12.869   4.099  -6.352
  613    HA   VAL  59           HA       VAL  59  11.432   3.747  -3.748
  614    HB   VAL  59           HB       VAL  59   9.684   5.334  -4.669
  615   1HG1  VAL  59          3HG1      VAL  59  11.430   6.117  -3.079
  616   2HG1  VAL  59          1HG1      VAL  59  12.484   6.488  -4.441
  617   3HG1  VAL  59          2HG1      VAL  59  10.985   7.382  -4.221
  618   1HG2  VAL  59          1HG2      VAL  59  11.819   5.862  -6.772
  619   2HG2  VAL  59          2HG2      VAL  59  10.263   5.087  -7.063
  620   3HG2  VAL  59          3HG2      VAL  59  10.326   6.777  -6.574
  621    QG1  VAL  59           QG1      VAL  59  11.633   6.662  -3.914
  622    QG2  VAL  59           QG2      VAL  59  10.803   5.908  -6.803
  623    QQG  VAL  59           QQG      VAL  59  11.218   6.285  -5.358
  624    HA   PRO  60           HA       PRO  60   9.361   3.813  -3.326
  625   1HB   PRO  60          2HB       PRO  60   6.690   3.307  -3.366
  626   2HB   PRO  60          3HB       PRO  60   7.407   4.573  -4.368
  627   1HG   PRO  60          2HG       PRO  60   6.331   1.915  -5.199
  628   2HG   PRO  60          3HG       PRO  60   6.527   3.386  -6.157
  629   1HD   PRO  60          2HD       PRO  60   8.311   1.085  -6.039
  630   2HD   PRO  60          3HD       PRO  60   8.476   2.543  -7.044
  631    QB   PRO  60           QB       PRO  60   7.049   3.940  -3.867
  632    QG   PRO  60           QG       PRO  60   6.429   2.650  -5.678
  633    QD   PRO  60           QD       PRO  60   8.393   1.814  -6.542
  634    H    GLN  61           HN       GLN  61   7.664   2.867  -1.517
  635    HA   GLN  61           HA       GLN  61   7.992  -0.089  -1.291
  636   1HB   GLN  61          2HB       GLN  61   9.108   1.980   0.571
  637   2HB   GLN  61          3HB       GLN  61   8.630   0.406   1.209
  638   1HG   GLN  61          2HG       GLN  61  10.169  -0.754  -0.243
  639   2HG   GLN  61          3HG       GLN  61  10.485   0.699  -1.183
  640   1HE2  GLN  61          2HE2      GLN  61  12.056   1.886   2.152
  641   2HE2  GLN  61          1HE2      GLN  61  10.449   2.110   1.677
  642    QB   GLN  61           QB       GLN  61   8.869   1.193   0.890
  643    QG   GLN  61           QG       GLN  61  10.327  -0.027  -0.713
  644    QE2  GLN  61           QE2      GLN  61  11.253   1.998   1.914
  645    H    ILE  62           HN       ILE  62   6.555  -1.078   0.152
  646    HA   ILE  62           HA       ILE  62   4.259   0.620   1.059
  647    HB   ILE  62           HB       ILE  62   4.140  -2.141  -0.218
  648   1HG1  ILE  62          2HG1      ILE  62   2.468  -0.769  -1.717
  649   2HG1  ILE  62          3HG1      ILE  62   3.300   0.635  -1.066
  650   1HG2  ILE  62          2HG2      ILE  62   1.929  -0.485   1.058
  651   2HG2  ILE  62          3HG2      ILE  62   1.667  -1.947   0.118
  652   3HG2  ILE  62          1HG2      ILE  62   2.537  -2.031   1.644
  653   1HD1  ILE  62          2HD1      ILE  62   4.659  -1.687  -2.459
  654   2HD1  ILE  62          3HD1      ILE  62   4.294  -0.132  -3.203
  655   3HD1  ILE  62          1HD1      ILE  62   5.443  -0.228  -1.886
  656    QG1  ILE  62           QG1      ILE  62   2.884  -0.067  -1.391
  657    QG2  ILE  62           QG2      ILE  62   2.044  -1.487   0.940
  658    QD1  ILE  62           QD1      ILE  62   4.799  -0.682  -2.516
  659    H    PHE  63           HN       PHE  63   3.387   0.132   2.940
  660    HA   PHE  63           HA       PHE  63   4.650  -2.032   4.582
  661   1HB   PHE  63          2HB       PHE  63   3.938   0.774   5.522
  662   2HB   PHE  63          3HB       PHE  63   4.667  -0.493   6.507
  663    HD1  PHE  63          2HD       PHE  63   5.247   1.459   3.366
  664    HD2  PHE  63          1HD       PHE  63   7.022  -0.672   6.589
  665    HE1  PHE  63          2HE       PHE  63   7.471   2.061   2.530
  666    HE2  PHE  63          1HE       PHE  63   9.233  -0.066   5.758
  667    HZ   PHE  63           HZ       PHE  63   9.482   1.292   3.729
  668    QB   PHE  63           QB       PHE  63   4.303   0.140   6.015
  669    QR   PHE  63           QR       PHE  63   7.243   0.696   4.561
  670    H    VAL  64           HN       VAL  64   3.324  -2.909   6.194
  671    HA   VAL  64           HA       VAL  64   0.393  -2.346   5.883
  672    HB   VAL  64           HB       VAL  64   1.850  -5.004   6.203
  673   1HG1  VAL  64          3HG1      VAL  64  -1.145  -4.471   6.340
  674   2HG1  VAL  64          1HG1      VAL  64  -0.389  -6.057   6.312
  675   3HG1  VAL  64          2HG1      VAL  64  -0.135  -4.996   7.686
  676   1HG2  VAL  64          1HG2      VAL  64   1.587  -4.033   3.899
  677   2HG2  VAL  64          2HG2      VAL  64   0.705  -5.542   4.093
  678   3HG2  VAL  64          3HG2      VAL  64  -0.155  -4.006   4.137
  679    QG1  VAL  64           QG1      VAL  64  -0.556  -5.175   6.779
  680    QG2  VAL  64           QG2      VAL  64   0.712  -4.527   4.043
  681    QQG  VAL  64           QQG      VAL  64   0.078  -4.851   5.411
  682    H    ASP  65           HN       ASP  65  -0.485  -1.691   7.745
  683    HA   ASP  65           HA       ASP  65  -0.684  -1.192  10.028
  684   1HB   ASP  65          2HB       ASP  65  -1.103  -3.542  10.326
  685   2HB   ASP  65          3HB       ASP  65   0.589  -3.942  10.105
  686    QB   ASP  65           QB       ASP  65  -0.257  -3.742  10.215
  687    H    GLN  66           HN       GLN  66   2.145  -2.939  10.757
  688    HA   GLN  66           HA       GLN  66   3.781  -0.453  10.759
  689   1HB   GLN  66          2HB       GLN  66   3.737  -2.575  12.932
  690   2HB   GLN  66          3HB       GLN  66   4.704  -1.102  12.946
  691   1HG   GLN  66          2HG       GLN  66   2.586   0.241  12.851
  692   2HG   GLN  66          3HG       GLN  66   1.663  -1.255  12.951
  693   1HE2  GLN  66          2HE2      GLN  66   1.938  -1.356  16.446
  694   2HE2  GLN  66          1HE2      GLN  66   1.092  -1.826  15.044
  695    QB   GLN  66           QB       GLN  66   4.220  -1.839  12.939
  696    QG   GLN  66           QG       GLN  66   2.125  -0.507  12.901
  697    QE2  GLN  66           QE2      GLN  66   1.515  -1.591  15.745
  698    H    GLN  67           HN       GLN  67   3.541  -3.405   9.424
  699    HA   GLN  67           HA       GLN  67   6.397  -4.138   9.579
  700   1HB   GLN  67          2HB       GLN  67   4.232  -5.549   8.005
  701   2HB   GLN  67          3HB       GLN  67   5.694  -6.212   8.679
  702   1HG   GLN  67          2HG       GLN  67   4.636  -6.794  10.576
  703   2HG   GLN  67          3HG       GLN  67   4.093  -5.142  10.832
  704   1HE2  GLN  67          2HE2      GLN  67   0.796  -6.147  10.133
  705   2HE2  GLN  67          1HE2      GLN  67   1.839  -5.266  11.145
  706    QB   GLN  67           QB       GLN  67   4.963  -5.881   8.342
  707    QG   GLN  67           QG       GLN  67   4.365  -5.968  10.704
  708    QE2  GLN  67           QE2      GLN  67   1.317  -5.706  10.639
  709    H    HIS  68           HN       HIS  68   7.399  -4.765   7.453
  710    HA   HIS  68           HA       HIS  68   6.620  -2.818   5.316
  711   1HB   HIS  68          2HB       HIS  68   8.916  -2.585   6.266
  712   2HB   HIS  68          3HB       HIS  68   9.256  -4.235   5.815
  713    HD1  HIS  68           HD1      HIS  68  11.087  -3.533   4.232
  714    HD2  HIS  68           HD2      HIS  68   7.510  -1.789   3.204
  715    HE1  HIS  68           HE1      HIS  68  11.328  -2.747   1.848
  716    QB   HIS  68           QB       HIS  68   9.086  -3.410   6.040
  717    H    ILE  69           HN       ILE  69   6.164  -3.637   3.273
  718    HA   ILE  69           HA       ILE  69   6.039  -6.614   3.101
  719    HB   ILE  69           HB       ILE  69   4.744  -4.522   1.307
  720   1HG1  ILE  69          2HG1      ILE  69   3.740  -4.245   3.472
  721   2HG1  ILE  69          3HG1      ILE  69   2.625  -5.202   2.511
  722   1HG2  ILE  69          2HG2      ILE  69   4.275  -7.507   1.623
  723   2HG2  ILE  69          3HG2      ILE  69   3.332  -6.436   0.595
  724   3HG2  ILE  69          1HG2      ILE  69   5.032  -6.717   0.246
  725   1HD1  ILE  69          1HD1      ILE  69   3.489  -7.270   3.588
  726   2HD1  ILE  69          2HD1      ILE  69   4.571  -6.301   4.575
  727   3HD1  ILE  69          3HD1      ILE  69   2.833  -6.157   4.770
  728    QG1  ILE  69           QG1      ILE  69   3.183  -4.723   2.992
  729    QG2  ILE  69           QG2      ILE  69   4.213  -6.887   0.821
  730    QD1  ILE  69           QD1      ILE  69   3.631  -6.576   4.311
  731    H    GLY  70           HN       GLY  70   7.070  -3.744   1.390
  732   1HA   GLY  70          1HA       GLY  70   9.478  -4.221   0.428
  733   2HA   GLY  70          2HA       GLY  70   8.611  -5.429  -0.529
  734    QA   GLY  70           QA       GLY  70   9.044  -4.825  -0.051
  735    H    GLY  71           HN       GLY  71   8.461  -4.605  -2.546
  736   1HA   GLY  71          1HA       GLY  71   7.585  -1.746  -2.814
  737   2HA   GLY  71          2HA       GLY  71   8.610  -2.566  -3.987
  738    QA   GLY  71           QA       GLY  71   8.098  -2.156  -3.400
  739    OH   TYR  72           OH       TYR  72   0.567  -3.069 -10.563
  740    H    TYR  72           HN       TYR  72   6.663  -1.594  -5.270
  741    HA   TYR  72           HA       TYR  72   4.076  -2.370  -5.392
  742   1HB   TYR  72          2HB       TYR  72   5.238  -1.106  -7.187
  743   2HB   TYR  72          3HB       TYR  72   5.992  -2.585  -7.752
  744    HD1  TYR  72           HD2      TYR  72   2.590  -3.035  -6.552
  745    HD2  TYR  72           HD1      TYR  72   4.907  -1.955  -9.968
  746    HE1  TYR  72           HE2      TYR  72   0.657  -3.418  -7.982
  747    HE2  TYR  72           HE1      TYR  72   2.938  -2.295 -11.383
  748    HH   TYR  72           HH       TYR  72   0.851  -3.491 -11.377
  749    QB   TYR  72           QB       TYR  72   5.615  -1.845  -7.470
  750    QR   TYR  72           QR       TYR  72   2.773  -2.676  -8.971
  751    H    THR  73           HN       THR  73   6.675  -4.416  -6.639
  752    HA   THR  73           HA       THR  73   5.282  -6.695  -7.427
  753    HB   THR  73           HB       THR  73   7.632  -7.762  -6.450
  754    HG1  THR  73          1HG       THR  73   8.512  -6.073  -5.394
  755   1HG2  THR  73          2HG2      THR  73   7.544  -5.674  -8.683
  756   2HG2  THR  73          3HG2      THR  73   8.762  -6.931  -8.492
  757   3HG2  THR  73          1HG2      THR  73   7.107  -7.366  -8.909
  758    QG2  THR  73           QG2      THR  73   7.804  -6.657  -8.695
  759    H    ASP  74           HN       ASP  74   6.985  -6.449  -4.396
  760    HA   ASP  74           HA       ASP  74   5.925  -8.673  -3.079
  761   1HB   ASP  74          2HB       ASP  74   6.706  -6.049  -1.774
  762   2HB   ASP  74          3HB       ASP  74   6.823  -7.665  -1.078
  763    QB   ASP  74           QB       ASP  74   6.765  -6.857  -1.426
  764    H    PHE  75           HN       PHE  75   4.643  -5.375  -3.230
  765    HA   PHE  75           HA       PHE  75   2.517  -5.827  -1.349
  766   1HB   PHE  75          2HB       PHE  75   3.150  -3.536  -2.062
  767   2HB   PHE  75          3HB       PHE  75   2.556  -3.877  -3.685
  768    HD1  PHE  75          2HD       PHE  75   1.249  -4.426  -0.190
  769    HD2  PHE  75          1HD       PHE  75   0.442  -2.907  -4.092
  770    HE1  PHE  75          2HE       PHE  75  -1.034  -3.869   0.499
  771    HE2  PHE  75          1HE       PHE  75  -1.834  -2.320  -3.383
  772    HZ   PHE  75           HZ       PHE  75  -2.585  -2.816  -1.099
  773    QB   PHE  75           QB       PHE  75   2.853  -3.706  -2.874
  774    QR   PHE  75           QR       PHE  75  -0.294  -3.380  -1.792
  775    H    ALA  76           HN       ALA  76   2.511  -5.965  -4.910
  776    HA   ALA  76           HA       ALA  76  -0.221  -6.738  -5.179
  777   1HB   ALA  76          1HB       ALA  76   1.175  -6.070  -7.112
  778   2HB   ALA  76          2HB       ALA  76   2.135  -7.534  -6.927
  779   3HB   ALA  76          3HB       ALA  76   0.439  -7.643  -7.392
  780    QB   ALA  76           QB       ALA  76   1.250  -7.082  -7.144
  781    H    ALA  77           HN       ALA  77   2.716  -8.708  -4.939
  782    HA   ALA  77           HA       ALA  77   1.347 -11.239  -4.982
  783   1HB   ALA  77          3HB       ALA  77   4.009 -10.526  -3.675
  784   2HB   ALA  77          1HB       ALA  77   3.446 -12.159  -4.023
  785   3HB   ALA  77          2HB       ALA  77   3.801 -11.049  -5.342
  786    QB   ALA  77           QB       ALA  77   3.752 -11.245  -4.347
  787    CH2  TRP  78           CH2      TRP  78  -1.306  -7.121   3.923
  788    H    TRP  78           HN       TRP  78   2.738  -9.448  -2.257
  789    HA   TRP  78           HA       TRP  78   1.875 -10.980  -0.101
  790   1HB   TRP  78          2HB       TRP  78   3.187  -8.891   0.119
  791   2HB   TRP  78          3HB       TRP  78   1.780  -7.958  -0.296
  792    HD1  TRP  78           HD1      TRP  78   3.254  -9.991   2.638
  793    HE1  TRP  78           HE1      TRP  78   2.004  -9.465   4.742
  794    HE3  TRP  78           HE3      TRP  78  -0.365  -7.160   0.655
  795    HZ2  TRP  78           HZ2      TRP  78  -0.284  -8.085   5.531
  796    HZ3  TRP  78           HZ3      TRP  78  -2.117  -6.251   2.154
  797    HH2  TRP  78           HH2      TRP  78  -2.077  -6.715   4.560
  798    QB   TRP  78           QB       TRP  78   2.483  -8.424  -0.088
  799    H    VAL  79           HN       VAL  79   0.079  -8.406  -1.743
  800    HA   VAL  79           HA       VAL  79  -2.369  -8.629  -0.388
  801    HB   VAL  79           HB       VAL  79  -1.670  -7.933  -3.258
  802   1HG1  VAL  79          3HG1      VAL  79  -4.452  -7.920  -2.026
  803   2HG1  VAL  79          1HG1      VAL  79  -4.034  -7.213  -3.579
  804   3HG1  VAL  79          2HG1      VAL  79  -3.921  -8.949  -3.348
  805   1HG2  VAL  79          2HG2      VAL  79  -2.783  -6.304  -0.948
  806   2HG2  VAL  79          3HG2      VAL  79  -1.117  -6.289  -1.507
  807   3HG2  VAL  79          1HG2      VAL  79  -2.400  -5.675  -2.545
  808    QG1  VAL  79           QG1      VAL  79  -4.136  -8.027  -2.984
  809    QG2  VAL  79           QG2      VAL  79  -2.100  -6.089  -1.667
  810    QQG  VAL  79           QQG      VAL  79  -3.118  -7.058  -2.326
  811    H    LYS  80           HN       LYS  80  -1.594 -10.091  -3.522
  812    HA   LYS  80           HA       LYS  80  -3.783 -11.809  -3.721
  813   1HB   LYS  80          2HB       LYS  80  -2.233 -11.451  -5.572
  814   2HB   LYS  80          3HB       LYS  80  -0.933 -12.215  -4.675
  815   1HG   LYS  80          2HG       LYS  80  -1.841 -13.778  -6.333
  816   2HG   LYS  80          3HG       LYS  80  -2.150 -14.374  -4.716
  817   1HD   LYS  80          2HD       LYS  80  -4.485 -13.214  -4.948
  818   2HD   LYS  80          3HD       LYS  80  -4.107 -13.118  -6.663
  819   1HE   LYS  80          2HE       LYS  80  -5.354 -15.160  -6.295
  820   2HE   LYS  80          3HE       LYS  80  -3.685 -15.611  -6.635
  821   1HZ   LYS  80          1HZ       LYS  80  -3.997 -15.168  -3.862
  822   2HZ   LYS  80          2HZ       LYS  80  -5.217 -16.223  -4.380
  823   3HZ   LYS  80          3HZ       LYS  80  -3.580 -16.609  -4.651
  824    QB   LYS  80           QB       LYS  80  -1.583 -11.833  -5.123
  825    QG   LYS  80           QG       LYS  80  -1.995 -14.076  -5.524
  826    QD   LYS  80           QD       LYS  80  -4.296 -13.166  -5.806
  827    QE   LYS  80           QE       LYS  80  -4.520 -15.386  -6.465
  828    QZ   LYS  80           QZ       LYS  80  -4.265 -16.000  -4.298
  829    H    GLU  81           HN       GLU  81  -0.921 -12.390  -1.767
  830    HA   GLU  81           HA       GLU  81  -1.926 -15.146  -1.197
  831   1HB   GLU  81          2HB       GLU  81   0.749 -13.877  -0.524
  832   2HB   GLU  81          3HB       GLU  81   0.342 -15.581  -0.381
  833   1HG   GLU  81          2HG       GLU  81   0.152 -15.837  -2.768
  834   2HG   GLU  81          3HG       GLU  81   0.132 -14.098  -3.030
  835    QB   GLU  81           QB       GLU  81   0.546 -14.729  -0.453
  836    QG   GLU  81           QG       GLU  81   0.142 -14.967  -2.899
  837    H    ASN  82           HN       ASN  82  -2.497 -12.272   0.121
  838    HA   ASN  82           HA       ASN  82  -2.624 -13.422   2.893
  839   1HB   ASN  82          2HB       ASN  82  -1.759 -10.644   2.050
  840   2HB   ASN  82          3HB       ASN  82  -2.351 -10.975   3.672
  841   1HD2  ASN  82          2HD2      ASN  82   1.210 -12.607   2.477
  842   2HD2  ASN  82          1HD2      ASN  82   0.100 -12.046   1.319
  843    QB   ASN  82           QB       ASN  82  -2.055 -10.809   2.861
  844    QD2  ASN  82           QD2      ASN  82   0.655 -12.327   1.898
  845    H    LEU  83           HN       LEU  83  -4.016 -11.298   0.497
  846    HA   LEU  83           HA       LEU  83  -6.485 -11.056   2.164
  847   1HB   LEU  83          2HB       LEU  83  -5.801  -9.497  -0.337
  848   2HB   LEU  83          3HB       LEU  83  -6.991  -9.088   0.890
  849    HG   LEU  83           HG       LEU  83  -3.975  -9.187   1.322
  850   1HD1  LEU  83          3HD1      LEU  83  -5.887  -6.839   1.150
  851   2HD1  LEU  83          1HD1      LEU  83  -4.169  -6.744   1.534
  852   3HD1  LEU  83          2HD1      LEU  83  -4.685  -7.283  -0.059
  853   1HD2  LEU  83          1HD2      LEU  83  -6.223  -8.311   3.176
  854   2HD2  LEU  83          2HD2      LEU  83  -5.219  -9.744   3.379
  855   3HD2  LEU  83          3HD2      LEU  83  -4.507  -8.143   3.516
  856    QB   LEU  83           QB       LEU  83  -6.396  -9.292   0.277
  857    QD1  LEU  83           QD1      LEU  83  -4.914  -6.956   0.875
  858    QD2  LEU  83           QD2      LEU  83  -5.317  -8.733   3.357
  859    QQD  LEU  83           QQD      LEU  83  -5.115  -7.844   2.116
  860    H    ASP  84           HN       ASP  84  -5.577 -13.333   0.487
  861    HA   ASP  84           HA       ASP  84  -7.421 -13.391  -1.789
  862   1HB   ASP  84          2HB       ASP  84  -5.064 -14.629  -1.351
  863   2HB   ASP  84          3HB       ASP  84  -6.111 -15.873  -0.694
  864    QB   ASP  84           QB       ASP  84  -5.587 -15.251  -1.023
  865    H    ALA  85           HN       ALA  85  -8.971 -12.784   0.257
  866    HA   ALA  85           HA       ALA  85 -10.358 -15.326   0.988
  867   1HB   ALA  85          2HB       ALA  85  -9.204 -14.318   2.958
  868   2HB   ALA  85          3HB       ALA  85 -10.083 -12.815   2.691
  869   3HB   ALA  85          1HB       ALA  85 -10.954 -14.273   3.149
  870    QB   ALA  85           QB       ALA  85 -10.080 -13.802   2.933
   
  Start of MODEL           3
 Raw file had 870 H/Q atoms
  Start of MODEL    3
    1    H    MET   1           HN       MET   1  -7.076  -5.182   7.568
    2    HA   MET   1           HA       MET   1  -6.296  -3.420   9.644
    3   1HB   MET   1          2HB       MET   1  -4.565  -4.744   7.512
    4   2HB   MET   1          3HB       MET   1  -3.964  -4.012   8.987
    5   1HG   MET   1          2HG       MET   1  -5.441  -5.631  10.267
    6   2HG   MET   1          3HG       MET   1  -5.714  -6.466   8.757
    7   1HE   MET   1          3HE       MET   1  -3.745  -6.892   7.213
    8   2HE   MET   1          1HE       MET   1  -2.252  -6.087   7.712
    9   3HE   MET   1          2HE       MET   1  -2.374  -7.849   7.750
   10    QB   MET   1           QB       MET   1  -4.265  -4.378   8.249
   11    QG   MET   1           QG       MET   1  -5.578  -6.049   9.512
   12    QE   MET   1           QE       MET   1  -2.790  -6.943   7.558
   13    H    GLN   2           HN       GLN   2  -4.042  -2.151   8.909
   14    HA   GLN   2           HA       GLN   2  -4.988  -0.090   7.023
   15   1HB   GLN   2          2HB       GLN   2  -3.896  -0.014   9.676
   16   2HB   GLN   2          3HB       GLN   2  -2.724   0.735   8.606
   17   1HG   GLN   2          2HG       GLN   2  -5.638   1.474   8.371
   18   2HG   GLN   2          3HG       GLN   2  -4.641   2.196   9.626
   19   1HE2  GLN   2          2HE2      GLN   2  -3.240   4.474   7.375
   20   2HE2  GLN   2          1HE2      GLN   2  -3.632   4.073   8.976
   21    QB   GLN   2           QB       GLN   2  -3.310   0.360   9.141
   22    QG   GLN   2           QG       GLN   2  -5.139   1.835   8.999
   23    QE2  GLN   2           QE2      GLN   2  -3.436   4.273   8.175
   24    H    THR   3           HN       THR   3  -3.364   0.845   5.589
   25    HA   THR   3           HA       THR   3  -0.899  -0.744   5.198
   26    HB   THR   3           HB       THR   3  -2.743  -0.242   2.824
   27    HG1  THR   3          1HG       THR   3  -4.024  -1.415   4.176
   28   1HG2  THR   3          1HG2      THR   3  -0.816  -2.514   3.524
   29   2HG2  THR   3          2HG2      THR   3  -1.643  -2.285   1.984
   30   3HG2  THR   3          3HG2      THR   3  -0.381  -1.162   2.476
   31    QG2  THR   3           QG2      THR   3  -0.947  -1.987   2.661
   32    H    VAL   4           HN       VAL   4   0.762   0.540   4.182
   33    HA   VAL   4           HA       VAL   4  -0.051   3.379   3.644
   34    HB   VAL   4           HB       VAL   4   2.516   2.578   5.039
   35   1HG1  VAL   4          1HG1      VAL   4   1.024   5.219   4.784
   36   2HG1  VAL   4          2HG1      VAL   4   2.507   4.975   5.703
   37   3HG1  VAL   4          3HG1      VAL   4   2.516   4.789   3.954
   38   1HG2  VAL   4          1HG2      VAL   4   0.596   1.887   6.453
   39   2HG2  VAL   4          2HG2      VAL   4   1.439   3.260   7.163
   40   3HG2  VAL   4          3HG2      VAL   4  -0.086   3.503   6.316
   41    QG1  VAL   4           QG1      VAL   4   2.016   4.994   4.814
   42    QG2  VAL   4           QG2      VAL   4   0.650   2.883   6.644
   43    QQG  VAL   4           QQG      VAL   4   1.333   3.939   5.729
   44    H    ILE   5           HN       ILE   5   0.568   4.109   1.713
   45    HA   ILE   5           HA       ILE   5   2.828   2.714   0.308
   46    HB   ILE   5           HB       ILE   5   0.517   4.375  -0.813
   47   1HG1  ILE   5          2HG1      ILE   5   0.010   2.370  -2.146
   48   2HG1  ILE   5          3HG1      ILE   5   1.291   1.500  -1.325
   49   1HG2  ILE   5          3HG2      ILE   5   2.860   3.096  -2.285
   50   2HG2  ILE   5          1HG2      ILE   5   1.482   3.889  -3.049
   51   3HG2  ILE   5          2HG2      ILE   5   2.610   4.824  -2.074
   52   1HD1  ILE   5          1HD1      ILE   5  -1.128   2.714   0.069
   53   2HD1  ILE   5          2HD1      ILE   5  -0.978   1.013  -0.364
   54   3HD1  ILE   5          3HD1      ILE   5   0.105   1.711   0.827
   55    QG1  ILE   5           QG1      ILE   5   0.650   1.935  -1.735
   56    QG2  ILE   5           QG2      ILE   5   2.317   3.936  -2.469
   57    QD1  ILE   5           QD1      ILE   5  -0.667   1.813   0.177
   58    H    PHE   6           HN       PHE   6   4.661   3.892  -0.054
   59    HA   PHE   6           HA       PHE   6   4.529   6.850   0.445
   60   1HB   PHE   6          2HB       PHE   6   6.902   4.943   0.634
   61   2HB   PHE   6          3HB       PHE   6   6.989   6.685   0.876
   62    HD1  PHE   6          2HD       PHE   6   5.301   3.622   2.195
   63    HD2  PHE   6          1HD       PHE   6   6.583   7.602   3.041
   64    HE1  PHE   6          2HE       PHE   6   4.737   3.306   4.563
   65    HE2  PHE   6          1HE       PHE   6   6.010   7.280   5.399
   66    HZ   PHE   6           HZ       PHE   6   5.106   5.129   6.173
   67    QB   PHE   6           QB       PHE   6   6.945   5.814   0.755
   68    QR   PHE   6           QR       PHE   6   5.658   5.453   3.799
   69    H    GLY   7           HN       GLY   7   4.407   7.826  -1.511
   70   1HA   GLY   7          1HA       GLY   7   6.119   6.714  -3.700
   71   2HA   GLY   7          2HA       GLY   7   4.470   7.218  -4.006
   72    QA   GLY   7           QA       GLY   7   5.295   6.966  -3.853
   73    NH1  ARG   8           NH2      ARG   8  11.685  10.650  -5.144
   74    NH2  ARG   8           NH1      ARG   8  12.415  10.384  -7.305
   75    H    ARG   8           HN       ARG   8   4.832   8.778  -5.407
   76    HA   ARG   8           HA       ARG   8   6.305  11.221  -4.491
   77   1HB   ARG   8          2HB       ARG   8   7.082   9.463  -6.614
   78   2HB   ARG   8          3HB       ARG   8   6.479  10.931  -7.371
   79   1HG   ARG   8          2HG       ARG   8   8.046  12.308  -6.152
   80   2HG   ARG   8          3HG       ARG   8   8.514  10.959  -5.118
   81   1HD   ARG   8          2HD       ARG   8   9.435   9.756  -7.090
   82   2HD   ARG   8          3HD       ARG   8   8.957  11.094  -8.138
   83    HE   ARG   8           HE       ARG   8  10.630  12.518  -6.945
   84   1HH1  ARG   8          2HH2      ARG   8  11.001  11.038  -4.524
   85   2HH1  ARG   8          1HH2      ARG   8  12.441  10.116  -4.773
   86   1HH2  ARG   8          2HH1      ARG   8  12.271  10.591  -8.274
   87   2HH2  ARG   8          1HH1      ARG   8  13.194   9.817  -7.031
   88    QB   ARG   8           QB       ARG   8   6.781  10.197  -6.992
   89    QG   ARG   8           QG       ARG   8   8.280  11.633  -5.635
   90    QD   ARG   8           QD       ARG   8   9.196  10.425  -7.614
   91    QH1  ARG   8           QH2      ARG   8  11.721  10.577  -4.649
   92    QH2  ARG   8           QH1      ARG   8  12.733  10.204  -7.652
   93    H    SER   9           HN       SER   9   5.774  12.871  -6.643
   94    HA   SER   9           HA       SER   9   2.875  13.312  -6.333
   95   1HB   SER   9          2HB       SER   9   4.935  14.944  -7.887
   96   2HB   SER   9          3HB       SER   9   3.299  15.467  -7.449
   97    HG   SER   9           HG       SER   9   4.674  14.424  -5.327
   98    QB   SER   9           QB       SER   9   4.117  15.206  -7.668
   99    H    GLY  10           HN       GLY  10   2.702  11.139  -7.631
  100   1HA   GLY  10          1HA       GLY  10   1.369  10.568  -9.600
  101   2HA   GLY  10          2HA       GLY  10   2.070  11.946 -10.442
  102    QA   GLY  10           QA       GLY  10   1.719  11.257 -10.021
  103    H    CYS  11           HN       CYS  11   3.379   9.182  -8.674
  104    HA   CYS  11           HA       CYS  11   5.246   8.686 -10.946
  105   1HB   CYS  11          2HB       CYS  11   6.170   9.151  -8.660
  106   2HB   CYS  11          3HB       CYS  11   5.367   7.717  -8.081
  107    HG   CYS  11           HG       CYS  11   7.994   7.781  -9.643
  108    QB   CYS  11           QB       CYS  11   5.769   8.434  -8.371
  109    HA   PRO  12           HA       PRO  12   1.756   6.115 -11.764
  110   1HB   PRO  12          2HB       PRO  12   3.078   4.410 -13.638
  111   2HB   PRO  12          3HB       PRO  12   2.093   5.832 -13.983
  112   1HG   PRO  12          2HG       PRO  12   5.063   5.572 -13.896
  113   2HG   PRO  12          3HG       PRO  12   4.074   6.739 -14.783
  114   1HD   PRO  12          2HD       PRO  12   5.517   7.391 -12.530
  115   2HD   PRO  12          3HD       PRO  12   4.022   8.241 -12.986
  116    QB   PRO  12           QB       PRO  12   2.586   5.121 -13.811
  117    QG   PRO  12           QG       PRO  12   4.569   6.156 -14.339
  118    QD   PRO  12           QD       PRO  12   4.770   7.816 -12.758
  119    OH   TYR  13           OH       TYR  13   8.387   3.815 -14.482
  120    H    TYR  13           HN       TYR  13   4.723   4.779 -10.680
  121    HA   TYR  13           HA       TYR  13   3.866   2.027 -10.436
  122   1HB   TYR  13          2HB       TYR  13   6.031   3.425  -8.843
  123   2HB   TYR  13          3HB       TYR  13   5.932   1.707  -9.229
  124    HD1  TYR  13           HD1      TYR  13   5.704   1.244 -11.898
  125    HD2  TYR  13           HD2      TYR  13   7.422   4.735 -10.175
  126    HE1  TYR  13           HE1      TYR  13   6.840   1.738 -14.013
  127    HE2  TYR  13           HE2      TYR  13   8.540   5.229 -12.289
  128    HH   TYR  13           HH       TYR  13   9.040   3.133 -14.651
  129    QB   TYR  13           QB       TYR  13   5.982   2.566  -9.036
  130    QR   TYR  13           QR       TYR  13   7.126   3.237 -12.094
  131    H    CYS  14           HN       CYS  14   3.600   4.830  -8.278
  132    HA   CYS  14           HA       CYS  14   2.782   3.059  -6.043
  133   1HB   CYS  14          2HB       CYS  14   2.179   5.972  -5.944
  134   2HB   CYS  14          3HB       CYS  14   2.734   4.895  -4.688
  135    HG   CYS  14           HG       CYS  14   5.061   5.525  -5.120
  136    QB   CYS  14           QB       CYS  14   2.457   5.433  -5.316
  137    H    VAL  15           HN       VAL  15   1.449   5.070  -8.544
  138    HA   VAL  15           HA       VAL  15  -1.239   5.305  -7.793
  139    HB   VAL  15           HB       VAL  15  -0.250   4.568 -10.585
  140   1HG1  VAL  15          3HG1      VAL  15  -2.714   4.413 -10.286
  141   2HG1  VAL  15          1HG1      VAL  15  -2.731   6.055  -9.651
  142   3HG1  VAL  15          2HG1      VAL  15  -2.286   5.767 -11.329
  143   1HG2  VAL  15          2HG2      VAL  15  -0.586   7.289  -9.265
  144   2HG2  VAL  15          3HG2      VAL  15   0.952   6.536  -9.662
  145   3HG2  VAL  15          1HG2      VAL  15  -0.145   7.017 -10.948
  146    QG1  VAL  15           QG1      VAL  15  -2.577   5.412 -10.422
  147    QG2  VAL  15           QG2      VAL  15   0.074   6.948  -9.959
  148    QQG  VAL  15           QQG      VAL  15  -1.252   6.180 -10.190
  149    NH1  ARG  16           NH2      ARG  16  -3.526  -0.621 -10.538
  150    NH2  ARG  16           NH1      ARG  16  -4.641   1.068 -11.549
  151    H    ARG  16           HN       ARG  16   0.272   2.576  -9.507
  152    HA   ARG  16           HA       ARG  16  -2.018   0.918  -9.554
  153   1HB   ARG  16          2HB       ARG  16   0.894   0.106  -9.404
  154   2HB   ARG  16          3HB       ARG  16  -0.408  -1.002  -9.786
  155   1HG   ARG  16          2HG       ARG  16   0.175   1.506 -11.402
  156   2HG   ARG  16          3HG       ARG  16   0.840  -0.068 -11.794
  157   1HD   ARG  16          2HD       ARG  16  -1.118   0.229 -13.168
  158   2HD   ARG  16          3HD       ARG  16  -1.547  -0.950 -11.935
  159    HE   ARG  16           HE       ARG  16  -2.276   1.953 -11.688
  160   1HH1  ARG  16          2HH2      ARG  16  -2.659  -1.054 -10.299
  161   2HH1  ARG  16          1HH2      ARG  16  -4.398  -1.016 -10.215
  162   1HH2  ARG  16          2HH1      ARG  16  -4.626   1.887 -12.119
  163   2HH2  ARG  16          1HH1      ARG  16  -5.518   0.713 -11.197
  164    QB   ARG  16           QB       ARG  16   0.243  -0.448  -9.595
  165    QG   ARG  16           QG       ARG  16   0.507   0.719 -11.598
  166    QD   ARG  16           QD       ARG  16  -1.333  -0.360 -12.551
  167    QH1  ARG  16           QH2      ARG  16  -3.529  -1.035 -10.257
  168    QH2  ARG  16           QH1      ARG  16  -5.072   1.300 -11.658
  169    H    ALA  17           HN       ALA  17   0.593   0.888  -7.130
  170    HA   ALA  17           HA       ALA  17  -0.562  -1.087  -5.456
  171   1HB   ALA  17          3HB       ALA  17   1.683  -0.117  -5.021
  172   2HB   ALA  17          1HB       ALA  17   0.935   1.412  -4.566
  173   3HB   ALA  17          2HB       ALA  17   0.668  -0.030  -3.586
  174    QB   ALA  17           QB       ALA  17   1.096   0.421  -4.391
  175    H    LYS  18           HN       LYS  18  -0.958   2.434  -5.394
  176    HA   LYS  18           HA       LYS  18  -2.889   2.738  -3.409
  177   1HB   LYS  18          2HB       LYS  18  -1.727   4.439  -5.135
  178   2HB   LYS  18          3HB       LYS  18  -3.249   4.266  -5.981
  179   1HG   LYS  18          2HG       LYS  18  -2.866   5.183  -3.102
  180   2HG   LYS  18          3HG       LYS  18  -3.322   6.197  -4.452
  181   1HD   LYS  18          2HD       LYS  18  -4.991   3.920  -3.312
  182   2HD   LYS  18          3HD       LYS  18  -5.276   5.631  -3.061
  183   1HE   LYS  18          2HE       LYS  18  -5.592   5.906  -5.535
  184   2HE   LYS  18          3HE       LYS  18  -5.447   4.160  -5.708
  185   1HZ   LYS  18          3HZ       LYS  18  -7.296   4.713  -3.653
  186   2HZ   LYS  18          1HZ       LYS  18  -7.745   5.594  -5.038
  187   3HZ   LYS  18          2HZ       LYS  18  -7.567   3.927  -5.139
  188    QB   LYS  18           QB       LYS  18  -2.488   4.352  -5.558
  189    QG   LYS  18           QG       LYS  18  -3.094   5.690  -3.777
  190    QD   LYS  18           QD       LYS  18  -5.134   4.776  -3.187
  191    QE   LYS  18           QE       LYS  18  -5.520   5.033  -5.621
  192    QZ   LYS  18           QZ       LYS  18  -7.536   4.744  -4.610
  193    H    ASP  19           HN       ASP  19  -3.595   2.341  -6.896
  194    HA   ASP  19           HA       ASP  19  -6.387   2.031  -6.698
  195   1HB   ASP  19          2HB       ASP  19  -5.415   2.197  -8.886
  196   2HB   ASP  19          3HB       ASP  19  -4.424   0.768  -8.625
  197    QB   ASP  19           QB       ASP  19  -4.919   1.482  -8.756
  198    H    LEU  20           HN       LEU  20  -3.960  -0.563  -6.685
  199    HA   LEU  20           HA       LEU  20  -5.672  -2.751  -6.273
  200   1HB   LEU  20          2HB       LEU  20  -3.340  -3.135  -6.705
  201   2HB   LEU  20          3HB       LEU  20  -2.851  -2.204  -5.301
  202    HG   LEU  20           HG       LEU  20  -3.712  -3.928  -3.787
  203   1HD1  LEU  20          2HD1      LEU  20  -4.659  -5.315  -6.329
  204   2HD1  LEU  20          3HD1      LEU  20  -4.694  -6.033  -4.723
  205   3HD1  LEU  20          1HD1      LEU  20  -5.696  -4.635  -5.077
  206   1HD2  LEU  20          2HD2      LEU  20  -1.440  -4.252  -4.740
  207   2HD2  LEU  20          3HD2      LEU  20  -2.222  -5.800  -4.439
  208   3HD2  LEU  20          1HD2      LEU  20  -2.132  -5.159  -6.078
  209    QB   LEU  20           QB       LEU  20  -3.096  -2.669  -6.003
  210    QD1  LEU  20           QD1      LEU  20  -5.017  -5.328  -5.376
  211    QD2  LEU  20           QD2      LEU  20  -1.931  -5.070  -5.086
  212    QQD  LEU  20           QQD      LEU  20  -3.474  -5.199  -5.231
  213    H    ALA  21           HN       ALA  21  -3.872  -1.033  -3.744
  214    HA   ALA  21           HA       ALA  21  -5.104  -2.190  -1.498
  215   1HB   ALA  21          2HB       ALA  21  -4.177   0.689  -1.867
  216   2HB   ALA  21          3HB       ALA  21  -4.511  -0.071  -0.313
  217   3HB   ALA  21          1HB       ALA  21  -3.184  -0.652  -1.306
  218    QB   ALA  21           QB       ALA  21  -3.957  -0.011  -1.162
  219    H    GLU  22           HN       GLU  22  -6.043   0.681  -3.304
  220    HA   GLU  22           HA       GLU  22  -8.386   1.386  -1.925
  221   1HB   GLU  22          2HB       GLU  22  -7.352   2.723  -3.727
  222   2HB   GLU  22          3HB       GLU  22  -7.887   1.545  -4.911
  223   1HG   GLU  22          2HG       GLU  22 -10.278   1.955  -3.962
  224   2HG   GLU  22          3HG       GLU  22  -9.587   3.393  -3.229
  225    QB   GLU  22           QB       GLU  22  -7.619   2.134  -4.319
  226    QG   GLU  22           QG       GLU  22  -9.933   2.674  -3.596
  227    H    LYS  23           HN       LYS  23  -7.899  -0.924  -4.516
  228    HA   LYS  23           HA       LYS  23 -10.691  -1.553  -4.840
  229   1HB   LYS  23          2HB       LYS  23  -8.433  -2.151  -6.252
  230   2HB   LYS  23          3HB       LYS  23  -8.655  -3.662  -5.389
  231   1HG   LYS  23          2HG       LYS  23  -9.840  -3.701  -7.556
  232   2HG   LYS  23          3HG       LYS  23 -10.961  -3.839  -6.214
  233   1HD   LYS  23          2HD       LYS  23 -11.686  -2.265  -8.067
  234   2HD   LYS  23          3HD       LYS  23 -11.707  -1.561  -6.467
  235   1HE   LYS  23          2HE       LYS  23  -9.285  -1.271  -8.265
  236   2HE   LYS  23          3HE       LYS  23 -10.655  -0.187  -8.431
  237   1HZ   LYS  23          1HZ       LYS  23  -9.961  -0.324  -5.710
  238   2HZ   LYS  23          2HZ       LYS  23  -8.555  -0.022  -6.621
  239   3HZ   LYS  23          3HZ       LYS  23  -9.892   1.003  -6.765
  240    QB   LYS  23           QB       LYS  23  -8.544  -2.906  -5.820
  241    QG   LYS  23           QG       LYS  23 -10.401  -3.770  -6.885
  242    QD   LYS  23           QD       LYS  23 -11.696  -1.913  -7.267
  243    QE   LYS  23           QE       LYS  23  -9.970  -0.729  -8.348
  244    QZ   LYS  23           QZ       LYS  23  -9.469   0.219  -6.365
  245    H    LEU  24           HN       LEU  24  -8.090  -3.244  -3.111
  246    HA   LEU  24           HA       LEU  24  -9.736  -5.224  -1.914
  247   1HB   LEU  24          2HB       LEU  24  -7.540  -3.702  -0.449
  248   2HB   LEU  24          3HB       LEU  24  -8.063  -5.346  -0.132
  249    HG   LEU  24           HG       LEU  24  -6.731  -4.409  -2.704
  250   1HD1  LEU  24          2HD1      LEU  24  -5.273  -4.385  -0.655
  251   2HD1  LEU  24          3HD1      LEU  24  -5.634  -6.094  -0.442
  252   3HD1  LEU  24          1HD1      LEU  24  -4.765  -5.548  -1.865
  253   1HD2  LEU  24          3HD2      LEU  24  -7.411  -7.199  -1.690
  254   2HD2  LEU  24          1HD2      LEU  24  -8.230  -6.370  -3.009
  255   3HD2  LEU  24          2HD2      LEU  24  -6.540  -6.831  -3.174
  256    QB   LEU  24           QB       LEU  24  -7.802  -4.524  -0.290
  257    QD1  LEU  24           QD1      LEU  24  -5.224  -5.342  -0.988
  258    QD2  LEU  24           QD2      LEU  24  -7.394  -6.800  -2.624
  259    QQD  LEU  24           QQD      LEU  24  -6.309  -6.071  -1.806
  260    H    SER  25           HN       SER  25  -8.961  -1.931  -0.912
  261    HA   SER  25           HA       SER  25 -10.534  -1.597   1.344
  262   1HB   SER  25          2HB       SER  25  -9.349   0.113  -0.671
  263   2HB   SER  25          3HB       SER  25 -10.930   0.763  -0.246
  264    HG   SER  25           HG       SER  25  -9.686  -0.112   1.974
  265    QB   SER  25           QB       SER  25 -10.139   0.438  -0.459
  266    H    ASN  26           HN       ASN  26 -11.645  -1.251  -2.015
  267    HA   ASN  26           HA       ASN  26 -14.392  -0.752  -1.220
  268   1HB   ASN  26          2HB       ASN  26 -13.498   0.064  -3.357
  269   2HB   ASN  26          3HB       ASN  26 -13.227  -1.586  -3.901
  270   1HD2  ASN  26          2HD2      ASN  26 -16.659  -2.166  -4.642
  271   2HD2  ASN  26          1HD2      ASN  26 -15.131  -2.881  -4.445
  272    QB   ASN  26           QB       ASN  26 -13.362  -0.761  -3.629
  273    QD2  ASN  26           QD2      ASN  26 -15.895  -2.524  -4.543
  274    H    GLU  27           HN       GLU  27 -12.653  -3.657  -2.205
  275    HA   GLU  27           HA       GLU  27 -15.002  -5.311  -2.450
  276   1HB   GLU  27          2HB       GLU  27 -12.186  -6.258  -1.812
  277   2HB   GLU  27          3HB       GLU  27 -13.463  -7.192  -2.554
  278   1HG   GLU  27          2HG       GLU  27 -11.663  -5.154  -3.770
  279   2HG   GLU  27          3HG       GLU  27 -12.289  -6.637  -4.457
  280    QB   GLU  27           QB       GLU  27 -12.824  -6.725  -2.183
  281    QG   GLU  27           QG       GLU  27 -11.976  -5.895  -4.113
  282    NH1  ARG  28           NH2      ARG  28 -10.488 -10.213   3.149
  283    NH2  ARG  28           NH1      ARG  28 -11.643  -9.132   4.799
  284    H    ARG  28           HN       ARG  28 -12.783  -4.650   0.210
  285    HA   ARG  28           HA       ARG  28 -14.744  -5.971   2.007
  286   1HB   ARG  28          2HB       ARG  28 -12.738  -6.923   3.261
  287   2HB   ARG  28          3HB       ARG  28 -13.109  -7.648   1.714
  288   1HG   ARG  28          2HG       ARG  28 -11.373  -6.157   0.653
  289   2HG   ARG  28          3HG       ARG  28 -10.945  -5.589   2.261
  290   1HD   ARG  28          2HD       ARG  28 -10.848  -8.484   1.329
  291   2HD   ARG  28          3HD       ARG  28  -9.446  -7.437   1.559
  292    HE   ARG  28           HE       ARG  28 -10.171  -7.293   4.009
  293   1HH1  ARG  28          2HH2      ARG  28  -9.855 -10.151   2.374
  294   2HH1  ARG  28          1HH2      ARG  28 -10.830 -11.105   3.437
  295   1HH2  ARG  28          2HH1      ARG  28 -11.864  -8.254   5.242
  296   2HH2  ARG  28          1HH1      ARG  28 -12.017  -9.976   5.164
  297    QB   ARG  28           QB       ARG  28 -12.924  -7.285   2.488
  298    QG   ARG  28           QG       ARG  28 -11.159  -5.873   1.457
  299    QD   ARG  28           QD       ARG  28 -10.147  -7.961   1.444
  300    QH1  ARG  28           QH2      ARG  28 -10.342 -10.628   2.905
  301    QH2  ARG  28           QH1      ARG  28 -11.941  -9.115   5.203
  302    H    ASP  29           HN       ASP  29 -15.476  -4.473   3.297
  303    HA   ASP  29           HA       ASP  29 -14.339  -1.942   3.830
  304   1HB   ASP  29          2HB       ASP  29 -16.412  -3.570   5.324
  305   2HB   ASP  29          3HB       ASP  29 -16.073  -1.876   5.663
  306    QB   ASP  29           QB       ASP  29 -16.242  -2.723   5.494
  307    H    ASP  30           HN       ASP  30 -12.810  -4.563   4.845
  308    HA   ASP  30           HA       ASP  30 -12.205  -3.459   7.563
  309   1HB   ASP  30          2HB       ASP  30 -11.534  -5.674   8.220
  310   2HB   ASP  30          3HB       ASP  30 -13.065  -5.864   7.376
  311    QB   ASP  30           QB       ASP  30 -12.300  -5.769   7.798
  312    H    PHE  31           HN       PHE  31 -11.134  -3.536   4.448
  313    HA   PHE  31           HA       PHE  31  -8.259  -3.464   5.263
  314   1HB   PHE  31          2HB       PHE  31  -8.774  -5.080   3.474
  315   2HB   PHE  31          3HB       PHE  31  -9.481  -3.788   2.499
  316    HD1  PHE  31          2HD       PHE  31  -6.322  -4.882   4.144
  317    HD2  PHE  31          1HD       PHE  31  -8.079  -2.311   1.249
  318    HE1  PHE  31          2HE       PHE  31  -4.078  -4.105   3.475
  319    HE2  PHE  31          1HE       PHE  31  -5.858  -1.573   0.554
  320    HZ   PHE  31           HZ       PHE  31  -3.853  -2.452   1.666
  321    QB   PHE  31           QB       PHE  31  -9.128  -4.434   2.986
  322    QR   PHE  31           QR       PHE  31  -6.084  -3.218   2.355
  323    H    GLN  32           HN       GLN  32  -7.459  -1.489   5.551
  324    HA   GLN  32           HA       GLN  32  -8.474   0.737   3.829
  325   1HB   GLN  32          2HB       GLN  32  -7.501   0.888   6.715
  326   2HB   GLN  32          3HB       GLN  32  -8.117   2.233   5.765
  327   1HG   GLN  32          2HG       GLN  32 -10.343   1.270   5.695
  328   2HG   GLN  32          3HG       GLN  32  -9.766  -0.258   6.352
  329   1HE2  GLN  32          2HE2      GLN  32 -11.118   2.330   8.975
  330   2HE2  GLN  32          1HE2      GLN  32 -11.589   2.222   7.347
  331    QB   GLN  32           QB       GLN  32  -7.809   1.561   6.240
  332    QG   GLN  32           QG       GLN  32 -10.054   0.506   6.024
  333    QE2  GLN  32           QE2      GLN  32 -11.353   2.276   8.161
  334    OH   TYR  33           OH       TYR  33  -7.381   4.579  -1.863
  335    H    TYR  33           HN       TYR  33  -6.824   2.529   3.672
  336    HA   TYR  33           HA       TYR  33  -4.029   1.834   4.081
  337   1HB   TYR  33          2HB       TYR  33  -3.377   1.673   1.769
  338   2HB   TYR  33          3HB       TYR  33  -4.722   0.560   1.989
  339    HD1  TYR  33           HD1      TYR  33  -7.056   1.280   1.223
  340    HD2  TYR  33           HD2      TYR  33  -3.573   3.577   0.370
  341    HE1  TYR  33           HE1      TYR  33  -8.345   2.646  -0.344
  342    HE2  TYR  33           HE2      TYR  33  -4.853   4.935  -1.196
  343    HH   TYR  33           HH       TYR  33  -7.860   5.277  -1.398
  344    QB   TYR  33           QB       TYR  33  -4.050   1.117   1.879
  345    QR   TYR  33           QR       TYR  33  -5.957   3.110   0.013
  346    H    GLN  34           HN       GLN  34  -2.588   3.588   3.170
  347    HA   GLN  34           HA       GLN  34  -3.966   6.178   2.633
  348   1HB   GLN  34          2HB       GLN  34  -2.986   5.566   5.165
  349   2HB   GLN  34          3HB       GLN  34  -1.638   6.426   4.442
  350   1HG   GLN  34          2HG       GLN  34  -4.498   7.453   4.632
  351   2HG   GLN  34          3HG       GLN  34  -3.141   8.008   5.603
  352   1HE2  GLN  34          2HE2      GLN  34  -1.713   9.924   2.934
  353   2HE2  GLN  34          1HE2      GLN  34  -1.389   9.187   4.431
  354    QB   GLN  34           QB       GLN  34  -2.312   5.996   4.804
  355    QG   GLN  34           QG       GLN  34  -3.820   7.730   5.118
  356    QE2  GLN  34           QE2      GLN  34  -1.551   9.556   3.682
  357    OH   TYR  35           OH       TYR  35   2.847   8.546  -4.735
  358    H    TYR  35           HN       TYR  35  -2.601   7.725   1.510
  359    HA   TYR  35           HA       TYR  35  -0.089   6.487   0.427
  360   1HB   TYR  35          2HB       TYR  35  -1.856   6.678  -1.297
  361   2HB   TYR  35          3HB       TYR  35  -2.019   8.396  -0.951
  362    HD1  TYR  35           HD2      TYR  35   1.046   6.277  -1.293
  363    HD2  TYR  35           HD1      TYR  35  -1.174   9.544  -2.868
  364    HE1  TYR  35           HE2      TYR  35   2.819   6.701  -2.908
  365    HE2  TYR  35           HE1      TYR  35   0.612   9.951  -4.503
  366    HH   TYR  35           HH       TYR  35   2.900   9.497  -4.925
  367    QB   TYR  35           QB       TYR  35  -1.937   7.537  -1.124
  368    QR   TYR  35           QR       TYR  35   0.826   8.118  -2.893
  369    H    VAL  36           HN       VAL  36   1.723   7.633   0.608
  370    HA   VAL  36           HA       VAL  36   1.531  10.502   1.449
  371    HB   VAL  36           HB       VAL  36   3.861   8.793   2.311
  372   1HG1  VAL  36          3HG1      VAL  36   2.368  11.107   3.598
  373   2HG1  VAL  36          1HG1      VAL  36   3.801  10.331   4.258
  374   3HG1  VAL  36          2HG1      VAL  36   3.909  11.214   2.744
  375   1HG2  VAL  36          2HG2      VAL  36   1.200   8.836   3.775
  376   2HG2  VAL  36          3HG2      VAL  36   1.923   7.435   2.988
  377   3HG2  VAL  36          1HG2      VAL  36   2.703   8.156   4.393
  378    QG1  VAL  36           QG1      VAL  36   3.359  10.884   3.533
  379    QG2  VAL  36           QG2      VAL  36   1.942   8.142   3.719
  380    QQG  VAL  36           QQG      VAL  36   2.651   9.513   3.626
  381    H    ASP  37           HN       ASP  37   3.446  11.748   0.870
  382    HA   ASP  37           HA       ASP  37   4.806  10.638  -1.564
  383   1HB   ASP  37          2HB       ASP  37   3.296  12.641  -1.991
  384   2HB   ASP  37          3HB       ASP  37   4.325  13.575  -0.913
  385    QB   ASP  37           QB       ASP  37   3.810  13.108  -1.452
  386    H    ILE  38           HN       ILE  38   6.947  10.454  -1.360
  387    HA   ILE  38           HA       ILE  38   8.333  10.578   1.032
  388    HB   ILE  38           HB       ILE  38  10.427  10.782  -0.375
  389   1HG1  ILE  38          2HG1      ILE  38   9.653  10.405  -2.940
  390   2HG1  ILE  38          3HG1      ILE  38   8.371  11.486  -2.421
  391   1HG2  ILE  38          3HG2      ILE  38   9.349   8.625   0.114
  392   2HG2  ILE  38          1HG2      ILE  38   8.299   8.818  -1.290
  393   3HG2  ILE  38          2HG2      ILE  38  10.037   8.623  -1.505
  394   1HD1  ILE  38          2HD1      ILE  38  10.058  13.102  -1.609
  395   2HD1  ILE  38          3HD1      ILE  38  11.342  12.024  -2.137
  396   3HD1  ILE  38          1HD1      ILE  38  10.274  12.774  -3.321
  397    QG1  ILE  38           QG1      ILE  38   9.012  10.945  -2.680
  398    QG2  ILE  38           QG2      ILE  38   9.228   8.689  -0.894
  399    QD1  ILE  38           QD1      ILE  38  10.558  12.633  -2.356
  400    NH1  ARG  39           NH1      ARG  39   4.887  15.985  -2.872
  401    NH2  ARG  39           NH2      ARG  39   5.531  17.402  -4.530
  402    H    ARG  39           HN       ARG  39   7.525  13.244  -1.017
  403    HA   ARG  39           HA       ARG  39   9.414  15.129   0.121
  404   1HB   ARG  39          2HB       ARG  39   8.427  15.483  -2.101
  405   2HB   ARG  39          3HB       ARG  39   6.813  15.474  -1.422
  406   1HG   ARG  39          2HG       ARG  39   7.315  17.547  -0.162
  407   2HG   ARG  39          3HG       ARG  39   8.957  17.538  -0.798
  408   1HD   ARG  39          2HD       ARG  39   7.714  19.044  -2.209
  409   2HD   ARG  39          3HD       ARG  39   7.909  17.561  -3.144
  410    HE   ARG  39           HE       ARG  39   5.363  18.425  -1.807
  411   1HH1  ARG  39          2HH1      ARG  39   4.834  15.776  -1.899
  412   2HH1  ARG  39          1HH1      ARG  39   4.526  15.327  -3.540
  413   1HH2  ARG  39          2HH2      ARG  39   5.957  18.265  -4.801
  414   2HH2  ARG  39          1HH2      ARG  39   5.171  16.769  -5.233
  415    QB   ARG  39           QB       ARG  39   7.620  15.479  -1.761
  416    QG   ARG  39           QG       ARG  39   8.136  17.543  -0.480
  417    QD   ARG  39           QD       ARG  39   7.811  18.303  -2.676
  418    QH1  ARG  39           QH1      ARG  39   4.680  15.551  -2.720
  419    QH2  ARG  39           QH2      ARG  39   5.564  17.517  -5.017
  420    H    ALA  40           HN       ALA  40   5.900  14.838   0.429
  421    HA   ALA  40           HA       ALA  40   5.192  16.660   2.326
  422   1HB   ALA  40          2HB       ALA  40   4.404  13.726   2.334
  423   2HB   ALA  40          3HB       ALA  40   3.513  15.009   3.145
  424   3HB   ALA  40          1HB       ALA  40   3.628  14.991   1.388
  425    QB   ALA  40           QB       ALA  40   3.849  14.575   2.289
  426    H    GLU  41           HN       GLU  41   6.641  13.534   3.028
  427    HA   GLU  41           HA       GLU  41   6.946  14.175   5.889
  428   1HB   GLU  41          2HB       GLU  41   7.759  11.770   4.212
  429   2HB   GLU  41          3HB       GLU  41   8.047  11.883   5.944
  430   1HG   GLU  41          2HG       GLU  41   5.637  12.094   6.372
  431   2HG   GLU  41          3HG       GLU  41   5.301  12.093   4.643
  432    QB   GLU  41           QB       GLU  41   7.903  11.826   5.078
  433    QG   GLU  41           QG       GLU  41   5.469  12.094   5.507
  434    H    GLY  42           HN       GLY  42   9.117  13.636   3.110
  435   1HA   GLY  42          1HA       GLY  42  11.117  15.057   2.844
  436   2HA   GLY  42          2HA       GLY  42  11.248  15.131   4.600
  437    QA   GLY  42           QA       GLY  42  11.183  15.094   3.722
  438    H    ILE  43           HN       ILE  43  10.781  12.476   2.352
  439    HA   ILE  43           HA       ILE  43  13.079  11.040   3.588
  440    HB   ILE  43           HB       ILE  43  10.688   9.895   2.090
  441   1HG1  ILE  43          2HG1      ILE  43  10.964   9.830   5.096
  442   2HG1  ILE  43          3HG1      ILE  43  10.240  11.236   4.336
  443   1HG2  ILE  43          1HG2      ILE  43  12.708   8.675   3.997
  444   2HG2  ILE  43          2HG2      ILE  43  11.328   7.835   3.315
  445   3HG2  ILE  43          3HG2      ILE  43  12.625   8.388   2.260
  446   1HD1  ILE  43          3HD1      ILE  43   9.285   8.366   3.949
  447   2HD1  ILE  43          1HD1      ILE  43   8.516   9.569   4.972
  448   3HD1  ILE  43          2HD1      ILE  43   8.551   9.798   3.231
  449    QG1  ILE  43           QG1      ILE  43  10.602  10.533   4.716
  450    QG2  ILE  43           QG2      ILE  43  12.220   8.299   3.191
  451    QD1  ILE  43           QD1      ILE  43   8.784   9.245   4.050
  452    H    THR  44           HN       THR  44  14.575   9.955   2.229
  453    HA   THR  44           HA       THR  44  14.338  10.674  -0.688
  454    HB   THR  44           HB       THR  44  16.932  10.555  -0.660
  455    HG1  THR  44          1HG       THR  44  17.830  10.635   1.380
  456   1HG2  THR  44          3HG2      THR  44  15.693  12.781  -0.537
  457   2HG2  THR  44          1HG2      THR  44  15.694  12.624   1.216
  458   3HG2  THR  44          2HG2      THR  44  17.214  12.792   0.349
  459    QG2  THR  44           QG2      THR  44  16.200  12.732   0.343
  460    H    LYS  45           HN       LYS  45  16.796   8.682   0.639
  461    HA   LYS  45           HA       LYS  45  15.482   6.206  -0.364
  462   1HB   LYS  45          2HB       LYS  45  16.817   6.832  -2.268
  463   2HB   LYS  45          3HB       LYS  45  18.172   7.315  -1.262
  464   1HG   LYS  45          2HG       LYS  45  18.211   4.798  -0.504
  465   2HG   LYS  45          3HG       LYS  45  17.202   4.524  -1.919
  466   1HD   LYS  45          2HD       LYS  45  18.898   4.935  -3.397
  467   2HD   LYS  45          3HD       LYS  45  19.604   6.207  -2.407
  468   1HE   LYS  45          2HE       LYS  45  19.857   3.215  -1.918
  469   2HE   LYS  45          3HE       LYS  45  21.126   4.285  -2.515
  470   1HZ   LYS  45          2HZ       LYS  45  20.097   5.379  -0.134
  471   2HZ   LYS  45          3HZ       LYS  45  20.464   3.723   0.135
  472   3HZ   LYS  45          1HZ       LYS  45  21.650   4.807  -0.420
  473    QB   LYS  45           QB       LYS  45  17.494   7.073  -1.765
  474    QG   LYS  45           QG       LYS  45  17.707   4.661  -1.211
  475    QD   LYS  45           QD       LYS  45  19.251   5.571  -2.902
  476    QE   LYS  45           QE       LYS  45  20.492   3.750  -2.217
  477    QZ   LYS  45           QZ       LYS  45  20.737   4.636  -0.140
  478    H    GLU  46           HN       GLU  46  18.495   7.484   1.070
  479    HA   GLU  46           HA       GLU  46  19.332   5.264   2.479
  480   1HB   GLU  46          2HB       GLU  46  19.245   7.885   3.977
  481   2HB   GLU  46          3HB       GLU  46  20.532   6.691   3.921
  482   1HG   GLU  46          2HG       GLU  46  19.844   8.812   1.889
  483   2HG   GLU  46          3HG       GLU  46  21.404   8.416   2.591
  484    QB   GLU  46           QB       GLU  46  19.889   7.288   3.949
  485    QG   GLU  46           QG       GLU  46  20.624   8.614   2.240
  486    H    ASP  47           HN       ASP  47  16.875   7.558   3.679
  487    HA   ASP  47           HA       ASP  47  16.346   6.127   6.106
  488   1HB   ASP  47          2HB       ASP  47  15.549   8.467   5.722
  489   2HB   ASP  47          3HB       ASP  47  14.434   7.871   4.506
  490    QB   ASP  47           QB       ASP  47  14.992   8.169   5.114
  491    H    LEU  48           HN       LEU  48  14.547   6.182   3.053
  492    HA   LEU  48           HA       LEU  48  12.569   4.268   3.759
  493   1HB   LEU  48          2HB       LEU  48  13.717   5.363   1.238
  494   2HB   LEU  48          3HB       LEU  48  12.929   3.810   1.064
  495    HG   LEU  48           HG       LEU  48  11.629   6.141   2.500
  496   1HD1  LEU  48          3HD1      LEU  48  11.321   5.313  -0.402
  497   2HD1  LEU  48          1HD1      LEU  48  10.359   6.539   0.415
  498   3HD1  LEU  48          2HD1      LEU  48  12.083   6.797   0.159
  499   1HD2  LEU  48          2HD2      LEU  48  10.517   3.601   1.266
  500   2HD2  LEU  48          3HD2      LEU  48  10.688   3.910   2.990
  501   3HD2  LEU  48          1HD2      LEU  48   9.556   4.860   2.037
  502    QB   LEU  48           QB       LEU  48  13.323   4.586   1.151
  503    QD1  LEU  48           QD1      LEU  48  11.254   6.217   0.057
  504    QD2  LEU  48           QD2      LEU  48  10.254   4.124   2.098
  505    QQD  LEU  48           QQD      LEU  48  10.754   5.170   1.078
  506    H    GLN  49           HN       GLN  49  15.733   3.822   2.326
  507    HA   GLN  49           HA       GLN  49  15.681   1.016   2.006
  508   1HB   GLN  49          2HB       GLN  49  17.427   2.738   1.241
  509   2HB   GLN  49          3HB       GLN  49  18.073   2.680   2.875
  510   1HG   GLN  49          2HG       GLN  49  18.229   0.120   2.530
  511   2HG   GLN  49          3HG       GLN  49  17.957   0.458   0.821
  512   1HE2  GLN  49          2HE2      GLN  49  21.599   0.998   2.293
  513   2HE2  GLN  49          1HE2      GLN  49  20.397   0.047   3.025
  514    QB   GLN  49           QB       GLN  49  17.750   2.709   2.058
  515    QG   GLN  49           QG       GLN  49  18.093   0.289   1.675
  516    QE2  GLN  49           QE2      GLN  49  20.998   0.523   2.659
  517    H    GLN  50           HN       GLN  50  16.912   3.005   4.680
  518    HA   GLN  50           HA       GLN  50  17.531   0.968   6.523
  519   1HB   GLN  50          2HB       GLN  50  17.983   3.448   6.768
  520   2HB   GLN  50          3HB       GLN  50  16.288   3.675   7.170
  521   1HG   GLN  50          2HG       GLN  50  16.571   2.072   9.082
  522   2HG   GLN  50          3HG       GLN  50  18.295   2.005   8.719
  523   1HE2  GLN  50          2HE2      GLN  50  18.854   4.908  10.619
  524   2HE2  GLN  50          1HE2      GLN  50  19.421   3.402  10.091
  525    QB   GLN  50           QB       GLN  50  17.135   3.562   6.969
  526    QG   GLN  50           QG       GLN  50  17.433   2.039   8.900
  527    QE2  GLN  50           QE2      GLN  50  19.137   4.155  10.355
  528    H    LYS  51           HN       LYS  51  14.529   2.831   6.386
  529    HA   LYS  51           HA       LYS  51  12.993   1.459   8.302
  530   1HB   LYS  51          2HB       LYS  51  12.340   3.007   5.805
  531   2HB   LYS  51          3HB       LYS  51  11.044   2.200   6.655
  532   1HG   LYS  51          2HG       LYS  51  11.672   3.434   8.735
  533   2HG   LYS  51          3HG       LYS  51  12.929   4.272   7.820
  534   1HD   LYS  51          2HD       LYS  51  11.260   5.201   6.288
  535   2HD   LYS  51          3HD       LYS  51   9.985   4.265   7.050
  536   1HE   LYS  51          2HE       LYS  51   9.961   6.621   7.801
  537   2HE   LYS  51          3HE       LYS  51  10.275   5.524   9.141
  538   1HZ   LYS  51          2HZ       LYS  51  12.749   6.140   8.062
  539   2HZ   LYS  51          3HZ       LYS  51  11.901   7.595   8.066
  540   3HZ   LYS  51          1HZ       LYS  51  12.113   6.736   9.522
  541    QB   LYS  51           QB       LYS  51  11.692   2.604   6.230
  542    QG   LYS  51           QG       LYS  51  12.301   3.853   8.277
  543    QD   LYS  51           QD       LYS  51  10.623   4.733   6.669
  544    QE   LYS  51           QE       LYS  51  10.118   6.073   8.471
  545    QZ   LYS  51           QZ       LYS  51  12.254   6.824   8.550
  546    H    ALA  52           HN       ALA  52  13.123   0.985   4.853
  547    HA   ALA  52           HA       ALA  52  11.314  -1.107   4.527
  548   1HB   ALA  52          1HB       ALA  52  13.892  -0.572   3.003
  549   2HB   ALA  52          2HB       ALA  52  12.569  -1.574   2.428
  550   3HB   ALA  52          3HB       ALA  52  12.325   0.151   2.656
  551    QB   ALA  52           QB       ALA  52  12.929  -0.665   2.696
  552    H    GLY  53           HN       GLY  53  14.844  -1.361   4.853
  553   1HA   GLY  53          1HA       GLY  53  15.960  -3.050   6.170
  554   2HA   GLY  53          2HA       GLY  53  14.469  -3.994   6.198
  555    QA   GLY  53           QA       GLY  53  15.214  -3.522   6.184
  556    H    LYS  54           HN       LYS  54  14.195  -3.386   3.262
  557    HA   LYS  54           HA       LYS  54  15.946  -5.593   2.319
  558   1HB   LYS  54          2HB       LYS  54  13.462  -4.420   0.992
  559   2HB   LYS  54          3HB       LYS  54  14.283  -5.907   0.543
  560   1HG   LYS  54          2HG       LYS  54  13.695  -6.948   2.678
  561   2HG   LYS  54          3HG       LYS  54  13.030  -5.442   3.283
  562   1HD   LYS  54          2HD       LYS  54  11.154  -6.766   2.603
  563   2HD   LYS  54          3HD       LYS  54  11.345  -5.532   1.366
  564   1HE   LYS  54          2HE       LYS  54  12.499  -7.119  -0.100
  565   2HE   LYS  54          3HE       LYS  54  12.495  -8.344   1.163
  566   1HZ   LYS  54          3HZ       LYS  54   9.853  -7.398   0.711
  567   2HZ   LYS  54          1HZ       LYS  54  10.532  -7.867  -0.760
  568   3HZ   LYS  54          2HZ       LYS  54  10.478  -8.981   0.525
  569    QB   LYS  54           QB       LYS  54  13.873  -5.163   0.767
  570    QG   LYS  54           QG       LYS  54  13.363  -6.195   2.980
  571    QD   LYS  54           QD       LYS  54  11.249  -6.149   1.984
  572    QE   LYS  54           QE       LYS  54  12.497  -7.732   0.531
  573    QZ   LYS  54           QZ       LYS  54  10.288  -8.082   0.159
  574    HA   PRO  55           HA       PRO  55  18.279  -2.892  -0.168
  575   1HB   PRO  55          2HB       PRO  55  18.330  -4.671  -2.503
  576   2HB   PRO  55          3HB       PRO  55  19.621  -4.332  -1.345
  577   1HG   PRO  55          2HG       PRO  55  18.281  -6.756  -1.507
  578   2HG   PRO  55          3HG       PRO  55  19.100  -6.184  -0.048
  579   1HD   PRO  55          2HD       PRO  55  16.167  -6.218  -0.680
  580   2HD   PRO  55          3HD       PRO  55  16.989  -6.367   0.886
  581    QB   PRO  55           QB       PRO  55  18.976  -4.502  -1.924
  582    QG   PRO  55           QG       PRO  55  18.690  -6.470  -0.777
  583    QD   PRO  55           QD       PRO  55  16.578  -6.293   0.103
  584    H    VAL  56           HN       VAL  56  17.266  -1.067  -0.914
  585    HA   VAL  56           HA       VAL  56  15.749  -1.247  -3.449
  586    HB   VAL  56           HB       VAL  56  14.368   0.640  -2.480
  587   1HG1  VAL  56          1HG1      VAL  56  13.573  -1.716  -2.587
  588   2HG1  VAL  56          2HG1      VAL  56  14.307  -2.030  -1.021
  589   3HG1  VAL  56          3HG1      VAL  56  12.962  -0.906  -1.156
  590   1HG2  VAL  56          2HG2      VAL  56  15.963   1.259  -0.696
  591   2HG2  VAL  56          3HG2      VAL  56  14.383   0.863  -0.037
  592   3HG2  VAL  56          1HG2      VAL  56  15.695  -0.303   0.071
  593    QG1  VAL  56           QG1      VAL  56  13.614  -1.551  -1.588
  594    QG2  VAL  56           QG2      VAL  56  15.347   0.606  -0.220
  595    QQG  VAL  56           QQG      VAL  56  14.481  -0.472  -0.904
  596    H    GLU  57           HN       GLU  57  15.793   0.734  -4.697
  597    HA   GLU  57           HA       GLU  57  18.040   2.587  -4.059
  598   1HB   GLU  57          2HB       GLU  57  18.695   2.593  -6.474
  599   2HB   GLU  57          3HB       GLU  57  18.987   1.064  -5.673
  600   1HG   GLU  57          2HG       GLU  57  16.803   1.707  -7.664
  601   2HG   GLU  57          3HG       GLU  57  18.102   0.556  -7.834
  602    QB   GLU  57           QB       GLU  57  18.841   1.828  -6.074
  603    QG   GLU  57           QG       GLU  57  17.453   1.131  -7.749
  604    H    THR  58           HN       THR  58  15.189   2.058  -6.076
  605    HA   THR  58           HA       THR  58  14.887   5.038  -6.208
  606    HB   THR  58           HB       THR  58  13.456   3.209  -8.164
  607    HG1  THR  58          1HG       THR  58  16.102   3.286  -7.665
  608   1HG2  THR  58          3HG2      THR  58  15.068   5.788  -8.464
  609   2HG2  THR  58          1HG2      THR  58  14.055   5.043  -9.700
  610   3HG2  THR  58          2HG2      THR  58  13.317   5.766  -8.271
  611    QG2  THR  58           QG2      THR  58  14.147   5.532  -8.812
  612    H    VAL  59           HN       VAL  59  12.140   4.577  -7.264
  613    HA   VAL  59           HA       VAL  59  10.793   3.985  -4.664
  614    HB   VAL  59           HB       VAL  59   9.071   5.664  -5.491
  615   1HG1  VAL  59          2HG1      VAL  59  11.940   6.661  -5.307
  616   2HG1  VAL  59          3HG1      VAL  59  10.499   7.638  -5.050
  617   3HG1  VAL  59          1HG1      VAL  59  10.889   6.332  -3.935
  618   1HG2  VAL  59          2HG2      VAL  59   9.588   5.438  -7.918
  619   2HG2  VAL  59          3HG2      VAL  59   9.686   7.110  -7.382
  620   3HG2  VAL  59          1HG2      VAL  59  11.158   6.187  -7.641
  621    QG1  VAL  59           QG1      VAL  59  11.110   6.877  -4.764
  622    QG2  VAL  59           QG2      VAL  59  10.144   6.245  -7.647
  623    QQG  VAL  59           QQG      VAL  59  10.627   6.561  -6.205
  624    HA   PRO  60           HA       PRO  60   8.676   4.244  -4.242
  625   1HB   PRO  60          2HB       PRO  60   6.071   3.526  -4.025
  626   2HB   PRO  60          3HB       PRO  60   6.616   4.761  -5.161
  627   1HG   PRO  60          2HG       PRO  60   5.681   1.984  -5.732
  628   2HG   PRO  60          3HG       PRO  60   5.703   3.394  -6.792
  629   1HD   PRO  60          2HD       PRO  60   7.656   1.233  -6.658
  630   2HD   PRO  60          3HD       PRO  60   7.648   2.623  -7.762
  631    QB   PRO  60           QB       PRO  60   6.343   4.144  -4.593
  632    QG   PRO  60           QG       PRO  60   5.692   2.689  -6.262
  633    QD   PRO  60           QD       PRO  60   7.652   1.928  -7.210
  634    H    GLN  61           HN       GLN  61   7.353   3.383  -2.192
  635    HA   GLN  61           HA       GLN  61   8.055   0.517  -1.742
  636   1HB   GLN  61          2HB       GLN  61   8.729   2.756   0.186
  637   2HB   GLN  61          3HB       GLN  61   9.106   1.050   0.381
  638   1HG   GLN  61          2HG       GLN  61  10.195   1.568  -2.110
  639   2HG   GLN  61          3HG       GLN  61  10.462   3.103  -1.288
  640   1HE2  GLN  61          2HE2      GLN  61  12.023  -0.210   0.544
  641   2HE2  GLN  61          1HE2      GLN  61  10.484  -0.308  -0.182
  642    QB   GLN  61           QB       GLN  61   8.918   1.903   0.283
  643    QG   GLN  61           QG       GLN  61  10.328   2.336  -1.699
  644    QE2  GLN  61           QE2      GLN  61  11.254  -0.259   0.181
  645    H    ILE  62           HN       ILE  62   6.773  -0.561  -0.326
  646    HA   ILE  62           HA       ILE  62   4.425   0.928   0.794
  647    HB   ILE  62           HB       ILE  62   4.450  -1.851  -0.437
  648   1HG1  ILE  62          2HG1      ILE  62   2.617  -0.654  -1.888
  649   2HG1  ILE  62          3HG1      ILE  62   3.389   0.828  -1.345
  650   1HG2  ILE  62          1HG2      ILE  62   2.211  -0.292   0.906
  651   2HG2  ILE  62          2HG2      ILE  62   1.985  -1.784   0.008
  652   3HG2  ILE  62          3HG2      ILE  62   2.929  -1.789   1.490
  653   1HD1  ILE  62          2HD1      ILE  62   4.860  -1.458  -2.684
  654   2HD1  ILE  62          3HD1      ILE  62   4.287  -0.016  -3.518
  655   3HD1  ILE  62          1HD1      ILE  62   5.518   0.119  -2.278
  656    QG1  ILE  62           QG1      ILE  62   3.003   0.087  -1.616
  657    QG2  ILE  62           QG2      ILE  62   2.375  -1.288   0.801
  658    QD1  ILE  62           QD1      ILE  62   4.888  -0.452  -2.826
  659    H    PHE  63           HN       PHE  63   3.649   0.332   2.656
  660    HA   PHE  63           HA       PHE  63   5.060  -1.743   4.301
  661   1HB   PHE  63          2HB       PHE  63   4.215   1.044   5.208
  662   2HB   PHE  63          3HB       PHE  63   4.905  -0.194   6.249
  663    HD1  PHE  63          2HD       PHE  63   5.694   1.682   3.095
  664    HD2  PHE  63          1HD       PHE  63   7.231  -0.165   6.611
  665    HE1  PHE  63          2HE       PHE  63   7.934   2.517   2.547
  666    HE2  PHE  63          1HE       PHE  63   9.478   0.686   6.072
  667    HZ   PHE  63           HZ       PHE  63   9.836   2.007   4.028
  668    QB   PHE  63           QB       PHE  63   4.560   0.425   5.729
  669    QR   PHE  63           QR       PHE  63   7.584   1.180   4.581
  670    H    VAL  64           HN       VAL  64   3.711  -2.464   6.113
  671    HA   VAL  64           HA       VAL  64   0.786  -2.158   5.565
  672    HB   VAL  64           HB       VAL  64   2.315  -4.453   6.881
  673   1HG1  VAL  64          3HG1      VAL  64  -0.619  -4.221   6.097
  674   2HG1  VAL  64          1HG1      VAL  64   0.167  -5.692   6.670
  675   3HG1  VAL  64          2HG1      VAL  64   0.008  -4.311   7.740
  676   1HG2  VAL  64          3HG2      VAL  64   1.017  -4.236   4.138
  677   2HG2  VAL  64          1HG2      VAL  64   2.742  -4.287   4.466
  678   3HG2  VAL  64          2HG2      VAL  64   1.742  -5.694   4.803
  679    QG1  VAL  64           QG1      VAL  64  -0.148  -4.741   6.836
  680    QG2  VAL  64           QG2      VAL  64   1.834  -4.739   4.469
  681    QQG  VAL  64           QQG      VAL  64   0.843  -4.740   5.652
  682    H    ASP  65           HN       ASP  65  -0.460  -2.477   7.773
  683    HA   ASP  65           HA       ASP  65   0.317  -0.457   9.539
  684   1HB   ASP  65          2HB       ASP  65  -1.980  -1.483   9.348
  685   2HB   ASP  65          3HB       ASP  65  -1.380  -2.876  10.242
  686    QB   ASP  65           QB       ASP  65  -1.680  -2.180   9.795
  687    H    GLN  66           HN       GLN  66   1.715  -3.468   9.207
  688    HA   GLN  66           HA       GLN  66   2.845  -3.288  11.954
  689   1HB   GLN  66          2HB       GLN  66   2.132  -5.768  10.363
  690   2HB   GLN  66          3HB       GLN  66   3.000  -5.800  11.896
  691   1HG   GLN  66          2HG       GLN  66   1.134  -4.745  13.046
  692   2HG   GLN  66          3HG       GLN  66   0.300  -4.436  11.532
  693   1HE2  GLN  66          2HE2      GLN  66  -0.864  -7.649  13.303
  694   2HE2  GLN  66          1HE2      GLN  66  -0.437  -6.152  13.981
  695    QB   GLN  66           QB       GLN  66   2.566  -5.784  11.130
  696    QG   GLN  66           QG       GLN  66   0.717  -4.591  12.289
  697    QE2  GLN  66           QE2      GLN  66  -0.650  -6.900  13.642
  698    H    GLN  67           HN       GLN  67   3.716  -4.769   8.790
  699    HA   GLN  67           HA       GLN  67   6.571  -4.116   9.468
  700   1HB   GLN  67          2HB       GLN  67   5.251  -6.614   8.701
  701   2HB   GLN  67          3HB       GLN  67   6.557  -6.226   7.593
  702   1HG   GLN  67          2HG       GLN  67   6.972  -6.050  10.572
  703   2HG   GLN  67          3HG       GLN  67   7.091  -7.597   9.744
  704   1HE2  GLN  67          2HE2      GLN  67  10.433  -6.872   8.896
  705   2HE2  GLN  67          1HE2      GLN  67   9.315  -7.997   9.498
  706    QB   GLN  67           QB       GLN  67   5.904  -6.420   8.147
  707    QG   GLN  67           QG       GLN  67   7.032  -6.823  10.158
  708    QE2  GLN  67           QE2      GLN  67   9.874  -7.434   9.197
  709    H    HIS  68           HN       HIS  68   7.985  -4.232   7.427
  710    HA   HIS  68           HA       HIS  68   6.713  -2.497   5.380
  711   1HB   HIS  68          2HB       HIS  68   8.867  -1.703   6.085
  712   2HB   HIS  68          3HB       HIS  68   9.572  -3.294   5.979
  713    HD1  HIS  68           HD1      HIS  68  10.818  -3.674   3.989
  714    HD2  HIS  68           HD2      HIS  68   8.032  -0.747   3.248
  715    HE1  HIS  68           HE1      HIS  68  11.113  -3.008   1.581
  716    QB   HIS  68           QB       HIS  68   9.220  -2.498   6.032
  717    H    ILE  69           HN       ILE  69   6.867  -3.176   3.082
  718    HA   ILE  69           HA       ILE  69   7.024  -6.169   2.905
  719    HB   ILE  69           HB       ILE  69   5.369  -4.285   1.196
  720   1HG1  ILE  69          2HG1      ILE  69   4.582  -4.157   3.512
  721   2HG1  ILE  69          3HG1      ILE  69   3.435  -5.073   2.548
  722   1HG2  ILE  69          3HG2      ILE  69   5.339  -7.307   1.554
  723   2HG2  ILE  69          1HG2      ILE  69   4.162  -6.390   0.622
  724   3HG2  ILE  69          2HG2      ILE  69   5.841  -6.427   0.117
  725   1HD1  ILE  69          3HD1      ILE  69   5.552  -6.295   4.365
  726   2HD1  ILE  69          1HD1      ILE  69   3.845  -6.174   4.738
  727   3HD1  ILE  69          2HD1      ILE  69   4.383  -7.194   3.414
  728    QG1  ILE  69           QG1      ILE  69   4.009  -4.615   3.030
  729    QG2  ILE  69           QG2      ILE  69   5.114  -6.708   0.764
  730    QD1  ILE  69           QD1      ILE  69   4.593  -6.554   4.172
  731    H    GLY  70           HN       GLY  70   7.478  -3.219   1.021
  732   1HA   GLY  70          1HA       GLY  70   9.930  -3.377  -0.007
  733   2HA   GLY  70          2HA       GLY  70   9.213  -4.717  -0.880
  734    QA   GLY  70           QA       GLY  70   9.571  -4.047  -0.444
  735    H    GLY  71           HN       GLY  71   8.861  -4.022  -2.930
  736   1HA   GLY  71          1HA       GLY  71   7.759  -1.252  -3.303
  737   2HA   GLY  71          2HA       GLY  71   8.702  -2.119  -4.510
  738    QA   GLY  71           QA       GLY  71   8.231  -1.686  -3.907
  739    OH   TYR  72           OH       TYR  72   0.477  -4.762 -10.060
  740    H    TYR  72           HN       TYR  72   6.617  -1.353  -5.713
  741    HA   TYR  72           HA       TYR  72   4.058  -2.319  -5.447
  742   1HB   TYR  72          2HB       TYR  72   4.578  -1.027  -7.407
  743   2HB   TYR  72          3HB       TYR  72   5.707  -2.242  -7.998
  744    HD1  TYR  72           HD2      TYR  72   2.122  -1.549  -7.339
  745    HD2  TYR  72           HD1      TYR  72   4.886  -4.207  -9.192
  746    HE1  TYR  72           HE2      TYR  72   0.274  -2.672  -8.492
  747    HE2  TYR  72           HE1      TYR  72   3.030  -5.363 -10.291
  748    HH   TYR  72           HH       TYR  72   0.556  -5.705  -9.876
  749    QB   TYR  72           QB       TYR  72   5.143  -1.634  -7.702
  750    QR   TYR  72           QR       TYR  72   2.578  -3.448  -8.828
  751    H    THR  73           HN       THR  73   6.701  -4.189  -6.912
  752    HA   THR  73           HA       THR  73   5.325  -6.578  -7.433
  753    HB   THR  73           HB       THR  73   7.772  -7.565  -6.878
  754    HG1  THR  73          1HG       THR  73   8.640  -5.923  -5.692
  755   1HG2  THR  73          3HG2      THR  73   6.969  -6.927  -9.231
  756   2HG2  THR  73          1HG2      THR  73   7.479  -5.275  -8.895
  757   3HG2  THR  73          2HG2      THR  73   8.674  -6.565  -8.957
  758    QG2  THR  73           QG2      THR  73   7.707  -6.256  -9.028
  759    H    ASP  74           HN       ASP  74   7.201  -5.810  -4.559
  760    HA   ASP  74           HA       ASP  74   6.554  -8.091  -3.030
  761   1HB   ASP  74          2HB       ASP  74   7.020  -5.279  -1.964
  762   2HB   ASP  74          3HB       ASP  74   7.291  -6.791  -1.106
  763    QB   ASP  74           QB       ASP  74   7.155  -6.035  -1.535
  764    H    PHE  75           HN       PHE  75   5.039  -4.898  -2.948
  765    HA   PHE  75           HA       PHE  75   2.993  -5.506  -1.091
  766   1HB   PHE  75          2HB       PHE  75   3.479  -3.201  -1.883
  767   2HB   PHE  75          3HB       PHE  75   2.841  -3.610  -3.470
  768    HD1  PHE  75          2HD       PHE  75   1.602  -4.345   0.008
  769    HD2  PHE  75          1HD       PHE  75   0.782  -2.514  -3.752
  770    HE1  PHE  75          2HE       PHE  75  -0.655  -3.792   0.768
  771    HE2  PHE  75          1HE       PHE  75  -1.457  -1.904  -2.958
  772    HZ   PHE  75           HZ       PHE  75  -2.175  -2.541  -0.696
  773    QB   PHE  75           QB       PHE  75   3.160  -3.406  -2.677
  774    QR   PHE  75           QR       PHE  75   0.068  -3.138  -1.483
  775    H    ALA  76           HN       ALA  76   2.813  -5.707  -4.653
  776    HA   ALA  76           HA       ALA  76   0.148  -6.622  -4.836
  777   1HB   ALA  76          1HB       ALA  76   2.529  -7.409  -6.557
  778   2HB   ALA  76          2HB       ALA  76   0.838  -7.608  -7.010
  779   3HB   ALA  76          3HB       ALA  76   1.512  -5.995  -6.806
  780    QB   ALA  76           QB       ALA  76   1.626  -7.004  -6.791
  781    H    ALA  77           HN       ALA  77   3.171  -8.462  -4.571
  782    HA   ALA  77           HA       ALA  77   1.969 -11.047  -4.439
  783   1HB   ALA  77          3HB       ALA  77   4.406 -10.697  -4.750
  784   2HB   ALA  77          1HB       ALA  77   4.528 -10.100  -3.101
  785   3HB   ALA  77          2HB       ALA  77   4.086 -11.782  -3.398
  786    QB   ALA  77           QB       ALA  77   4.340 -10.860  -3.750
  787    CH2  TRP  78           CH2      TRP  78  -1.216  -6.495   4.110
  788    H    TRP  78           HN       TRP  78   3.095  -8.977  -1.753
  789    HA   TRP  78           HA       TRP  78   2.209 -10.574   0.398
  790   1HB   TRP  78          2HB       TRP  78   3.479  -8.502   0.748
  791   2HB   TRP  78          3HB       TRP  78   2.122  -7.559   0.213
  792    HD1  TRP  78           HD1      TRP  78   3.105  -9.861   3.227
  793    HE1  TRP  78           HE1      TRP  78   1.639  -9.316   5.188
  794    HE3  TRP  78           HE3      TRP  78   0.161  -6.522   0.994
  795    HZ2  TRP  78           HZ2      TRP  78  -0.568  -7.670   5.768
  796    HZ3  TRP  78           HZ3      TRP  78  -1.674  -5.463   2.297
  797    HH2  TRP  78           HH2      TRP  78  -2.019  -6.028   4.663
  798    QB   TRP  78           QB       TRP  78   2.800  -8.030   0.481
  799    H    VAL  79           HN       VAL  79   0.428  -8.039  -1.285
  800    HA   VAL  79           HA       VAL  79  -2.028  -8.231   0.042
  801    HB   VAL  79           HB       VAL  79  -1.339  -7.674  -2.864
  802   1HG1  VAL  79          2HG1      VAL  79  -4.066  -7.520  -1.525
  803   2HG1  VAL  79          3HG1      VAL  79  -3.688  -6.851  -3.106
  804   3HG1  VAL  79          1HG1      VAL  79  -3.620  -8.584  -2.852
  805   1HG2  VAL  79          2HG2      VAL  79  -2.292  -5.914  -0.576
  806   2HG2  VAL  79          3HG2      VAL  79  -0.658  -5.985  -1.209
  807   3HG2  VAL  79          1HG2      VAL  79  -1.958  -5.355  -2.209
  808    QG1  VAL  79           QG1      VAL  79  -3.792  -7.652  -2.495
  809    QG2  VAL  79           QG2      VAL  79  -1.636  -5.751  -1.332
  810    QQG  VAL  79           QQG      VAL  79  -2.714  -6.701  -1.913
  811    H    LYS  80           HN       LYS  80  -1.196  -9.825  -3.014
  812    HA   LYS  80           HA       LYS  80  -3.347 -11.546  -3.270
  813   1HB   LYS  80          2HB       LYS  80  -1.216 -11.206  -4.750
  814   2HB   LYS  80          3HB       LYS  80  -0.532 -12.515  -3.809
  815   1HG   LYS  80          2HG       LYS  80  -3.190 -12.755  -5.269
  816   2HG   LYS  80          3HG       LYS  80  -1.659 -13.189  -6.007
  817   1HD   LYS  80          2HD       LYS  80  -1.953 -15.251  -5.111
  818   2HD   LYS  80          3HD       LYS  80  -1.548 -14.516  -3.571
  819   1HE   LYS  80          2HE       LYS  80  -4.147 -13.875  -3.600
  820   2HE   LYS  80          3HE       LYS  80  -4.242 -15.255  -4.674
  821   1HZ   LYS  80          3HZ       LYS  80  -2.639 -16.037  -2.539
  822   2HZ   LYS  80          1HZ       LYS  80  -3.957 -15.203  -1.870
  823   3HZ   LYS  80          2HZ       LYS  80  -4.244 -16.545  -2.872
  824    QB   LYS  80           QB       LYS  80  -0.874 -11.860  -4.280
  825    QG   LYS  80           QG       LYS  80  -2.424 -12.972  -5.638
  826    QD   LYS  80           QD       LYS  80  -1.751 -14.884  -4.341
  827    QE   LYS  80           QE       LYS  80  -4.194 -14.565  -4.137
  828    QZ   LYS  80           QZ       LYS  80  -3.614 -15.928  -2.427
  829    H    GLU  81           HN       GLU  81  -0.377 -12.278  -1.378
  830    HA   GLU  81           HA       GLU  81  -1.775 -14.702  -0.423
  831   1HB   GLU  81          2HB       GLU  81   1.013 -13.750   0.358
  832   2HB   GLU  81          3HB       GLU  81   0.372 -15.376   0.489
  833   1HG   GLU  81          2HG       GLU  81   0.549 -14.031  -2.217
  834   2HG   GLU  81          3HG       GLU  81   1.947 -14.835  -1.522
  835    QB   GLU  81           QB       GLU  81   0.693 -14.563   0.424
  836    QG   GLU  81           QG       GLU  81   1.248 -14.433  -1.869
  837    H    ASN  82           HN       ASN  82  -2.631 -12.004   0.574
  838    HA   ASN  82           HA       ASN  82  -2.573 -12.759   3.455
  839   1HB   ASN  82          2HB       ASN  82  -1.574 -10.143   2.333
  840   2HB   ASN  82          3HB       ASN  82  -2.265 -10.201   3.949
  841   1HD2  ASN  82          2HD2      ASN  82   1.310 -12.037   3.221
  842   2HD2  ASN  82          1HD2      ASN  82   0.360 -11.451   1.939
  843    QB   ASN  82           QB       ASN  82  -1.919 -10.172   3.141
  844    QD2  ASN  82           QD2      ASN  82   0.835 -11.744   2.580
  845    H    LEU  83           HN       LEU  83  -3.966 -10.626   1.004
  846    HA   LEU  83           HA       LEU  83  -6.419 -10.389   2.717
  847   1HB   LEU  83          2HB       LEU  83  -5.545  -8.670   0.370
  848   2HB   LEU  83          3HB       LEU  83  -6.905  -8.355   1.437
  849    HG   LEU  83           HG       LEU  83  -4.085  -8.610   2.530
  850   1HD1  LEU  83          2HD1      LEU  83  -4.088  -6.848   0.795
  851   2HD1  LEU  83          3HD1      LEU  83  -5.464  -6.076   1.581
  852   3HD1  LEU  83          1HD1      LEU  83  -3.910  -6.167   2.403
  853   1HD2  LEU  83          1HD2      LEU  83  -5.984  -8.704   4.128
  854   2HD2  LEU  83          2HD2      LEU  83  -5.022  -7.249   4.352
  855   3HD2  LEU  83          3HD2      LEU  83  -6.574  -7.161   3.518
  856    QB   LEU  83           QB       LEU  83  -6.225  -8.513   0.903
  857    QD1  LEU  83           QD1      LEU  83  -4.487  -6.364   1.593
  858    QD2  LEU  83           QD2      LEU  83  -5.860  -7.705   4.000
  859    QQD  LEU  83           QQD      LEU  83  -5.174  -7.034   2.796
  860    H    ASP  84           HN       ASP  84  -5.345 -12.240   0.234
  861    HA   ASP  84           HA       ASP  84  -7.839 -12.131  -1.334
  862   1HB   ASP  84          2HB       ASP  84  -5.273 -12.085  -2.177
  863   2HB   ASP  84          3HB       ASP  84  -5.439 -13.806  -2.008
  864    QB   ASP  84           QB       ASP  84  -5.356 -12.946  -2.093
  865    H    ALA  85           HN       ALA  85  -6.773 -14.854  -2.121
  866    HA   ALA  85           HA       ALA  85  -7.774 -16.536   0.125
  867   1HB   ALA  85          3HB       ALA  85  -9.631 -16.250  -1.512
  868   2HB   ALA  85          1HB       ALA  85  -8.574 -16.824  -2.800
  869   3HB   ALA  85          2HB       ALA  85  -9.048 -17.911  -1.495
  870    QB   ALA  85           QB       ALA  85  -9.084 -16.995  -1.936
   
  Start of MODEL           4
 Raw file had 870 H/Q atoms
  Start of MODEL    4
    1    H    MET   1           HN       MET   1  -5.862  -2.469  10.368
    2    HA   MET   1           HA       MET   1  -3.626  -2.979   8.754
    3   1HB   MET   1          2HB       MET   1  -6.586  -2.962   8.062
    4   2HB   MET   1          3HB       MET   1  -5.333  -3.610   7.015
    5   1HG   MET   1          2HG       MET   1  -6.318  -4.643   9.653
    6   2HG   MET   1          3HG       MET   1  -6.059  -5.501   8.159
    7   1HE   MET   1          2HE       MET   1  -3.359  -5.017   7.177
    8   2HE   MET   1          3HE       MET   1  -2.324  -6.174   8.008
    9   3HE   MET   1          1HE       MET   1  -3.913  -6.678   7.432
   10    QB   MET   1           QB       MET   1  -5.959  -3.286   7.539
   11    QG   MET   1           QG       MET   1  -6.189  -5.072   8.906
   12    QE   MET   1           QE       MET   1  -3.199  -5.956   7.539
   13    H    GLN   2           HN       GLN   2  -2.996  -0.529   8.999
   14    HA   GLN   2           HA       GLN   2  -4.185   1.198   7.021
   15   1HB   GLN   2          2HB       GLN   2  -1.712   1.718   8.649
   16   2HB   GLN   2          3HB       GLN   2  -2.811   2.875   7.938
   17   1HG   GLN   2          2HG       GLN   2  -3.231   1.143  10.350
   18   2HG   GLN   2          3HG       GLN   2  -3.463   2.874  10.184
   19   1HE2  GLN   2          2HE2      GLN   2  -6.746   2.525   8.750
   20   2HE2  GLN   2          1HE2      GLN   2  -5.395   3.549   8.772
   21    QB   GLN   2           QB       GLN   2  -2.262   2.297   8.293
   22    QG   GLN   2           QG       GLN   2  -3.347   2.008  10.267
   23    QE2  GLN   2           QE2      GLN   2  -6.070   3.037   8.761
   24    H    THR   3           HN       THR   3  -3.634   0.366   4.953
   25    HA   THR   3           HA       THR   3  -0.841  -0.398   4.414
   26    HB   THR   3           HB       THR   3  -3.301  -0.221   2.623
   27    HG1  THR   3          1HG       THR   3  -3.532  -2.101   3.562
   28   1HG2  THR   3          3HG2      THR   3  -1.089   0.011   1.337
   29   2HG2  THR   3          1HG2      THR   3  -0.572  -1.503   2.071
   30   3HG2  THR   3          2HG2      THR   3  -1.951  -1.477   0.977
   31    QG2  THR   3           QG2      THR   3  -1.204  -0.989   1.462
   32    H    VAL   4           HN       VAL   4   0.669   0.979   3.797
   33    HA   VAL   4           HA       VAL   4  -0.185   3.630   2.698
   34    HB   VAL   4           HB       VAL   4   2.254   3.049   4.407
   35   1HG1  VAL   4          1HG1      VAL   4   0.970   5.642   3.497
   36   2HG1  VAL   4          2HG1      VAL   4   2.340   5.522   4.594
   37   3HG1  VAL   4          3HG1      VAL   4   2.506   4.994   2.924
   38   1HG2  VAL   4          2HG2      VAL   4  -0.395   4.326   5.176
   39   2HG2  VAL   4          3HG2      VAL   4   0.167   2.748   5.717
   40   3HG2  VAL   4          1HG2      VAL   4   1.020   4.206   6.217
   41    QG1  VAL   4           QG1      VAL   4   1.938   5.386   3.672
   42    QG2  VAL   4           QG2      VAL   4   0.264   3.760   5.703
   43    QQG  VAL   4           QQG      VAL   4   1.101   4.573   4.687
   44    H    ILE   5           HN       ILE   5   0.607   4.185   0.793
   45    HA   ILE   5           HA       ILE   5   2.942   2.654  -0.324
   46    HB   ILE   5           HB       ILE   5   0.708   4.199  -1.712
   47   1HG1  ILE   5          2HG1      ILE   5   0.298   2.161  -2.944
   48   2HG1  ILE   5          3HG1      ILE   5   1.683   1.381  -2.207
   49   1HG2  ILE   5          2HG2      ILE   5   3.274   3.075  -2.901
   50   2HG2  ILE   5          3HG2      ILE   5   1.912   3.665  -3.850
   51   3HG2  ILE   5          1HG2      ILE   5   2.824   4.773  -2.831
   52   1HD1  ILE   5          1HD1      ILE   5  -0.768   2.348  -0.671
   53   2HD1  ILE   5          2HD1      ILE   5  -0.491   0.679  -1.165
   54   3HD1  ILE   5          3HD1      ILE   5   0.585   1.437  -0.002
   55    QG1  ILE   5           QG1      ILE   5   0.991   1.771  -2.575
   56    QG2  ILE   5           QG2      ILE   5   2.670   3.838  -3.194
   57    QD1  ILE   5           QD1      ILE   5  -0.225   1.488  -0.613
   58    H    PHE   6           HN       PHE   6   4.791   3.785  -0.159
   59    HA   PHE   6           HA       PHE   6   4.674   6.762   0.049
   60   1HB   PHE   6          2HB       PHE   6   6.748   4.680   0.807
   61   2HB   PHE   6          3HB       PHE   6   7.208   6.362   0.604
   62    HD1  PHE   6          1HD       PHE   6   5.672   8.107   1.902
   63    HD2  PHE   6          2HD       PHE   6   6.031   3.985   2.941
   64    HE1  PHE   6          1HE       PHE   6   4.997   8.631   4.196
   65    HE2  PHE   6          2HE       PHE   6   5.363   4.515   5.247
   66    HZ   PHE   6           HZ       PHE   6   4.838   6.827   5.879
   67    QB   PHE   6           QB       PHE   6   6.978   5.521   0.706
   68    QR   PHE   6           QR       PHE   6   5.516   6.310   3.571
   69    H    GLY   7           HN       GLY   7   4.660   7.543  -1.990
   70   1HA   GLY   7          1HA       GLY   7   6.726   6.459  -3.885
   71   2HA   GLY   7          2HA       GLY   7   5.119   6.916  -4.445
   72    QA   GLY   7           QA       GLY   7   5.923   6.688  -4.165
   73    NH1  ARG   8           NH2      ARG   8   9.853  12.883  -2.799
   74    NH2  ARG   8           NH1      ARG   8  11.633  13.175  -4.206
   75    H    ARG   8           HN       ARG   8   5.118   8.855  -5.408
   76    HA   ARG   8           HA       ARG   8   6.737  10.994  -4.176
   77   1HB   ARG   8          2HB       ARG   8   8.039   9.907  -6.080
   78   2HB   ARG   8          3HB       ARG   8   6.781  10.443  -7.173
   79   1HG   ARG   8          2HG       ARG   8   8.931  11.910  -6.912
   80   2HG   ARG   8          3HG       ARG   8   7.374  12.724  -6.941
   81   1HD   ARG   8          2HD       ARG   8   7.458  13.266  -4.690
   82   2HD   ARG   8          3HD       ARG   8   8.361  11.813  -4.278
   83    HE   ARG   8           HE       ARG   8   9.764  14.035  -5.681
   84   1HH1  ARG   8          2HH2      ARG   8   8.846  12.867  -2.668
   85   2HH1  ARG   8          1HH2      ARG   8  10.447  12.657  -2.030
   86   1HH2  ARG   8          2HH1      ARG   8  11.974  13.362  -5.127
   87   2HH2  ARG   8          1HH1      ARG   8  12.279  12.981  -3.467
   88    QB   ARG   8           QB       ARG   8   7.410  10.175  -6.627
   89    QG   ARG   8           QG       ARG   8   8.153  12.317  -6.926
   90    QD   ARG   8           QD       ARG   8   7.909  12.539  -4.484
   91    QH1  ARG   8           QH2      ARG   8   9.647  12.762  -2.349
   92    QH2  ARG   8           QH1      ARG   8  12.126  13.172  -4.297
   93    H    SER   9           HN       SER   9   5.678  11.878  -7.159
   94    HA   SER   9           HA       SER   9   3.185  13.075  -6.025
   95   1HB   SER   9          2HB       SER   9   3.625  14.752  -7.982
   96   2HB   SER   9          3HB       SER   9   4.746  14.829  -6.610
   97    HG   SER   9           HG       SER   9   6.260  14.210  -7.925
   98    QB   SER   9           QB       SER   9   4.185  14.790  -7.296
   99    H    GLY  10           HN       GLY  10   4.423  12.665  -9.272
  100   1HA   GLY  10          1HA       GLY  10   1.962  11.095  -9.998
  101   2HA   GLY  10          2HA       GLY  10   2.810  12.170 -11.114
  102    QA   GLY  10           QA       GLY  10   2.386  11.632 -10.556
  103    H    CYS  11           HN       CYS  11   3.550   9.481  -8.945
  104    HA   CYS  11           HA       CYS  11   5.571   8.509 -10.895
  105   1HB   CYS  11          2HB       CYS  11   6.232   8.829  -8.543
  106   2HB   CYS  11          3HB       CYS  11   5.009   7.694  -8.045
  107    HG   CYS  11           HG       CYS  11   7.767   6.981  -9.151
  108    QB   CYS  11           QB       CYS  11   5.621   8.262  -8.294
  109    HA   PRO  12           HA       PRO  12   1.927   6.133 -12.087
  110   1HB   PRO  12          2HB       PRO  12   3.194   4.761 -14.177
  111   2HB   PRO  12          3HB       PRO  12   2.401   6.335 -14.320
  112   1HG   PRO  12          2HG       PRO  12   5.331   5.710 -14.041
  113   2HG   PRO  12          3HG       PRO  12   4.548   6.998 -14.967
  114   1HD   PRO  12          2HD       PRO  12   5.771   7.447 -12.557
  115   2HD   PRO  12          3HD       PRO  12   4.373   8.404 -13.099
  116    QB   PRO  12           QB       PRO  12   2.798   5.548 -14.249
  117    QG   PRO  12           QG       PRO  12   4.939   6.354 -14.504
  118    QD   PRO  12           QD       PRO  12   5.072   7.926 -12.828
  119    OH   TYR  13           OH       TYR  13   7.358  -2.976 -10.461
  120    H    TYR  13           HN       TYR  13   5.070   4.835 -11.289
  121    HA   TYR  13           HA       TYR  13   4.216   2.050 -11.247
  122   1HB   TYR  13          2HB       TYR  13   6.648   3.045 -11.403
  123   2HB   TYR  13          3HB       TYR  13   6.564   3.073  -9.645
  124    HD1  TYR  13           HD2      TYR  13   5.755   0.737 -12.475
  125    HD2  TYR  13           HD1      TYR  13   7.281   1.127  -8.520
  126    HE1  TYR  13           HE2      TYR  13   6.253  -1.659 -12.426
  127    HE2  TYR  13           HE1      TYR  13   7.819  -1.262  -8.495
  128    HH   TYR  13           HH       TYR  13   7.503  -3.274  -9.558
  129    QB   TYR  13           QB       TYR  13   6.606   3.059 -10.524
  130    QR   TYR  13           QR       TYR  13   6.777  -0.264 -10.479
  131    H    CYS  14           HN       CYS  14   3.596   4.623  -9.145
  132    HA   CYS  14           HA       CYS  14   3.213   2.792  -6.813
  133   1HB   CYS  14          2HB       CYS  14   2.610   5.727  -6.711
  134   2HB   CYS  14          3HB       CYS  14   3.126   4.657  -5.433
  135    HG   CYS  14           HG       CYS  14   5.045   6.009  -7.456
  136    QB   CYS  14           QB       CYS  14   2.868   5.192  -6.072
  137    H    VAL  15           HN       VAL  15   1.639   5.001  -9.015
  138    HA   VAL  15           HA       VAL  15  -0.955   5.125  -8.115
  139    HB   VAL  15           HB       VAL  15  -0.149   4.514 -10.988
  140   1HG1  VAL  15          3HG1      VAL  15  -2.633   5.851  -9.836
  141   2HG1  VAL  15          1HG1      VAL  15  -2.269   5.685 -11.552
  142   3HG1  VAL  15          2HG1      VAL  15  -2.585   4.256 -10.575
  143   1HG2  VAL  15          2HG2      VAL  15  -0.515   7.162  -9.517
  144   2HG2  VAL  15          3HG2      VAL  15   1.024   6.489 -10.040
  145   3HG2  VAL  15          1HG2      VAL  15  -0.166   6.989 -11.235
  146    QG1  VAL  15           QG1      VAL  15  -2.496   5.264 -10.654
  147    QG2  VAL  15           QG2      VAL  15   0.114   6.880 -10.264
  148    QQG  VAL  15           QQG      VAL  15  -1.191   6.072 -10.459
  149    NH1  ARG  16           NH1      ARG  16  -4.496  -1.069 -10.777
  150    NH2  ARG  16           NH2      ARG  16  -3.651  -1.837  -8.831
  151    H    ARG  16           HN       ARG  16   0.582   2.267  -9.571
  152    HA   ARG  16           HA       ARG  16  -1.883   0.731  -9.583
  153   1HB   ARG  16          2HB       ARG  16   1.023  -0.009  -9.837
  154   2HB   ARG  16          3HB       ARG  16  -0.167  -1.263  -9.556
  155   1HG   ARG  16          2HG       ARG  16  -0.209   0.716 -11.847
  156   2HG   ARG  16          3HG       ARG  16   0.224  -0.981 -11.964
  157   1HD   ARG  16          2HD       ARG  16  -2.487   0.258 -11.556
  158   2HD   ARG  16          3HD       ARG  16  -2.014  -1.044 -12.637
  159    HE   ARG  16           HE       ARG  16  -1.755  -2.413 -10.377
  160   1HH1  ARG  16          2HH1      ARG  16  -4.366  -0.865 -11.747
  161   2HH1  ARG  16          1HH1      ARG  16  -5.397  -0.938 -10.351
  162   1HH2  ARG  16          2HH2      ARG  16  -2.883  -2.208  -8.320
  163   2HH2  ARG  16          1HH2      ARG  16  -4.541  -1.699  -8.382
  164    QB   ARG  16           QB       ARG  16   0.428  -0.636  -9.697
  165    QG   ARG  16           QG       ARG  16   0.007  -0.132 -11.905
  166    QD   ARG  16           QD       ARG  16  -2.250  -0.393 -12.096
  167    QH1  ARG  16           QH1      ARG  16  -4.881  -0.902 -11.049
  168    QH2  ARG  16           QH2      ARG  16  -3.712  -1.954  -8.351
  169    H    ALA  17           HN       ALA  17   0.941   0.578  -7.380
  170    HA   ALA  17           HA       ALA  17  -0.121  -1.248  -5.509
  171   1HB   ALA  17          3HB       ALA  17   1.502   1.257  -4.910
  172   2HB   ALA  17          1HB       ALA  17   1.310  -0.118  -3.826
  173   3HB   ALA  17          2HB       ALA  17   2.173  -0.308  -5.347
  174    QB   ALA  17           QB       ALA  17   1.662   0.277  -4.694
  175    H    LYS  18           HN       LYS  18  -0.512   2.203  -5.783
  176    HA   LYS  18           HA       LYS  18  -2.271   2.621  -3.587
  177   1HB   LYS  18          2HB       LYS  18  -1.458   4.616  -4.522
  178   2HB   LYS  18          3HB       LYS  18  -1.737   4.074  -6.170
  179   1HG   LYS  18          2HG       LYS  18  -4.219   4.288  -4.561
  180   2HG   LYS  18          3HG       LYS  18  -3.379   5.816  -4.763
  181   1HD   LYS  18          2HD       LYS  18  -3.471   5.667  -7.156
  182   2HD   LYS  18          3HD       LYS  18  -3.927   3.975  -7.117
  183   1HE   LYS  18          2HE       LYS  18  -5.631   6.251  -6.046
  184   2HE   LYS  18          3HE       LYS  18  -5.863   5.473  -7.608
  185   1HZ   LYS  18          3HZ       LYS  18  -5.734   3.440  -5.721
  186   2HZ   LYS  18          1HZ       LYS  18  -6.739   4.640  -5.057
  187   3HZ   LYS  18          2HZ       LYS  18  -7.118   3.967  -6.578
  188    QB   LYS  18           QB       LYS  18  -1.597   4.345  -5.346
  189    QG   LYS  18           QG       LYS  18  -3.799   5.052  -4.662
  190    QD   LYS  18           QD       LYS  18  -3.699   4.821  -7.136
  191    QE   LYS  18           QE       LYS  18  -5.747   5.862  -6.827
  192    QZ   LYS  18           QZ       LYS  18  -6.531   4.016  -5.785
  193    H    ASP  19           HN       ASP  19  -3.021   1.965  -7.032
  194    HA   ASP  19           HA       ASP  19  -5.857   1.884  -6.658
  195   1HB   ASP  19          2HB       ASP  19  -4.991   1.957  -8.905
  196   2HB   ASP  19          3HB       ASP  19  -4.142   0.439  -8.681
  197    QB   ASP  19           QB       ASP  19  -4.567   1.198  -8.793
  198    H    LEU  20           HN       LEU  20  -3.511  -0.806  -6.566
  199    HA   LEU  20           HA       LEU  20  -5.487  -2.822  -6.065
  200   1HB   LEU  20          2HB       LEU  20  -3.245  -3.538  -6.701
  201   2HB   LEU  20          3HB       LEU  20  -2.550  -2.754  -5.291
  202    HG   LEU  20           HG       LEU  20  -3.746  -4.314  -3.796
  203   1HD1  LEU  20          3HD1      LEU  20  -4.787  -5.574  -6.359
  204   2HD1  LEU  20          1HD1      LEU  20  -5.018  -6.203  -4.733
  205   3HD1  LEU  20          2HD1      LEU  20  -5.762  -4.681  -5.195
  206   1HD2  LEU  20          2HD2      LEU  20  -1.529  -4.971  -4.695
  207   2HD2  LEU  20          3HD2      LEU  20  -2.553  -6.380  -4.436
  208   3HD2  LEU  20          1HD2      LEU  20  -2.317  -5.745  -6.064
  209    QB   LEU  20           QB       LEU  20  -2.898  -3.146  -5.996
  210    QD1  LEU  20           QD1      LEU  20  -5.189  -5.486  -5.429
  211    QD2  LEU  20           QD2      LEU  20  -2.133  -5.699  -5.065
  212    QQD  LEU  20           QQD      LEU  20  -3.661  -5.592  -5.247
  213    H    ALA  21           HN       ALA  21  -3.316  -1.147  -3.777
  214    HA   ALA  21           HA       ALA  21  -4.438  -2.236  -1.414
  215   1HB   ALA  21          1HB       ALA  21  -2.371  -0.845  -1.460
  216   2HB   ALA  21          2HB       ALA  21  -3.332   0.571  -1.874
  217   3HB   ALA  21          3HB       ALA  21  -3.529  -0.201  -0.306
  218    QB   ALA  21           QB       ALA  21  -3.077  -0.158  -1.213
  219    H    GLU  22           HN       GLU  22  -5.245   0.741  -3.163
  220    HA   GLU  22           HA       GLU  22  -7.453   1.624  -1.716
  221   1HB   GLU  22          2HB       GLU  22  -6.706   2.909  -3.627
  222   2HB   GLU  22          3HB       GLU  22  -7.014   1.571  -4.713
  223   1HG   GLU  22          2HG       GLU  22  -9.441   1.731  -4.276
  224   2HG   GLU  22          3HG       GLU  22  -9.158   3.048  -3.144
  225    QB   GLU  22           QB       GLU  22  -6.860   2.240  -4.170
  226    QG   GLU  22           QG       GLU  22  -9.299   2.390  -3.710
  227    H    LYS  23           HN       LYS  23  -7.418  -0.702  -4.340
  228    HA   LYS  23           HA       LYS  23 -10.148  -1.355  -4.396
  229   1HB   LYS  23          2HB       LYS  23  -7.729  -2.392  -5.476
  230   2HB   LYS  23          3HB       LYS  23  -8.456  -3.736  -4.615
  231   1HG   LYS  23          2HG       LYS  23  -9.497  -3.973  -6.669
  232   2HG   LYS  23          3HG       LYS  23 -10.665  -2.927  -5.876
  233   1HD   LYS  23          2HD       LYS  23  -8.344  -1.862  -7.547
  234   2HD   LYS  23          3HD       LYS  23  -9.928  -2.202  -8.230
  235   1HE   LYS  23          2HE       LYS  23 -10.983  -0.505  -6.919
  236   2HE   LYS  23          3HE       LYS  23  -9.598  -0.361  -5.853
  237   1HZ   LYS  23          2HZ       LYS  23  -8.586   0.192  -8.325
  238   2HZ   LYS  23          3HZ       LYS  23 -10.087   0.991  -8.266
  239   3HZ   LYS  23          1HZ       LYS  23  -8.926   1.308  -7.070
  240    QB   LYS  23           QB       LYS  23  -8.092  -3.064  -5.046
  241    QG   LYS  23           QG       LYS  23 -10.081  -3.450  -6.272
  242    QD   LYS  23           QD       LYS  23  -9.136  -2.032  -7.889
  243    QE   LYS  23           QE       LYS  23 -10.291  -0.433  -6.386
  244    QZ   LYS  23           QZ       LYS  23  -9.200   0.830  -7.887
  245    H    LEU  24           HN       LEU  24  -7.652  -3.155  -2.598
  246    HA   LEU  24           HA       LEU  24  -9.356  -4.741  -1.020
  247   1HB   LEU  24          2HB       LEU  24  -6.878  -3.305  -0.007
  248   2HB   LEU  24          3HB       LEU  24  -7.587  -4.749   0.691
  249    HG   LEU  24           HG       LEU  24  -6.527  -4.595  -2.155
  250   1HD1  LEU  24          3HD1      LEU  24  -5.227  -5.639   0.379
  251   2HD1  LEU  24          1HD1      LEU  24  -4.574  -5.825  -1.242
  252   3HD1  LEU  24          2HD1      LEU  24  -4.717  -4.227  -0.526
  253   1HD2  LEU  24          2HD2      LEU  24  -8.204  -6.395  -1.708
  254   2HD2  LEU  24          3HD2      LEU  24  -6.605  -7.051  -2.034
  255   3HD2  LEU  24          1HD2      LEU  24  -7.202  -6.971  -0.381
  256    QB   LEU  24           QB       LEU  24  -7.233  -4.027   0.342
  257    QD1  LEU  24           QD1      LEU  24  -4.839  -5.230  -0.463
  258    QD2  LEU  24           QD2      LEU  24  -7.337  -6.806  -1.374
  259    QQD  LEU  24           QQD      LEU  24  -6.088  -6.018  -0.919
  260    H    SER  25           HN       SER  25  -8.114  -1.562  -0.279
  261    HA   SER  25           HA       SER  25  -9.485  -0.901   2.045
  262   1HB   SER  25          2HB       SER  25  -7.658   0.416   0.886
  263   2HB   SER  25          3HB       SER  25  -8.894   1.018  -0.220
  264    HG   SER  25           HG       SER  25 -10.082   1.548   1.837
  265    QB   SER  25           QB       SER  25  -8.276   0.717   0.333
  266    H    ASN  26           HN       ASN  26 -10.651  -0.811  -1.210
  267    HA   ASN  26           HA       ASN  26 -13.318   0.272  -0.360
  268   1HB   ASN  26          2HB       ASN  26 -12.061   1.634  -2.013
  269   2HB   ASN  26          3HB       ASN  26 -11.832   0.226  -3.019
  270   1HD2  ASN  26          2HD2      ASN  26 -15.726   1.454  -2.936
  271   2HD2  ASN  26          1HD2      ASN  26 -14.933   1.176  -1.462
  272    QB   ASN  26           QB       ASN  26 -11.947   0.930  -2.516
  273    QD2  ASN  26           QD2      ASN  26 -15.330   1.315  -2.199
  274    H    GLU  27           HN       GLU  27 -12.193  -2.502  -0.271
  275    HA   GLU  27           HA       GLU  27 -14.296  -3.875  -1.907
  276   1HB   GLU  27          2HB       GLU  27 -12.232  -4.144  -3.058
  277   2HB   GLU  27          3HB       GLU  27 -11.346  -4.354  -1.570
  278   1HG   GLU  27          2HG       GLU  27 -12.701  -6.565  -1.305
  279   2HG   GLU  27          3HG       GLU  27 -13.047  -6.359  -3.019
  280    QB   GLU  27           QB       GLU  27 -11.789  -4.249  -2.314
  281    QG   GLU  27           QG       GLU  27 -12.874  -6.462  -2.162
  282    NH1  ARG  28           NH1      ARG  28 -11.671  -9.905   3.357
  283    NH2  ARG  28           NH2      ARG  28 -10.212 -10.663   1.809
  284    H    ARG  28           HN       ARG  28 -12.004  -4.226   0.759
  285    HA   ARG  28           HA       ARG  28 -13.864  -6.183   2.047
  286   1HB   ARG  28          2HB       ARG  28 -10.931  -5.827   2.686
  287   2HB   ARG  28          3HB       ARG  28 -11.966  -7.204   3.005
  288   1HG   ARG  28          2HG       ARG  28 -12.106  -7.730   0.620
  289   2HG   ARG  28          3HG       ARG  28 -11.161  -6.297   0.224
  290   1HD   ARG  28          2HD       ARG  28  -9.915  -8.579   0.393
  291   2HD   ARG  28          3HD       ARG  28  -9.190  -7.180   1.191
  292    HE   ARG  28           HE       ARG  28  -9.860  -8.066   3.343
  293   1HH1  ARG  28          2HH1      ARG  28 -11.999  -9.151   3.942
  294   2HH1  ARG  28          1HH1      ARG  28 -12.107 -10.810   3.398
  295   1HH2  ARG  28          2HH2      ARG  28  -9.399 -10.523   1.236
  296   2HH2  ARG  28          1HH2      ARG  28 -10.683 -11.551   1.799
  297    QB   ARG  28           QB       ARG  28 -11.449  -6.515   2.846
  298    QG   ARG  28           QG       ARG  28 -11.633  -7.014   0.422
  299    QD   ARG  28           QD       ARG  28  -9.552  -7.879   0.792
  300    QH1  ARG  28           QH1      ARG  28 -12.053  -9.980   3.670
  301    QH2  ARG  28           QH2      ARG  28 -10.041 -11.037   1.518
  302    H    ASP  29           HN       ASP  29 -14.672  -5.624   4.058
  303    HA   ASP  29           HA       ASP  29 -13.977  -2.948   5.047
  304   1HB   ASP  29          2HB       ASP  29 -16.007  -5.028   5.861
  305   2HB   ASP  29          3HB       ASP  29 -15.708  -3.609   6.863
  306    QB   ASP  29           QB       ASP  29 -15.858  -4.318   6.362
  307    H    ASP  30           HN       ASP  30 -11.938  -4.890   5.075
  308    HA   ASP  30           HA       ASP  30 -11.195  -4.801   7.963
  309   1HB   ASP  30          2HB       ASP  30  -9.827  -6.900   7.486
  310   2HB   ASP  30          3HB       ASP  30 -11.566  -7.146   7.471
  311    QB   ASP  30           QB       ASP  30 -10.696  -7.023   7.479
  312    H    PHE  31           HN       PHE  31 -10.660  -3.704   4.901
  313    HA   PHE  31           HA       PHE  31  -7.776  -3.171   5.486
  314   1HB   PHE  31          2HB       PHE  31  -8.300  -4.925   3.716
  315   2HB   PHE  31          3HB       PHE  31  -9.010  -3.640   2.761
  316    HD1  PHE  31          1HD       PHE  31  -7.505  -1.609   2.199
  317    HD2  PHE  31          2HD       PHE  31  -5.959  -5.287   3.678
  318    HE1  PHE  31          1HE       PHE  31  -5.342  -1.117   1.165
  319    HE2  PHE  31          2HE       PHE  31  -3.786  -4.772   2.664
  320    HZ   PHE  31           HZ       PHE  31  -3.490  -2.707   1.390
  321    QB   PHE  31           QB       PHE  31  -8.655  -4.283   3.238
  322    QR   PHE  31           QR       PHE  31  -5.648  -3.196   2.427
  323    H    GLN  32           HN       GLN  32  -7.041  -1.144   5.150
  324    HA   GLN  32           HA       GLN  32  -8.698   0.824   3.671
  325   1HB   GLN  32          2HB       GLN  32  -7.671   1.121   6.505
  326   2HB   GLN  32          3HB       GLN  32  -8.063   2.515   5.513
  327   1HG   GLN  32          2HG       GLN  32 -10.058   0.278   5.980
  328   2HG   GLN  32          3HG       GLN  32  -9.948   1.676   7.042
  329   1HE2  GLN  32          2HE2      GLN  32 -11.727   2.055   3.416
  330   2HE2  GLN  32          1HE2      GLN  32 -11.039   0.572   3.906
  331    QB   GLN  32           QB       GLN  32  -7.867   1.818   6.009
  332    QG   GLN  32           QG       GLN  32 -10.003   0.977   6.511
  333    QE2  GLN  32           QE2      GLN  32 -11.383   1.314   3.661
  334    OH   TYR  33           OH       TYR  33  -6.764   5.594  -3.071
  335    H    TYR  33           HN       TYR  33  -7.399   2.255   2.495
  336    HA   TYR  33           HA       TYR  33  -4.440   1.989   2.995
  337   1HB   TYR  33          2HB       TYR  33  -3.990   1.644   0.766
  338   2HB   TYR  33          3HB       TYR  33  -5.600   0.943   0.814
  339    HD1  TYR  33           HD1      TYR  33  -7.563   2.883   0.490
  340    HD2  TYR  33           HD2      TYR  33  -3.572   3.143  -0.963
  341    HE1  TYR  33           HE1      TYR  33  -8.293   4.479  -1.219
  342    HE2  TYR  33           HE2      TYR  33  -4.296   4.785  -2.623
  343    HH   TYR  33           HH       TYR  33  -7.696   5.402  -3.280
  344    QB   TYR  33           QB       TYR  33  -4.795   1.293   0.790
  345    QR   TYR  33           QR       TYR  33  -5.931   3.823  -1.079
  346    H    GLN  34           HN       GLN  34  -3.097   3.618   2.263
  347    HA   GLN  34           HA       GLN  34  -4.235   6.244   1.552
  348   1HB   GLN  34          2HB       GLN  34  -3.668   5.786   4.224
  349   2HB   GLN  34          3HB       GLN  34  -2.154   6.477   3.649
  350   1HG   GLN  34          2HG       GLN  34  -3.817   8.211   2.454
  351   2HG   GLN  34          3HG       GLN  34  -4.898   7.706   3.747
  352   1HE2  GLN  34          2HE2      GLN  34  -1.626   9.982   4.614
  353   2HE2  GLN  34          1HE2      GLN  34  -1.784   9.291   3.067
  354    QB   GLN  34           QB       GLN  34  -2.911   6.131   3.936
  355    QG   GLN  34           QG       GLN  34  -4.358   7.959   3.100
  356    QE2  GLN  34           QE2      GLN  34  -1.705   9.637   3.840
  357    OH   TYR  35           OH       TYR  35   3.503   9.246  -4.302
  358    H    TYR  35           HN       TYR  35  -2.757   7.589   0.520
  359    HA   TYR  35           HA       TYR  35  -0.185   6.268  -0.261
  360   1HB   TYR  35          2HB       TYR  35  -1.595   6.494  -2.224
  361   2HB   TYR  35          3HB       TYR  35  -2.009   8.159  -1.804
  362    HD1  TYR  35           HD2      TYR  35   0.889   5.978  -2.643
  363    HD2  TYR  35           HD1      TYR  35  -0.627   9.950  -2.589
  364    HE1  TYR  35           HE2      TYR  35   2.950   6.773  -3.685
  365    HE2  TYR  35           HE1      TYR  35   1.448  10.750  -3.639
  366    HH   TYR  35           HH       TYR  35   3.780  10.062  -3.841
  367    QB   TYR  35           QB       TYR  35  -1.802   7.327  -2.014
  368    QR   TYR  35           QR       TYR  35   1.165   8.363  -3.139
  369    H    VAL  36           HN       VAL  36   1.688   7.534  -0.161
  370    HA   VAL  36           HA       VAL  36   1.367  10.373   0.696
  371    HB   VAL  36           HB       VAL  36   3.496   8.807   2.071
  372   1HG1  VAL  36          2HG1      VAL  36   1.528  10.938   2.984
  373   2HG1  VAL  36          3HG1      VAL  36   2.864  10.307   3.941
  374   3HG1  VAL  36          1HG1      VAL  36   3.195  11.216   2.474
  375   1HG2  VAL  36          1HG2      VAL  36   0.579   8.555   2.881
  376   2HG2  VAL  36          2HG2      VAL  36   1.605   7.255   2.281
  377   3HG2  VAL  36          3HG2      VAL  36   1.956   8.008   3.832
  378    QG1  VAL  36           QG1      VAL  36   2.529  10.820   3.133
  379    QG2  VAL  36           QG2      VAL  36   1.380   7.939   2.998
  380    QQG  VAL  36           QQG      VAL  36   1.954   9.380   3.065
  381    H    ASP  37           HN       ASP  37   3.389  11.535   0.627
  382    HA   ASP  37           HA       ASP  37   5.333  10.551  -1.443
  383   1HB   ASP  37          2HB       ASP  37   3.833  12.441  -2.233
  384   2HB   ASP  37          3HB       ASP  37   4.414  13.407  -0.892
  385    QB   ASP  37           QB       ASP  37   4.123  12.924  -1.562
  386    H    ILE  38           HN       ILE  38   7.328  10.320  -0.435
  387    HA   ILE  38           HA       ILE  38   7.801  10.970   2.258
  388    HB   ILE  38           HB       ILE  38  10.192  10.681   1.784
  389   1HG1  ILE  38          2HG1      ILE  38   9.484  10.590  -1.166
  390   2HG1  ILE  38          3HG1      ILE  38  10.076  12.050  -0.376
  391   1HG2  ILE  38          1HG2      ILE  38   8.688   8.692   1.846
  392   2HG2  ILE  38          2HG2      ILE  38   8.440   8.831   0.109
  393   3HG2  ILE  38          3HG2      ILE  38  10.032   8.432   0.740
  394   1HD1  ILE  38          1HD1      ILE  38  12.111  10.839   0.370
  395   2HD1  ILE  38          2HD1      ILE  38  11.522   9.379  -0.420
  396   3HD1  ILE  38          3HD1      ILE  38  11.958  10.781  -1.387
  397    QG1  ILE  38           QG1      ILE  38   9.780  11.320  -0.771
  398    QG2  ILE  38           QG2      ILE  38   9.053   8.652   0.898
  399    QD1  ILE  38           QD1      ILE  38  11.864  10.333  -0.479
  400    NH1  ARG  39           NH1      ARG  39   5.492  16.085  -1.644
  401    NH2  ARG  39           NH2      ARG  39   6.067  16.471  -3.809
  402    H    ARG  39           HN       ARG  39   7.621  13.096  -0.413
  403    HA   ARG  39           HA       ARG  39   9.149  15.238   0.998
  404   1HB   ARG  39          2HB       ARG  39   9.453  14.832  -1.473
  405   2HB   ARG  39          3HB       ARG  39   7.780  15.266  -1.721
  406   1HG   ARG  39          2HG       ARG  39   8.763  17.451  -0.287
  407   2HG   ARG  39          3HG       ARG  39  10.138  16.988  -1.272
  408   1HD   ARG  39          2HD       ARG  39   8.837  18.556  -2.579
  409   2HD   ARG  39          3HD       ARG  39   8.580  16.959  -3.285
  410    HE   ARG  39           HE       ARG  39   6.569  18.517  -1.725
  411   1HH1  ARG  39          2HH1      ARG  39   5.544  16.372  -0.680
  412   2HH1  ARG  39          1HH1      ARG  39   4.970  15.260  -1.904
  413   1HH2  ARG  39          2HH2      ARG  39   6.548  17.040  -4.474
  414   2HH2  ARG  39          1HH2      ARG  39   5.537  15.669  -4.114
  415    QB   ARG  39           QB       ARG  39   8.616  15.049  -1.597
  416    QG   ARG  39           QG       ARG  39   9.451  17.219  -0.779
  417    QD   ARG  39           QD       ARG  39   8.709  17.758  -2.932
  418    QH1  ARG  39           QH1      ARG  39   5.257  15.816  -1.292
  419    QH2  ARG  39           QH2      ARG  39   6.043  16.355  -4.294
  420    H    ALA  40           HN       ALA  40   6.468  14.087   1.777
  421    HA   ALA  40           HA       ALA  40   4.857  16.622   1.777
  422   1HB   ALA  40          1HB       ALA  40   4.030  13.761   2.417
  423   2HB   ALA  40          2HB       ALA  40   2.957  15.156   2.405
  424   3HB   ALA  40          3HB       ALA  40   3.684  14.597   0.905
  425    QB   ALA  40           QB       ALA  40   3.557  14.505   1.909
  426    H    GLU  41           HN       GLU  41   6.013  13.958   3.718
  427    HA   GLU  41           HA       GLU  41   5.536  15.440   6.251
  428   1HB   GLU  41          2HB       GLU  41   7.091  12.908   6.356
  429   2HB   GLU  41          3HB       GLU  41   5.721  13.403   7.329
  430   1HG   GLU  41          2HG       GLU  41   4.868  11.579   6.121
  431   2HG   GLU  41          3HG       GLU  41   4.306  12.949   5.174
  432    QB   GLU  41           QB       GLU  41   6.406  13.155   6.843
  433    QG   GLU  41           QG       GLU  41   4.587  12.264   5.647
  434    H    GLY  42           HN       GLY  42   8.049  14.032   4.256
  435   1HA   GLY  42          1HA       GLY  42  10.138  15.294   3.814
  436   2HA   GLY  42          2HA       GLY  42  10.060  15.905   5.469
  437    QA   GLY  42           QA       GLY  42  10.099  15.599   4.642
  438    H    ILE  43           HN       ILE  43   9.848  12.750   3.897
  439    HA   ILE  43           HA       ILE  43  11.462  11.561   6.089
  440    HB   ILE  43           HB       ILE  43   9.820  10.329   3.842
  441   1HG1  ILE  43          2HG1      ILE  43   9.226  10.454   6.817
  442   2HG1  ILE  43          3HG1      ILE  43   8.587  11.611   5.661
  443   1HG2  ILE  43          3HG2      ILE  43  11.157   9.047   6.233
  444   2HG2  ILE  43          1HG2      ILE  43  10.058   8.232   5.138
  445   3HG2  ILE  43          2HG2      ILE  43  11.608   8.811   4.553
  446   1HD1  ILE  43          1HD1      ILE  43   7.544   9.728   4.384
  447   2HD1  ILE  43          2HD1      ILE  43   8.102   8.606   5.620
  448   3HD1  ILE  43          3HD1      ILE  43   6.932   9.854   6.026
  449    QG1  ILE  43           QG1      ILE  43   8.907  11.032   6.239
  450    QG2  ILE  43           QG2      ILE  43  10.941   8.697   5.308
  451    QD1  ILE  43           QD1      ILE  43   7.526   9.396   5.343
  452    H    THR  44           HN       THR  44  13.305  10.322   5.690
  453    HA   THR  44           HA       THR  44  14.594  10.725   3.018
  454    HB   THR  44           HB       THR  44  16.775  10.780   4.232
  455    HG1  THR  44          1HG       THR  44  16.787   9.947   6.138
  456   1HG2  THR  44          2HG2      THR  44  15.450  12.956   4.164
  457   2HG2  THR  44          3HG2      THR  44  14.740  12.514   5.712
  458   3HG2  THR  44          1HG2      THR  44  16.472  12.818   5.591
  459    QG2  THR  44           QG2      THR  44  15.554  12.763   5.156
  460    H    LYS  45           HN       LYS  45  16.691   8.941   3.205
  461    HA   LYS  45           HA       LYS  45  15.277   6.390   2.873
  462   1HB   LYS  45          2HB       LYS  45  17.219   7.107   1.439
  463   2HB   LYS  45          3HB       LYS  45  18.268   6.976   2.840
  464   1HG   LYS  45          2HG       LYS  45  17.235   4.509   2.968
  465   2HG   LYS  45          3HG       LYS  45  16.877   4.805   1.280
  466   1HD   LYS  45          2HD       LYS  45  19.031   3.718   1.368
  467   2HD   LYS  45          3HD       LYS  45  19.303   5.397   0.923
  468   1HE   LYS  45          2HE       LYS  45  20.908   4.609   2.670
  469   2HE   LYS  45          3HE       LYS  45  19.928   5.952   3.233
  470   1HZ   LYS  45          3HZ       LYS  45  18.646   3.459   3.766
  471   2HZ   LYS  45          1HZ       LYS  45  20.194   3.479   4.455
  472   3HZ   LYS  45          2HZ       LYS  45  19.075   4.690   4.841
  473    QB   LYS  45           QB       LYS  45  17.744   7.042   2.139
  474    QG   LYS  45           QG       LYS  45  17.056   4.657   2.124
  475    QD   LYS  45           QD       LYS  45  19.167   4.557   1.146
  476    QE   LYS  45           QE       LYS  45  20.418   5.281   2.951
  477    QZ   LYS  45           QZ       LYS  45  19.305   3.876   4.354
  478    H    GLU  46           HN       GLU  46  17.170   7.905   5.335
  479    HA   GLU  46           HA       GLU  46  17.862   5.478   6.784
  480   1HB   GLU  46          2HB       GLU  46  17.699   8.358   7.759
  481   2HB   GLU  46          3HB       GLU  46  18.482   7.037   8.610
  482   1HG   GLU  46          2HG       GLU  46  20.179   8.339   7.424
  483   2HG   GLU  46          3HG       GLU  46  20.049   6.757   6.671
  484    QB   GLU  46           QB       GLU  46  18.091   7.697   8.185
  485    QG   GLU  46           QG       GLU  46  20.114   7.548   7.047
  486    H    ASP  47           HN       ASP  47  15.572   8.128   7.366
  487    HA   ASP  47           HA       ASP  47  14.157   7.085   9.549
  488   1HB   ASP  47          2HB       ASP  47  13.853   9.366   8.498
  489   2HB   ASP  47          3HB       ASP  47  12.986   8.602   7.170
  490    QB   ASP  47           QB       ASP  47  13.420   8.984   7.834
  491    H    LEU  48           HN       LEU  48  13.647   6.496   6.121
  492    HA   LEU  48           HA       LEU  48  11.444   4.632   6.530
  493   1HB   LEU  48          2HB       LEU  48  12.967   5.808   4.272
  494   2HB   LEU  48          3HB       LEU  48  12.411   4.176   3.958
  495    HG   LEU  48           HG       LEU  48  10.583   6.329   5.087
  496   1HD1  LEU  48          1HD1      LEU  48  11.017   5.558   2.182
  497   2HD1  LEU  48          2HD1      LEU  48   9.756   6.639   2.765
  498   3HD1  LEU  48          3HD1      LEU  48  11.449   7.102   2.906
  499   1HD2  LEU  48          2HD2      LEU  48   9.846   3.966   5.340
  500   2HD2  LEU  48          3HD2      LEU  48   8.816   4.835   4.208
  501   3HD2  LEU  48          1HD2      LEU  48  10.043   3.729   3.608
  502    QB   LEU  48           QB       LEU  48  12.689   4.992   4.115
  503    QD1  LEU  48           QD1      LEU  48  10.741   6.433   2.618
  504    QD2  LEU  48           QD2      LEU  48   9.568   4.177   4.386
  505    QQD  LEU  48           QQD      LEU  48  10.155   5.305   3.502
  506    H    GLN  49           HN       GLN  49  14.930   4.250   5.937
  507    HA   GLN  49           HA       GLN  49  14.927   1.432   5.570
  508   1HB   GLN  49          2HB       GLN  49  16.951   2.777   5.254
  509   2HB   GLN  49          3HB       GLN  49  16.954   3.242   6.947
  510   1HG   GLN  49          2HG       GLN  49  17.868   1.249   7.625
  511   2HG   GLN  49          3HG       GLN  49  16.946   0.308   6.458
  512   1HE2  GLN  49          1HE2      GLN  49  19.827  -0.069   4.508
  513   2HE2  GLN  49          2HE2      GLN  49  18.430  -0.760   5.199
  514    QB   GLN  49           QB       GLN  49  16.953   3.009   6.100
  515    QG   GLN  49           QG       GLN  49  17.407   0.778   7.041
  516    QE2  GLN  49           QE2      GLN  49  19.129  -0.414   4.853
  517    H    GLN  50           HN       GLN  50  15.136   3.394   8.466
  518    HA   GLN  50           HA       GLN  50  15.224   1.467  10.495
  519   1HB   GLN  50          2HB       GLN  50  15.180   4.120  10.578
  520   2HB   GLN  50          3HB       GLN  50  13.450   3.907  10.735
  521   1HG   GLN  50          2HG       GLN  50  15.098   2.203  12.541
  522   2HG   GLN  50          3HG       GLN  50  15.110   3.925  12.882
  523   1HE2  GLN  50          2HE2      GLN  50  11.790   1.753  13.717
  524   2HE2  GLN  50          1HE2      GLN  50  13.102   1.036  12.912
  525    QB   GLN  50           QB       GLN  50  14.315   4.014  10.656
  526    QG   GLN  50           QG       GLN  50  15.104   3.064  12.712
  527    QE2  GLN  50           QE2      GLN  50  12.446   1.395  13.315
  528    H    LYS  51           HN       LYS  51  12.585   2.502   8.555
  529    HA   LYS  51           HA       LYS  51  10.532   1.088  10.130
  530   1HB   LYS  51          2HB       LYS  51  10.496   2.705   7.560
  531   2HB   LYS  51          3HB       LYS  51   9.055   2.012   8.261
  532   1HG   LYS  51          2HG       LYS  51   9.368   3.303  10.312
  533   2HG   LYS  51          3HG       LYS  51  10.905   3.918   9.717
  534   1HD   LYS  51          2HD       LYS  51   9.725   4.993   7.801
  535   2HD   LYS  51          3HD       LYS  51   8.196   4.365   8.400
  536   1HE   LYS  51          2HE       LYS  51   8.582   6.742   9.057
  537   2HE   LYS  51          3HE       LYS  51   8.408   5.677  10.446
  538   1HZ   LYS  51          3HZ       LYS  51  11.124   5.761   9.688
  539   2HZ   LYS  51          1HZ       LYS  51  10.555   7.353   9.798
  540   3HZ   LYS  51          2HZ       LYS  51  10.415   6.325  11.131
  541    QB   LYS  51           QB       LYS  51   9.775   2.359   7.911
  542    QG   LYS  51           QG       LYS  51  10.136   3.610  10.015
  543    QD   LYS  51           QD       LYS  51   8.960   4.679   8.100
  544    QE   LYS  51           QE       LYS  51   8.495   6.210   9.751
  545    QZ   LYS  51           QZ       LYS  51  10.698   6.480  10.206
  546    H    ALA  52           HN       ALA  52  11.607   0.996   6.794
  547    HA   ALA  52           HA       ALA  52  10.201  -1.189   5.825
  548   1HB   ALA  52          3HB       ALA  52  12.988  -0.200   5.140
  549   2HB   ALA  52          1HB       ALA  52  12.072  -1.334   4.156
  550   3HB   ALA  52          2HB       ALA  52  11.478   0.305   4.386
  551    QB   ALA  52           QB       ALA  52  12.179  -0.410   4.561
  552    H    GLY  53           HN       GLY  53  13.178  -1.119   7.686
  553   1HA   GLY  53          1HA       GLY  53  14.294  -2.900   8.790
  554   2HA   GLY  53          2HA       GLY  53  12.820  -3.860   8.561
  555    QA   GLY  53           QA       GLY  53  13.557  -3.380   8.675
  556    H    LYS  54           HN       LYS  54  14.383  -2.210   6.036
  557    HA   LYS  54           HA       LYS  54  15.531  -4.695   4.872
  558   1HB   LYS  54          2HB       LYS  54  13.713  -2.659   3.504
  559   2HB   LYS  54          3HB       LYS  54  14.665  -3.828   2.615
  560   1HG   LYS  54          2HG       LYS  54  12.616  -4.572   4.729
  561   2HG   LYS  54          3HG       LYS  54  12.283  -4.559   3.005
  562   1HD   LYS  54          2HD       LYS  54  14.430  -6.128   2.903
  563   2HD   LYS  54          3HD       LYS  54  14.064  -6.388   4.603
  564   1HE   LYS  54          2HE       LYS  54  12.957  -8.120   3.315
  565   2HE   LYS  54          3HE       LYS  54  11.730  -7.039   3.965
  566   1HZ   LYS  54          3HZ       LYS  54  12.518  -6.016   1.481
  567   2HZ   LYS  54          1HZ       LYS  54  12.261  -7.682   1.275
  568   3HZ   LYS  54          2HZ       LYS  54  11.016  -6.704   1.891
  569    QB   LYS  54           QB       LYS  54  14.189  -3.243   3.059
  570    QG   LYS  54           QG       LYS  54  12.450  -4.566   3.867
  571    QD   LYS  54           QD       LYS  54  14.247  -6.258   3.753
  572    QE   LYS  54           QE       LYS  54  12.343  -7.579   3.640
  573    QZ   LYS  54           QZ       LYS  54  11.932  -6.801   1.549
  574    HA   PRO  55           HA       PRO  55  17.699  -1.019   3.018
  575   1HB   PRO  55          2HB       PRO  55  18.427  -1.973   0.545
  576   2HB   PRO  55          3HB       PRO  55  19.412  -2.210   1.994
  577   1HG   PRO  55          2HG       PRO  55  17.636  -4.165   0.568
  578   2HG   PRO  55          3HG       PRO  55  19.119  -4.475   1.478
  579   1HD   PRO  55          2HD       PRO  55  16.490  -4.878   2.430
  580   2HD   PRO  55          3HD       PRO  55  17.947  -4.798   3.444
  581    QB   PRO  55           QB       PRO  55  18.920  -2.091   1.270
  582    QG   PRO  55           QG       PRO  55  18.378  -4.320   1.023
  583    QD   PRO  55           QD       PRO  55  17.219  -4.838   2.937
  584    H    VAL  56           HN       VAL  56  16.756   0.554   1.745
  585    HA   VAL  56           HA       VAL  56  14.374  -0.188   0.149
  586    HB   VAL  56           HB       VAL  56  13.593   2.117   0.719
  587   1HG1  VAL  56          2HG1      VAL  56  14.116   0.275   3.073
  588   2HG1  VAL  56          3HG1      VAL  56  12.903   1.550   3.023
  589   3HG1  VAL  56          1HG1      VAL  56  12.755   0.152   1.959
  590   1HG2  VAL  56          2HG2      VAL  56  15.917   2.011   2.643
  591   2HG2  VAL  56          3HG2      VAL  56  15.769   3.085   1.257
  592   3HG2  VAL  56          1HG2      VAL  56  14.672   3.253   2.625
  593    QG1  VAL  56           QG1      VAL  56  13.258   0.659   2.685
  594    QG2  VAL  56           QG2      VAL  56  15.453   2.783   2.175
  595    QQG  VAL  56           QQG      VAL  56  14.355   1.721   2.430
  596    H    GLU  57           HN       GLU  57  14.032   1.267  -1.711
  597    HA   GLU  57           HA       GLU  57  16.673   2.173  -2.808
  598   1HB   GLU  57          2HB       GLU  57  14.071   1.386  -4.166
  599   2HB   GLU  57          3HB       GLU  57  15.369   2.192  -5.031
  600   1HG   GLU  57          2HG       GLU  57  16.929   0.354  -4.440
  601   2HG   GLU  57          3HG       GLU  57  15.645  -0.454  -3.554
  602    QB   GLU  57           QB       GLU  57  14.720   1.789  -4.599
  603    QG   GLU  57           QG       GLU  57  16.287  -0.050  -3.997
  604    H    THR  58           HN       THR  58  14.003   3.499  -4.432
  605    HA   THR  58           HA       THR  58  14.328   6.068  -2.944
  606    HB   THR  58           HB       THR  58  13.929   7.175  -5.220
  607    HG1  THR  58          1HG       THR  58  14.662   5.035  -6.644
  608   1HG2  THR  58          1HG2      THR  58  16.250   5.173  -5.154
  609   2HG2  THR  58          2HG2      THR  58  16.170   6.635  -6.132
  610   3HG2  THR  58          3HG2      THR  58  16.297   6.754  -4.382
  611    QG2  THR  58           QG2      THR  58  16.239   6.187  -5.223
  612    H    VAL  59           HN       VAL  59  12.242   4.990  -5.477
  613    HA   VAL  59           HA       VAL  59   9.898   4.904  -3.677
  614    HB   VAL  59           HB       VAL  59   8.604   6.338  -5.405
  615   1HG1  VAL  59          3HG1      VAL  59   9.267   7.207  -3.177
  616   2HG1  VAL  59          1HG1      VAL  59  10.832   7.678  -3.826
  617   3HG1  VAL  59          2HG1      VAL  59   9.367   8.468  -4.400
  618   1HG2  VAL  59          1HG2      VAL  59  10.344   6.218  -7.195
  619   2HG2  VAL  59          2HG2      VAL  59   9.981   7.887  -6.766
  620   3HG2  VAL  59          3HG2      VAL  59  11.449   7.122  -6.167
  621    QG1  VAL  59           QG1      VAL  59   9.822   7.784  -3.801
  622    QG2  VAL  59           QG2      VAL  59  10.591   7.076  -6.709
  623    QQG  VAL  59           QQG      VAL  59  10.207   7.430  -5.255
  624    HA   PRO  60           HA       PRO  60   8.026   4.421  -3.691
  625   1HB   PRO  60          2HB       PRO  60   5.782   2.856  -4.129
  626   2HB   PRO  60          3HB       PRO  60   6.056   4.430  -4.872
  627   1HG   PRO  60          2HG       PRO  60   6.020   1.810  -6.169
  628   2HG   PRO  60          3HG       PRO  60   6.187   3.392  -6.936
  629   1HD   PRO  60          2HD       PRO  60   8.308   1.430  -6.200
  630   2HD   PRO  60          3HD       PRO  60   8.387   2.762  -7.377
  631    QB   PRO  60           QB       PRO  60   5.919   3.643  -4.501
  632    QG   PRO  60           QG       PRO  60   6.103   2.601  -6.553
  633    QD   PRO  60           QD       PRO  60   8.348   2.096  -6.789
  634    H    GLN  61           HN       GLN  61   7.397   3.474  -1.698
  635    HA   GLN  61           HA       GLN  61   8.186   0.591  -1.313
  636   1HB   GLN  61          2HB       GLN  61   8.435   2.916   0.642
  637   2HB   GLN  61          3HB       GLN  61   8.768   1.244   1.053
  638   1HG   GLN  61          2HG       GLN  61  10.217   2.622  -1.225
  639   2HG   GLN  61          3HG       GLN  61  10.782   2.754   0.431
  640   1HE2  GLN  61          2HE2      GLN  61  10.708  -1.183  -0.377
  641   2HE2  GLN  61          1HE2      GLN  61   9.288  -0.300  -0.119
  642    QB   GLN  61           QB       GLN  61   8.601   2.080   0.847
  643    QG   GLN  61           QG       GLN  61  10.500   2.688  -0.397
  644    QE2  GLN  61           QE2      GLN  61   9.998  -0.741  -0.248
  645    H    ILE  62           HN       ILE  62   6.769  -0.619   0.080
  646    HA   ILE  62           HA       ILE  62   4.216   0.793   0.751
  647    HB   ILE  62           HB       ILE  62   4.537  -2.046  -0.276
  648   1HG1  ILE  62          2HG1      ILE  62   3.556   0.492  -1.651
  649   2HG1  ILE  62          3HG1      ILE  62   5.106  -0.281  -1.947
  650   1HG2  ILE  62          1HG2      ILE  62   2.073  -0.318   0.214
  651   2HG2  ILE  62          2HG2      ILE  62   2.056  -1.930  -0.487
  652   3HG2  ILE  62          3HG2      ILE  62   2.550  -1.707   1.182
  653   1HD1  ILE  62          2HD1      ILE  62   3.943  -2.341  -2.629
  654   2HD1  ILE  62          3HD1      ILE  62   2.390  -1.536  -2.402
  655   3HD1  ILE  62          1HD1      ILE  62   3.506  -0.970  -3.637
  656    QG1  ILE  62           QG1      ILE  62   4.331   0.106  -1.799
  657    QG2  ILE  62           QG2      ILE  62   2.226  -1.318   0.303
  658    QD1  ILE  62           QD1      ILE  62   3.279  -1.616  -2.889
  659    H    PHE  63           HN       PHE  63   3.212   0.346   2.503
  660    HA   PHE  63           HA       PHE  63   4.428  -1.599   4.449
  661   1HB   PHE  63          2HB       PHE  63   3.533   1.258   4.851
  662   2HB   PHE  63          3HB       PHE  63   3.534   0.135   6.203
  663    HD1  PHE  63          2HD       PHE  63   5.760   1.518   3.518
  664    HD2  PHE  63          1HD       PHE  63   5.525  -0.326   7.350
  665    HE1  PHE  63          2HE       PHE  63   8.188   1.813   3.818
  666    HE2  PHE  63          1HE       PHE  63   7.936  -0.016   7.655
  667    HZ   PHE  63           HZ       PHE  63   9.266   1.084   5.899
  668    QB   PHE  63           QB       PHE  63   3.534   0.697   5.527
  669    QR   PHE  63           QR       PHE  63   6.852   0.747   5.585
  670    H    VAL  64           HN       VAL  64   3.005  -2.734   5.724
  671    HA   VAL  64           HA       VAL  64   0.092  -2.424   5.091
  672    HB   VAL  64           HB       VAL  64   1.721  -4.934   5.657
  673   1HG1  VAL  64          2HG1      VAL  64  -0.515  -5.078   6.750
  674   2HG1  VAL  64          3HG1      VAL  64  -1.282  -4.662   5.218
  675   3HG1  VAL  64          1HG1      VAL  64  -0.400  -6.174   5.388
  676   1HG2  VAL  64          3HG2      VAL  64   0.099  -3.999   3.255
  677   2HG2  VAL  64          1HG2      VAL  64   1.854  -4.038   3.350
  678   3HG2  VAL  64          2HG2      VAL  64   0.941  -5.541   3.373
  679    QG1  VAL  64           QG1      VAL  64  -0.732  -5.304   5.785
  680    QG2  VAL  64           QG2      VAL  64   0.965  -4.526   3.326
  681    QQG  VAL  64           QQG      VAL  64   0.116  -4.915   4.556
  682    H    ASP  65           HN       ASP  65  -0.243  -1.046   6.807
  683    HA   ASP  65           HA       ASP  65  -0.962  -0.581   8.976
  684   1HB   ASP  65          2HB       ASP  65  -1.686  -3.111   8.808
  685   2HB   ASP  65          3HB       ASP  65  -0.309  -3.398   9.846
  686    QB   ASP  65           QB       ASP  65  -0.997  -3.254   9.327
  687    H    GLN  66           HN       GLN  66   1.398  -3.027   9.635
  688    HA   GLN  66           HA       GLN  66   3.267  -0.954  10.630
  689   1HB   GLN  66          2HB       GLN  66   1.902  -2.070  12.499
  690   2HB   GLN  66          3HB       GLN  66   2.798  -3.542  12.133
  691   1HG   GLN  66          2HG       GLN  66   4.936  -2.358  12.537
  692   2HG   GLN  66          3HG       GLN  66   4.056  -0.871  12.876
  693   1HE2  GLN  66          2HE2      GLN  66   3.094  -1.885  16.133
  694   2HE2  GLN  66          1HE2      GLN  66   2.787  -0.790  14.873
  695    QB   GLN  66           QB       GLN  66   2.350  -2.806  12.316
  696    QG   GLN  66           QG       GLN  66   4.496  -1.614  12.707
  697    QE2  GLN  66           QE2      GLN  66   2.941  -1.337  15.503
  698    H    GLN  67           HN       GLN  67   2.822  -3.966   8.977
  699    HA   GLN  67           HA       GLN  67   5.700  -4.611   9.184
  700   1HB   GLN  67          2HB       GLN  67   3.242  -6.025   8.272
  701   2HB   GLN  67          3HB       GLN  67   4.715  -6.429   7.413
  702   1HG   GLN  67          2HG       GLN  67   4.384  -6.519  10.437
  703   2HG   GLN  67          3HG       GLN  67   4.365  -7.923   9.373
  704   1HE2  GLN  67          2HE2      GLN  67   7.871  -6.890  10.739
  705   2HE2  GLN  67          1HE2      GLN  67   6.371  -6.692  11.509
  706    QB   GLN  67           QB       GLN  67   3.979  -6.227   7.842
  707    QG   GLN  67           QG       GLN  67   4.374  -7.221   9.905
  708    QE2  GLN  67           QE2      GLN  67   7.121  -6.791  11.124
  709    H    HIS  68           HN       HIS  68   6.964  -4.960   7.272
  710    HA   HIS  68           HA       HIS  68   6.292  -2.965   5.149
  711   1HB   HIS  68          2HB       HIS  68   8.421  -2.646   6.385
  712   2HB   HIS  68          3HB       HIS  68   8.927  -4.250   5.929
  713    HD1  HIS  68           HD1      HIS  68  10.868  -3.560   4.552
  714    HD2  HIS  68           HD2      HIS  68   7.482  -1.596   3.315
  715    HE1  HIS  68           HE1      HIS  68  11.400  -2.561   2.284
  716    QB   HIS  68           QB       HIS  68   8.674  -3.448   6.157
  717    H    ILE  69           HN       ILE  69   6.214  -3.634   2.997
  718    HA   ILE  69           HA       ILE  69   6.434  -6.604   2.588
  719    HB   ILE  69           HB       ILE  69   4.937  -4.699   0.762
  720   1HG1  ILE  69          2HG1      ILE  69   3.943  -4.462   3.008
  721   2HG1  ILE  69          3HG1      ILE  69   2.860  -5.325   1.932
  722   1HG2  ILE  69          3HG2      ILE  69   4.810  -7.694   1.270
  723   2HG2  ILE  69          1HG2      ILE  69   3.736  -6.822   0.190
  724   3HG2  ILE  69          2HG2      ILE  69   5.455  -6.900  -0.154
  725   1HD1  ILE  69          3HD1      ILE  69   4.699  -6.628   3.972
  726   2HD1  ILE  69          1HD1      ILE  69   2.964  -6.420   4.147
  727   3HD1  ILE  69          2HD1      ILE  69   3.597  -7.479   2.902
  728    QG1  ILE  69           QG1      ILE  69   3.402  -4.894   2.470
  729    QG2  ILE  69           QG2      ILE  69   4.667  -7.139   0.435
  730    QD1  ILE  69           QD1      ILE  69   3.753  -6.842   3.674
  731    H    GLY  70           HN       GLY  70   7.001  -3.482   1.086
  732   1HA   GLY  70          1HA       GLY  70   9.450  -3.408   0.199
  733   2HA   GLY  70          2HA       GLY  70   8.926  -4.749  -0.811
  734    QA   GLY  70           QA       GLY  70   9.188  -4.079  -0.306
  735    H    GLY  71           HN       GLY  71   8.153  -4.191  -2.781
  736   1HA   GLY  71          1HA       GLY  71   7.133  -1.387  -3.147
  737   2HA   GLY  71          2HA       GLY  71   8.065  -2.244  -4.371
  738    QA   GLY  71           QA       GLY  71   7.599  -1.815  -3.759
  739    OH   TYR  72           OH       TYR  72  -0.955  -3.819  -9.370
  740    H    TYR  72           HN       TYR  72   5.971  -1.469  -5.510
  741    HA   TYR  72           HA       TYR  72   3.458  -2.585  -5.123
  742   1HB   TYR  72          2HB       TYR  72   3.926  -0.983  -6.953
  743   2HB   TYR  72          3HB       TYR  72   4.800  -2.234  -7.830
  744    HD1  TYR  72           HD2      TYR  72   1.603  -2.488  -5.881
  745    HD2  TYR  72           HD1      TYR  72   3.441  -2.755  -9.712
  746    HE1  TYR  72           HE2      TYR  72  -0.512  -3.260  -6.837
  747    HE2  TYR  72           HE1      TYR  72   1.329  -3.560 -10.658
  748    HH   TYR  72           HH       TYR  72  -0.861  -4.738  -9.663
  749    QB   TYR  72           QB       TYR  72   4.363  -1.608  -7.392
  750    QR   TYR  72           QR       TYR  72   1.465  -3.016  -8.272
  751    H    THR  73           HN       THR  73   6.117  -4.124  -6.910
  752    HA   THR  73           HA       THR  73   4.809  -6.469  -7.716
  753    HB   THR  73           HB       THR  73   7.373  -7.367  -7.082
  754    HG1  THR  73          1HG       THR  73   8.003  -5.483  -6.073
  755   1HG2  THR  73          1HG2      THR  73   6.710  -5.409  -9.338
  756   2HG2  THR  73          2HG2      THR  73   8.080  -6.513  -9.303
  757   3HG2  THR  73          3HG2      THR  73   6.441  -7.147  -9.426
  758    QG2  THR  73           QG2      THR  73   7.077  -6.356  -9.355
  759    H    ASP  74           HN       ASP  74   6.577  -5.905  -4.770
  760    HA   ASP  74           HA       ASP  74   6.139  -8.377  -3.462
  761   1HB   ASP  74          2HB       ASP  74   6.384  -5.707  -2.038
  762   2HB   ASP  74          3HB       ASP  74   6.925  -7.280  -1.483
  763    QB   ASP  74           QB       ASP  74   6.654  -6.493  -1.761
  764    H    PHE  75           HN       PHE  75   4.481  -5.286  -3.092
  765    HA   PHE  75           HA       PHE  75   2.522  -6.196  -1.232
  766   1HB   PHE  75          2HB       PHE  75   3.016  -3.835  -1.594
  767   2HB   PHE  75          3HB       PHE  75   2.386  -3.928  -3.236
  768    HD1  PHE  75          2HD       PHE  75   1.440  -4.246   0.344
  769    HD2  PHE  75          1HD       PHE  75   0.044  -3.809  -3.646
  770    HE1  PHE  75          2HE       PHE  75  -0.826  -3.805   1.192
  771    HE2  PHE  75          1HE       PHE  75  -2.217  -3.360  -2.803
  772    HZ   PHE  75           HZ       PHE  75  -2.651  -3.369  -0.387
  773    QB   PHE  75           QB       PHE  75   2.701  -3.881  -2.415
  774    QR   PHE  75           QR       PHE  75  -0.390  -3.805  -1.228
  775    H    ALA  76           HN       ALA  76   2.345  -5.994  -4.791
  776    HA   ALA  76           HA       ALA  76  -0.368  -6.820  -5.019
  777   1HB   ALA  76          1HB       ALA  76   0.988  -5.909  -6.915
  778   2HB   ALA  76          2HB       ALA  76   1.929  -7.395  -6.929
  779   3HB   ALA  76          3HB       ALA  76   0.214  -7.435  -7.336
  780    QB   ALA  76           QB       ALA  76   1.044  -6.913  -7.060
  781    H    ALA  77           HN       ALA  77   2.609  -8.749  -5.374
  782    HA   ALA  77           HA       ALA  77   1.244 -11.277  -5.459
  783   1HB   ALA  77          1HB       ALA  77   4.051 -10.626  -4.439
  784   2HB   ALA  77          2HB       ALA  77   3.464 -12.243  -4.831
  785   3HB   ALA  77          3HB       ALA  77   3.639 -11.036  -6.102
  786    QB   ALA  77           QB       ALA  77   3.718 -11.302  -5.124
  787    CH2  TRP  78           CH2      TRP  78  -0.878  -7.268   3.175
  788    H    TRP  78           HN       TRP  78   2.903  -9.663  -2.761
  789    HA   TRP  78           HA       TRP  78   2.329 -11.404  -0.679
  790   1HB   TRP  78          2HB       TRP  78   3.636  -9.424  -0.329
  791   2HB   TRP  78          3HB       TRP  78   2.318  -8.399  -0.788
  792    HD1  TRP  78           HD1      TRP  78   3.561 -10.449   2.234
  793    HE1  TRP  78           HE1      TRP  78   2.260  -9.776   4.263
  794    HE3  TRP  78           HE3      TRP  78   0.311  -7.427   0.002
  795    HZ2  TRP  78           HZ2      TRP  78  -0.012  -8.222   4.883
  796    HZ3  TRP  78           HZ3      TRP  78  -1.515  -6.406   1.332
  797    HH2  TRP  78           HH2      TRP  78  -1.679  -6.814   3.740
  798    QB   TRP  78           QB       TRP  78   2.977  -8.912  -0.558
  799    H    VAL  79           HN       VAL  79   0.207  -8.739  -1.720
  800    HA   VAL  79           HA       VAL  79  -1.921  -9.025   0.014
  801    HB   VAL  79           HB       VAL  79  -1.784  -8.341  -2.932
  802   1HG1  VAL  79          3HG1      VAL  79  -4.338  -8.453  -1.275
  803   2HG1  VAL  79          1HG1      VAL  79  -4.199  -7.743  -2.877
  804   3HG1  VAL  79          2HG1      VAL  79  -3.980  -9.469  -2.666
  805   1HG2  VAL  79          3HG2      VAL  79  -2.634  -6.789  -0.459
  806   2HG2  VAL  79          1HG2      VAL  79  -1.090  -6.636  -1.277
  807   3HG2  VAL  79          2HG2      VAL  79  -2.562  -6.134  -2.089
  808    QG1  VAL  79           QG1      VAL  79  -4.172  -8.555  -2.272
  809    QG2  VAL  79           QG2      VAL  79  -2.095  -6.520  -1.275
  810    QQG  VAL  79           QQG      VAL  79  -3.134  -7.537  -1.774
  811    H    LYS  80           HN       LYS  80  -1.672 -10.636  -3.089
  812    HA   LYS  80           HA       LYS  80  -3.899 -12.235  -3.065
  813   1HB   LYS  80          2HB       LYS  80  -2.342 -12.006  -4.956
  814   2HB   LYS  80          3HB       LYS  80  -1.126 -12.904  -4.073
  815   1HG   LYS  80          2HG       LYS  80  -2.273 -14.302  -5.765
  816   2HG   LYS  80          3HG       LYS  80  -2.432 -14.918  -4.148
  817   1HD   LYS  80          2HD       LYS  80  -4.732 -13.645  -4.131
  818   2HD   LYS  80          3HD       LYS  80  -4.540 -13.659  -5.879
  819   1HE   LYS  80          2HE       LYS  80  -5.759 -15.668  -5.253
  820   2HE   LYS  80          3HE       LYS  80  -4.136 -16.159  -5.735
  821   1HZ   LYS  80          1HZ       LYS  80  -4.301 -15.510  -2.959
  822   2HZ   LYS  80          2HZ       LYS  80  -5.387 -16.741  -3.357
  823   3HZ   LYS  80          3HZ       LYS  80  -3.697 -16.914  -3.676
  824    QB   LYS  80           QB       LYS  80  -1.734 -12.455  -4.514
  825    QG   LYS  80           QG       LYS  80  -2.353 -14.610  -4.957
  826    QD   LYS  80           QD       LYS  80  -4.636 -13.652  -5.005
  827    QE   LYS  80           QE       LYS  80  -4.948 -15.914  -5.494
  828    QZ   LYS  80           QZ       LYS  80  -4.462 -16.388  -3.331
  829    H    GLU  81           HN       GLU  81  -1.053 -12.952  -1.079
  830    HA   GLU  81           HA       GLU  81  -2.354 -15.561  -0.367
  831   1HB   GLU  81          2HB       GLU  81   0.483 -14.623  -0.453
  832   2HB   GLU  81          3HB       GLU  81   0.071 -15.806   0.779
  833   1HG   GLU  81          2HG       GLU  81   0.848 -16.835  -1.396
  834   2HG   GLU  81          3HG       GLU  81  -0.758 -17.368  -0.913
  835    QB   GLU  81           QB       GLU  81   0.277 -15.214   0.163
  836    QG   GLU  81           QG       GLU  81   0.045 -17.102  -1.155
  837    H    ASN  82           HN       ASN  82  -2.387 -12.549   0.783
  838    HA   ASN  82           HA       ASN  82  -2.445 -13.483   3.638
  839   1HB   ASN  82          2HB       ASN  82  -1.615 -10.798   2.490
  840   2HB   ASN  82          3HB       ASN  82  -1.930 -11.064   4.205
  841   1HD2  ASN  82          2HD2      ASN  82   1.389 -12.745   2.505
  842   2HD2  ASN  82          1HD2      ASN  82   0.155 -12.139   1.510
  843    QB   ASN  82           QB       ASN  82  -1.772 -10.931   3.348
  844    QD2  ASN  82           QD2      ASN  82   0.772 -12.442   2.007
  845    H    LEU  83           HN       LEU  83  -4.003 -11.592   1.145
  846    HA   LEU  83           HA       LEU  83  -6.326 -11.177   3.009
  847   1HB   LEU  83          2HB       LEU  83  -5.580  -9.589   0.540
  848   2HB   LEU  83          3HB       LEU  83  -6.855  -9.193   1.684
  849    HG   LEU  83           HG       LEU  83  -3.896  -9.363   2.393
  850   1HD1  LEU  83          1HD1      LEU  83  -4.387  -7.476   0.884
  851   2HD1  LEU  83          2HD1      LEU  83  -5.677  -6.947   1.959
  852   3HD1  LEU  83          3HD1      LEU  83  -4.001  -6.912   2.504
  853   1HD2  LEU  83          1HD2      LEU  83  -6.316  -8.371   3.955
  854   2HD2  LEU  83          2HD2      LEU  83  -5.362  -9.808   4.317
  855   3HD2  LEU  83          3HD2      LEU  83  -4.644  -8.214   4.481
  856    QB   LEU  83           QB       LEU  83  -6.218  -9.391   1.112
  857    QD1  LEU  83           QD1      LEU  83  -4.688  -7.111   1.782
  858    QD2  LEU  83           QD2      LEU  83  -5.441  -8.798   4.251
  859    QQD  LEU  83           QQD      LEU  83  -5.065  -7.955   3.016
  860    H    ASP  84           HN       ASP  84  -5.746 -13.490   1.190
  861    HA   ASP  84           HA       ASP  84  -7.795 -13.231  -0.904
  862   1HB   ASP  84          2HB       ASP  84  -5.456 -14.675  -0.707
  863   2HB   ASP  84          3HB       ASP  84  -6.647 -15.911  -0.359
  864    QB   ASP  84           QB       ASP  84  -6.052 -15.293  -0.533
  865    H    ALA  85           HN       ALA  85  -9.059 -12.845   1.464
  866    HA   ALA  85           HA       ALA  85 -10.652 -15.351   1.737
  867   1HB   ALA  85          3HB       ALA  85  -9.108 -15.246   3.654
  868   2HB   ALA  85          1HB       ALA  85  -9.697 -13.634   4.054
  869   3HB   ALA  85          2HB       ALA  85 -10.771 -15.020   4.187
  870    QB   ALA  85           QB       ALA  85  -9.858 -14.633   3.965
   
  Start of MODEL           5
 Raw file had 870 H/Q atoms
  Start of MODEL    5
    1    H    MET   1           HN       MET   1  -8.188  -3.871   9.306
    2    HA   MET   1           HA       MET   1  -6.101  -3.138   9.855
    3   1HB   MET   1          2HB       MET   1  -4.173  -4.004   8.438
    4   2HB   MET   1          3HB       MET   1  -5.231  -5.262   9.056
    5   1HG   MET   1          2HG       MET   1  -6.169  -5.698   6.991
    6   2HG   MET   1          3HG       MET   1  -5.898  -4.084   6.390
    7   1HE   MET   1          2HE       MET   1  -4.519  -3.612   4.574
    8   2HE   MET   1          3HE       MET   1  -3.425  -3.171   5.891
    9   3HE   MET   1          1HE       MET   1  -2.819  -4.062   4.494
   10    QB   MET   1           QB       MET   1  -4.702  -4.633   8.747
   11    QG   MET   1           QG       MET   1  -6.033  -4.891   6.691
   12    QE   MET   1           QE       MET   1  -3.587  -3.615   4.986
   13    H    GLN   2           HN       GLN   2  -4.168  -1.762   8.872
   14    HA   GLN   2           HA       GLN   2  -5.329   0.128   6.935
   15   1HB   GLN   2          2HB       GLN   2  -4.947   1.089   9.082
   16   2HB   GLN   2          3HB       GLN   2  -3.330   0.391   9.167
   17   1HG   GLN   2          2HG       GLN   2  -3.196   2.698   8.580
   18   2HG   GLN   2          3HG       GLN   2  -2.672   1.756   7.206
   19   1HE2  GLN   2          2HE2      GLN   2  -4.978   3.593   5.231
   20   2HE2  GLN   2          1HE2      GLN   2  -3.399   2.964   5.368
   21    QB   GLN   2           QB       GLN   2  -4.138   0.740   9.125
   22    QG   GLN   2           QG       GLN   2  -2.934   2.227   7.893
   23    QE2  GLN   2           QE2      GLN   2  -4.188   3.279   5.300
   24    H    THR   3           HN       THR   3  -4.160   0.643   5.109
   25    HA   THR   3           HA       THR   3  -1.544  -0.785   4.737
   26    HB   THR   3           HB       THR   3  -3.320   0.020   2.409
   27    HG1  THR   3          1HG       THR   3  -4.729  -0.995   3.768
   28   1HG2  THR   3          1HG2      THR   3  -1.052  -1.177   2.136
   29   2HG2  THR   3          2HG2      THR   3  -1.749  -2.521   3.034
   30   3HG2  THR   3          3HG2      THR   3  -2.424  -2.056   1.480
   31    QG2  THR   3           QG2      THR   3  -1.742  -1.918   2.217
   32    H    VAL   4           HN       VAL   4   0.150   0.401   3.664
   33    HA   VAL   4           HA       VAL   4  -0.481   3.264   3.098
   34    HB   VAL   4           HB       VAL   4   1.897   2.354   4.744
   35   1HG1  VAL   4          3HG1      VAL   4   0.724   5.101   4.156
   36   2HG1  VAL   4          1HG1      VAL   4   2.098   4.793   5.211
   37   3HG1  VAL   4          2HG1      VAL   4   2.223   4.466   3.488
   38   1HG2  VAL   4          2HG2      VAL   4  -0.204   2.001   6.018
   39   2HG2  VAL   4          3HG2      VAL   4   0.733   3.329   6.694
   40   3HG2  VAL   4          1HG2      VAL   4  -0.675   3.664   5.694
   41    QG1  VAL   4           QG1      VAL   4   1.681   4.787   4.285
   42    QG2  VAL   4           QG2      VAL   4  -0.049   2.998   6.135
   43    QQG  VAL   4           QQG      VAL   4   0.816   3.892   5.210
   44    H    ILE   5           HN       ILE   5   0.591   4.122   1.379
   45    HA   ILE   5           HA       ILE   5   2.761   2.471   0.105
   46    HB   ILE   5           HB       ILE   5   1.192   4.739  -1.180
   47   1HG1  ILE   5          2HG1      ILE   5  -0.497   3.133  -0.806
   48   2HG1  ILE   5          3HG1      ILE   5   0.012   2.901  -2.472
   49   1HG2  ILE   5          2HG2      ILE   5   2.938   2.541  -2.337
   50   2HG2  ILE   5          3HG2      ILE   5   2.024   3.709  -3.291
   51   3HG2  ILE   5          1HG2      ILE   5   3.332   4.254  -2.249
   52   1HD1  ILE   5          1HD1      ILE   5   1.506   1.026  -1.711
   53   2HD1  ILE   5          2HD1      ILE   5   0.867   1.217  -0.088
   54   3HD1  ILE   5          3HD1      ILE   5  -0.195   0.712  -1.394
   55    QG1  ILE   5           QG1      ILE   5  -0.243   3.017  -1.639
   56    QG2  ILE   5           QG2      ILE   5   2.764   3.501  -2.626
   57    QD1  ILE   5           QD1      ILE   5   0.726   0.985  -1.064
   58    H    PHE   6           HN       PHE   6   4.755   3.411  -0.132
   59    HA   PHE   6           HA       PHE   6   5.101   6.288   0.623
   60   1HB   PHE   6          2HB       PHE   6   7.056   4.004   1.133
   61   2HB   PHE   6          3HB       PHE   6   7.356   5.699   1.488
   62    HD1  PHE   6          2HD       PHE   6   4.873   3.002   2.224
   63    HD2  PHE   6          1HD       PHE   6   6.866   6.480   3.667
   64    HE1  PHE   6          2HE       PHE   6   3.852   2.695   4.424
   65    HE2  PHE   6          1HE       PHE   6   5.840   6.156   5.871
   66    HZ   PHE   6           HZ       PHE   6   4.334   4.252   6.257
   67    QB   PHE   6           QB       PHE   6   7.206   4.851   1.310
   68    QR   PHE   6           QR       PHE   6   5.358   4.583   4.047
   69    H    GLY   7           HN       GLY   7   4.925   6.808  -1.557
   70   1HA   GLY   7          1HA       GLY   7   7.330   6.125  -3.191
   71   2HA   GLY   7          2HA       GLY   7   5.729   5.971  -3.923
   72    QA   GLY   7           QA       GLY   7   6.529   6.048  -3.557
   73    NH1  ARG   8           NH1      ARG   8   7.722  15.900  -5.487
   74    NH2  ARG   8           NH2      ARG   8   6.210  15.549  -3.799
   75    H    ARG   8           HN       ARG   8   6.572   7.706  -5.419
   76    HA   ARG   8           HA       ARG   8   5.871  10.327  -4.247
   77   1HB   ARG   8          2HB       ARG   8   8.325  10.298  -4.109
   78   2HB   ARG   8          3HB       ARG   8   8.444   9.786  -5.784
   79   1HG   ARG   8          2HG       ARG   8   8.930  12.203  -5.527
   80   2HG   ARG   8          3HG       ARG   8   7.523  11.957  -6.535
   81   1HD   ARG   8          2HD       ARG   8   6.255  12.211  -4.173
   82   2HD   ARG   8          3HD       ARG   8   7.721  13.071  -3.751
   83    HE   ARG   8           HE       ARG   8   6.006  13.854  -6.111
   84   1HH1  ARG   8          1HH1      ARG   8   8.184  15.541  -6.301
   85   2HH1  ARG   8          2HH1      ARG   8   7.933  16.823  -5.159
   86   1HH2  ARG   8          2HH2      ARG   8   5.586  14.898  -3.338
   87   2HH2  ARG   8          1HH2      ARG   8   6.337  16.468  -3.423
   88    QB   ARG   8           QB       ARG   8   8.385  10.042  -4.946
   89    QG   ARG   8           QG       ARG   8   8.226  12.080  -6.031
   90    QD   ARG   8           QD       ARG   8   6.988  12.641  -3.962
   91    QH1  ARG   8           QH1      ARG   8   8.059  16.182  -5.730
   92    QH2  ARG   8           QH2      ARG   8   5.962  15.683  -3.381
   93    H    SER   9           HN       SER   9   5.573  11.963  -6.049
   94    HA   SER   9           HA       SER   9   3.990  10.712  -8.181
   95   1HB   SER   9          2HB       SER   9   3.345  13.099  -8.654
   96   2HB   SER   9          3HB       SER   9   3.142  12.714  -6.928
   97    HG   SER   9           HG       SER   9   5.270  14.051  -8.249
   98    QB   SER   9           QB       SER   9   3.244  12.907  -7.791
   99    H    GLY  10           HN       GLY  10   6.248   9.802  -8.893
  100   1HA   GLY  10          1HA       GLY  10   7.444  11.743 -10.871
  101   2HA   GLY  10          2HA       GLY  10   8.403  10.518 -10.041
  102    QA   GLY  10           QA       GLY  10   7.923  11.131 -10.456
  103    H    CYS  11           HN       CYS  11   5.399  10.702 -11.841
  104    HA   CYS  11           HA       CYS  11   5.023   9.689 -14.045
  105   1HB   CYS  11          2HB       CYS  11   7.362   8.655 -13.982
  106   2HB   CYS  11          3HB       CYS  11   6.684   7.378 -13.012
  107    HG   CYS  11           HG       CYS  11   5.773   6.280 -15.019
  108    QB   CYS  11           QB       CYS  11   7.023   8.016 -13.497
  109    HA   PRO  12           HA       PRO  12   1.751   7.136 -12.219
  110   1HB   PRO  12          2HB       PRO  12   2.203   5.258 -14.515
  111   2HB   PRO  12          3HB       PRO  12   0.688   5.939 -13.901
  112   1HG   PRO  12          2HG       PRO  12   1.834   6.913 -16.155
  113   2HG   PRO  12          3HG       PRO  12   1.005   7.991 -15.022
  114   1HD   PRO  12          2HD       PRO  12   3.944   7.605 -15.456
  115   2HD   PRO  12          3HD       PRO  12   3.074   9.070 -14.970
  116    QB   PRO  12           QB       PRO  12   1.446   5.599 -14.208
  117    QG   PRO  12           QG       PRO  12   1.420   7.452 -15.589
  118    QD   PRO  12           QD       PRO  12   3.509   8.337 -15.213
  119    OH   TYR  13           OH       TYR  13   9.471   3.753 -13.492
  120    H    TYR  13           HN       TYR  13   3.488   6.734 -10.555
  121    HA   TYR  13           HA       TYR  13   4.381   3.880 -10.619
  122   1HB   TYR  13          2HB       TYR  13   5.629   6.357  -9.479
  123   2HB   TYR  13          3HB       TYR  13   5.884   4.843  -8.611
  124    HD1  TYR  13           HD1      TYR  13   6.243   2.781 -10.478
  125    HD2  TYR  13           HD2      TYR  13   7.397   6.850 -10.939
  126    HE1  TYR  13           HE1      TYR  13   7.892   2.125 -12.158
  127    HE2  TYR  13           HE2      TYR  13   9.062   6.182 -12.613
  128    HH   TYR  13           HH       TYR  13   9.059   3.087 -14.052
  129    QB   TYR  13           QB       TYR  13   5.757   5.600  -9.045
  130    QR   TYR  13           QR       TYR  13   7.648   4.485 -11.547
  131    H    CYS  14           HN       CYS  14   3.912   6.109  -7.807
  132    HA   CYS  14           HA       CYS  14   2.832   4.047  -6.160
  133   1HB   CYS  14          2HB       CYS  14   1.649   6.758  -5.840
  134   2HB   CYS  14          3HB       CYS  14   2.181   5.627  -4.627
  135    HG   CYS  14           HG       CYS  14   3.689   7.933  -5.012
  136    QB   CYS  14           QB       CYS  14   1.915   6.193  -5.233
  137    H    VAL  15           HN       VAL  15   1.462   6.005  -8.604
  138    HA   VAL  15           HA       VAL  15  -1.258   5.892  -8.213
  139    HB   VAL  15           HB       VAL  15   0.188   5.350 -10.837
  140   1HG1  VAL  15          2HG1      VAL  15  -2.570   6.501 -10.265
  141   2HG1  VAL  15          3HG1      VAL  15  -1.833   6.365 -11.859
  142   3HG1  VAL  15          1HG1      VAL  15  -2.253   4.914 -10.956
  143   1HG2  VAL  15          3HG2      VAL  15  -0.645   7.943  -9.459
  144   2HG2  VAL  15          1HG2      VAL  15   1.011   7.397  -9.705
  145   3HG2  VAL  15          2HG2      VAL  15   0.020   7.843 -11.088
  146    QG1  VAL  15           QG1      VAL  15  -2.219   5.927 -11.027
  147    QG2  VAL  15           QG2      VAL  15   0.128   7.728 -10.084
  148    QQG  VAL  15           QQG      VAL  15  -1.045   6.827 -10.556
  149    NH1  ARG  16           NH2      ARG  16  -3.934  -0.657 -10.959
  150    NH2  ARG  16           NH1      ARG  16  -3.064  -0.940  -8.885
  151    H    ARG  16           HN       ARG  16   0.815   3.169  -9.229
  152    HA   ARG  16           HA       ARG  16  -1.533   1.443  -9.598
  153   1HB   ARG  16          2HB       ARG  16   1.437   1.011  -9.679
  154   2HB   ARG  16          3HB       ARG  16   0.390  -0.379  -9.477
  155   1HG   ARG  16          2HG       ARG  16   0.296   1.636 -11.751
  156   2HG   ARG  16          3HG       ARG  16   0.843  -0.028 -11.862
  157   1HD   ARG  16          2HD       ARG  16  -1.968   1.022 -11.609
  158   2HD   ARG  16          3HD       ARG  16  -1.336  -0.236 -12.658
  159    HE   ARG  16           HE       ARG  16  -1.129  -1.615 -10.424
  160   1HH1  ARG  16          2HH2      ARG  16  -3.788  -0.564 -11.940
  161   2HH1  ARG  16          1HH2      ARG  16  -4.867  -0.630 -10.585
  162   1HH2  ARG  16          2HH1      ARG  16  -2.265  -1.046  -8.294
  163   2HH2  ARG  16          1HH1      ARG  16  -3.984  -0.904  -8.482
  164    QB   ARG  16           QB       ARG  16   0.914   0.316  -9.578
  165    QG   ARG  16           QG       ARG  16   0.569   0.804 -11.807
  166    QD   ARG  16           QD       ARG  16  -1.652   0.393 -12.134
  167    QH1  ARG  16           QH2      ARG  16  -4.327  -0.597 -11.262
  168    QH2  ARG  16           QH1      ARG  16  -3.125  -0.975  -8.388
  169    H    ALA  17           HN       ALA  17   1.116   1.539  -7.208
  170    HA   ALA  17           HA       ALA  17   0.145  -0.420  -5.435
  171   1HB   ALA  17          2HB       ALA  17   1.424   2.242  -4.708
  172   2HB   ALA  17          3HB       ALA  17   1.314   0.839  -3.650
  173   3HB   ALA  17          1HB       ALA  17   2.288   0.762  -5.106
  174    QB   ALA  17           QB       ALA  17   1.675   1.281  -4.488
  175    H    LYS  18           HN       LYS  18  -0.727   2.936  -5.717
  176    HA   LYS  18           HA       LYS  18  -2.580   3.179  -3.589
  177   1HB   LYS  18          2HB       LYS  18  -1.872   5.229  -4.569
  178   2HB   LYS  18          3HB       LYS  18  -2.154   4.641  -6.199
  179   1HG   LYS  18          2HG       LYS  18  -3.871   6.292  -5.551
  180   2HG   LYS  18          3HG       LYS  18  -4.598   4.722  -5.831
  181   1HD   LYS  18          2HD       LYS  18  -4.115   4.500  -3.166
  182   2HD   LYS  18          3HD       LYS  18  -4.258   6.245  -3.279
  183   1HE   LYS  18          2HE       LYS  18  -6.306   4.498  -4.611
  184   2HE   LYS  18          3HE       LYS  18  -6.416   4.774  -2.884
  185   1HZ   LYS  18          1HZ       LYS  18  -6.037   7.179  -4.407
  186   2HZ   LYS  18          2HZ       LYS  18  -7.443   6.296  -4.843
  187   3HZ   LYS  18          3HZ       LYS  18  -7.207   6.795  -3.220
  188    QB   LYS  18           QB       LYS  18  -2.013   4.935  -5.384
  189    QG   LYS  18           QG       LYS  18  -4.234   5.507  -5.691
  190    QD   LYS  18           QD       LYS  18  -4.186   5.372  -3.222
  191    QE   LYS  18           QE       LYS  18  -6.361   4.636  -3.748
  192    QZ   LYS  18           QZ       LYS  18  -6.896   6.757  -4.157
  193    H    ASP  19           HN       ASP  19  -3.239   2.762  -7.094
  194    HA   ASP  19           HA       ASP  19  -5.995   2.255  -6.861
  195   1HB   ASP  19          2HB       ASP  19  -5.056   2.438  -9.060
  196   2HB   ASP  19          3HB       ASP  19  -3.955   1.104  -8.786
  197    QB   ASP  19           QB       ASP  19  -4.506   1.771  -8.923
  198    H    LEU  20           HN       LEU  20  -3.299  -0.047  -6.488
  199    HA   LEU  20           HA       LEU  20  -4.979  -2.345  -6.145
  200   1HB   LEU  20          2HB       LEU  20  -2.551  -2.575  -6.563
  201   2HB   LEU  20          3HB       LEU  20  -2.199  -1.849  -5.011
  202    HG   LEU  20           HG       LEU  20  -2.983  -3.738  -3.811
  203   1HD1  LEU  20          3HD1      LEU  20  -4.253  -4.727  -6.400
  204   2HD1  LEU  20          1HD1      LEU  20  -4.248  -5.599  -4.873
  205   3HD1  LEU  20          2HD1      LEU  20  -5.130  -4.090  -5.011
  206   1HD2  LEU  20          1HD2      LEU  20  -0.853  -4.152  -5.007
  207   2HD2  LEU  20          2HD2      LEU  20  -1.773  -5.643  -4.873
  208   3HD2  LEU  20          3HD2      LEU  20  -1.733  -4.770  -6.391
  209    QB   LEU  20           QB       LEU  20  -2.375  -2.212  -5.787
  210    QD1  LEU  20           QD1      LEU  20  -4.544  -4.805  -5.428
  211    QD2  LEU  20           QD2      LEU  20  -1.453  -4.855  -5.424
  212    QQD  LEU  20           QQD      LEU  20  -2.998  -4.830  -5.426
  213    H    ALA  21           HN       ALA  21  -3.163  -0.605  -3.594
  214    HA   ALA  21           HA       ALA  21  -4.413  -1.736  -1.359
  215   1HB   ALA  21          3HB       ALA  21  -3.557   1.160  -1.714
  216   2HB   ALA  21          1HB       ALA  21  -3.846   0.364  -0.172
  217   3HB   ALA  21          2HB       ALA  21  -2.521  -0.166  -1.197
  218    QB   ALA  21           QB       ALA  21  -3.308   0.453  -1.027
  219    H    GLU  22           HN       GLU  22  -5.519   0.899  -3.377
  220    HA   GLU  22           HA       GLU  22  -7.842   1.644  -1.877
  221   1HB   GLU  22          2HB       GLU  22  -6.740   2.923  -3.703
  222   2HB   GLU  22          3HB       GLU  22  -7.332   1.761  -4.858
  223   1HG   GLU  22          2HG       GLU  22  -9.690   2.289  -3.956
  224   2HG   GLU  22          3HG       GLU  22  -8.951   3.696  -3.191
  225    QB   GLU  22           QB       GLU  22  -7.036   2.342  -4.281
  226    QG   GLU  22           QG       GLU  22  -9.320   2.993  -3.573
  227    H    LYS  23           HN       LYS  23  -7.469  -0.380  -4.755
  228    HA   LYS  23           HA       LYS  23 -10.156  -1.191  -5.034
  229   1HB   LYS  23          2HB       LYS  23  -7.716  -1.880  -6.242
  230   2HB   LYS  23          3HB       LYS  23  -8.231  -3.380  -5.499
  231   1HG   LYS  23          2HG       LYS  23  -9.630  -3.700  -7.218
  232   2HG   LYS  23          3HG       LYS  23 -10.574  -2.332  -6.669
  233   1HD   LYS  23          2HD       LYS  23  -8.134  -1.946  -8.434
  234   2HD   LYS  23          3HD       LYS  23  -9.697  -2.342  -9.119
  235   1HE   LYS  23          2HE       LYS  23  -9.720  -0.015  -9.236
  236   2HE   LYS  23          3HE       LYS  23 -10.575  -0.298  -7.732
  237   1HZ   LYS  23          1HZ       LYS  23  -7.868  -0.103  -7.085
  238   2HZ   LYS  23          2HZ       LYS  23  -8.189   1.133  -8.191
  239   3HZ   LYS  23          3HZ       LYS  23  -9.090   1.042  -6.768
  240    QB   LYS  23           QB       LYS  23  -7.974  -2.630  -5.870
  241    QG   LYS  23           QG       LYS  23 -10.102  -3.016  -6.943
  242    QD   LYS  23           QD       LYS  23  -8.916  -2.144  -8.777
  243    QE   LYS  23           QE       LYS  23 -10.148  -0.157  -8.484
  244    QZ   LYS  23           QZ       LYS  23  -8.382   0.690  -7.348
  245    H    LEU  24           HN       LEU  24  -7.495  -2.708  -3.303
  246    HA   LEU  24           HA       LEU  24  -8.924  -4.796  -2.008
  247   1HB   LEU  24          2HB       LEU  24  -6.608  -3.140  -0.935
  248   2HB   LEU  24          3HB       LEU  24  -7.102  -4.699  -0.306
  249    HG   LEU  24           HG       LEU  24  -6.195  -4.235  -3.171
  250   1HD1  LEU  24          3HD1      LEU  24  -4.359  -3.863  -1.536
  251   2HD1  LEU  24          1HD1      LEU  24  -4.707  -5.420  -0.797
  252   3HD1  LEU  24          2HD1      LEU  24  -4.103  -5.346  -2.444
  253   1HD2  LEU  24          1HD2      LEU  24  -7.702  -6.199  -2.842
  254   2HD2  LEU  24          2HD2      LEU  24  -6.066  -6.703  -3.240
  255   3HD2  LEU  24          3HD2      LEU  24  -6.631  -6.796  -1.579
  256    QB   LEU  24           QB       LEU  24  -6.855  -3.920  -0.621
  257    QD1  LEU  24           QD1      LEU  24  -4.390  -4.876  -1.592
  258    QD2  LEU  24           QD2      LEU  24  -6.799  -6.566  -2.554
  259    QQD  LEU  24           QQD      LEU  24  -5.595  -5.721  -2.073
  260    H    SER  25           HN       SER  25  -8.400  -1.440  -1.138
  261    HA   SER  25           HA       SER  25  -9.718  -1.418   1.365
  262   1HB   SER  25          2HB       SER  25  -8.350   0.485   0.266
  263   2HB   SER  25          3HB       SER  25  -9.847   0.902  -0.587
  264    HG   SER  25           HG       SER  25  -9.945   0.393   2.176
  265    QB   SER  25           QB       SER  25  -9.099   0.694  -0.161
  266    H    ASN  26           HN       ASN  26 -11.012  -1.191  -1.882
  267    HA   ASN  26           HA       ASN  26 -13.749  -0.653  -0.915
  268   1HB   ASN  26          2HB       ASN  26 -12.888   0.236  -3.102
  269   2HB   ASN  26          3HB       ASN  26 -12.818  -1.417  -3.705
  270   1HD2  ASN  26          2HD2      ASN  26 -16.377  -1.685  -4.044
  271   2HD2  ASN  26          1HD2      ASN  26 -14.944  -2.584  -3.912
  272    QB   ASN  26           QB       ASN  26 -12.853  -0.590  -3.404
  273    QD2  ASN  26           QD2      ASN  26 -15.661  -2.135  -3.978
  274    H    GLU  27           HN       GLU  27 -11.864  -3.407  -1.953
  275    HA   GLU  27           HA       GLU  27 -14.086  -5.231  -2.260
  276   1HB   GLU  27          2HB       GLU  27 -11.163  -5.842  -1.655
  277   2HB   GLU  27          3HB       GLU  27 -12.355  -7.022  -2.173
  278   1HG   GLU  27          2HG       GLU  27 -12.626  -5.893  -4.320
  279   2HG   GLU  27          3HG       GLU  27 -11.572  -4.584  -3.807
  280    QB   GLU  27           QB       GLU  27 -11.759  -6.432  -1.914
  281    QG   GLU  27           QG       GLU  27 -12.099  -5.238  -4.063
  282    NH1  ARG  28           NH1      ARG  28  -9.455  -6.969   4.921
  283    NH2  ARG  28           NH2      ARG  28  -9.454  -9.100   5.719
  284    H    ARG  28           HN       ARG  28 -11.792  -4.700   0.441
  285    HA   ARG  28           HA       ARG  28 -13.599  -6.402   2.134
  286   1HB   ARG  28          2HB       ARG  28 -10.772  -5.512   2.761
  287   2HB   ARG  28          3HB       ARG  28 -11.711  -6.727   3.614
  288   1HG   ARG  28          2HG       ARG  28 -11.707  -8.147   1.578
  289   2HG   ARG  28          3HG       ARG  28 -10.738  -6.939   0.744
  290   1HD   ARG  28          2HD       ARG  28  -9.254  -8.676   1.609
  291   2HD   ARG  28          3HD       ARG  28  -8.970  -7.190   2.502
  292    HE   ARG  28           HE       ARG  28 -10.484  -9.582   3.540
  293   1HH1  ARG  28          2HH1      ARG  28  -9.644  -6.350   4.174
  294   2HH1  ARG  28          1HH1      ARG  28  -9.122  -6.605   5.809
  295   1HH2  ARG  28          2HH2      ARG  28  -9.618 -10.087   5.558
  296   2HH2  ARG  28          1HH2      ARG  28  -9.156  -8.775   6.626
  297    QB   ARG  28           QB       ARG  28 -11.241  -6.120   3.188
  298    QG   ARG  28           QG       ARG  28 -11.223  -7.543   1.161
  299    QD   ARG  28           QD       ARG  28  -9.112  -7.933   2.056
  300    QH1  ARG  28           QH1      ARG  28  -9.383  -6.478   4.992
  301    QH2  ARG  28           QH2      ARG  28  -9.387  -9.431   6.092
  302    H    ASP  29           HN       ASP  29 -13.836  -5.736   4.378
  303    HA   ASP  29           HA       ASP  29 -14.239  -2.797   4.603
  304   1HB   ASP  29          2HB       ASP  29 -14.855  -4.580   6.916
  305   2HB   ASP  29          3HB       ASP  29 -15.842  -3.322   6.188
  306    QB   ASP  29           QB       ASP  29 -15.348  -3.951   6.552
  307    H    ASP  30           HN       ASP  30 -12.428  -5.453   5.871
  308    HA   ASP  30           HA       ASP  30 -11.040  -3.924   7.951
  309   1HB   ASP  30          2HB       ASP  30 -11.459  -6.222   8.457
  310   2HB   ASP  30          3HB       ASP  30 -10.981  -6.757   6.859
  311    QB   ASP  30           QB       ASP  30 -11.220  -6.489   7.658
  312    H    PHE  31           HN       PHE  31 -10.779  -2.743   5.411
  313    HA   PHE  31           HA       PHE  31  -7.849  -2.959   5.082
  314   1HB   PHE  31          2HB       PHE  31  -9.072  -4.516   3.435
  315   2HB   PHE  31          3HB       PHE  31  -9.592  -3.056   2.612
  316    HD1  PHE  31          1HD       PHE  31  -7.708  -1.363   1.945
  317    HD2  PHE  31          2HD       PHE  31  -6.903  -5.384   3.080
  318    HE1  PHE  31          1HE       PHE  31  -5.505  -1.219   0.899
  319    HE2  PHE  31          2HE       PHE  31  -4.679  -5.208   2.071
  320    HZ   PHE  31           HZ       PHE  31  -3.993  -3.152   0.944
  321    QB   PHE  31           QB       PHE  31  -9.332  -3.786   3.024
  322    QR   PHE  31           QR       PHE  31  -6.199  -3.294   1.999
  323    H    GLN  32           HN       GLN  32  -7.651  -0.900   5.894
  324    HA   GLN  32           HA       GLN  32  -8.864   1.322   4.317
  325   1HB   GLN  32          2HB       GLN  32  -7.410   1.202   6.998
  326   2HB   GLN  32          3HB       GLN  32  -7.683   2.725   6.164
  327   1HG   GLN  32          2HG       GLN  32  -9.462   2.353   7.801
  328   2HG   GLN  32          3HG       GLN  32 -10.131   2.278   6.179
  329   1HE2  GLN  32          2HE2      GLN  32 -11.275  -1.008   6.550
  330   2HE2  GLN  32          1HE2      GLN  32 -11.174   0.375   5.572
  331    QB   GLN  32           QB       GLN  32  -7.546   1.963   6.581
  332    QG   GLN  32           QG       GLN  32  -9.796   2.316   6.990
  333    QE2  GLN  32           QE2      GLN  32 -11.225  -0.316   6.061
  334    OH   TYR  33           OH       TYR  33  -7.648   6.664  -1.535
  335    H    TYR  33           HN       TYR  33  -7.304   2.916   3.416
  336    HA   TYR  33           HA       TYR  33  -4.519   1.844   3.230
  337   1HB   TYR  33          2HB       TYR  33  -4.444   2.082   0.890
  338   2HB   TYR  33          3HB       TYR  33  -6.036   1.395   1.161
  339    HD1  TYR  33           HD2      TYR  33  -4.204   4.558   0.487
  340    HD2  TYR  33           HD1      TYR  33  -8.024   2.669   0.577
  341    HE1  TYR  33           HE2      TYR  33  -5.176   6.473  -0.685
  342    HE2  TYR  33           HE1      TYR  33  -8.973   4.546  -0.681
  343    HH   TYR  33           HH       TYR  33  -8.513   6.877  -1.164
  344    QB   TYR  33           QB       TYR  33  -5.240   1.738   1.026
  345    QR   TYR  33           QR       TYR  33  -6.594   4.561  -0.075
  346    H    GLN  34           HN       GLN  34  -2.948   3.508   2.642
  347    HA   GLN  34           HA       GLN  34  -3.826   6.317   2.940
  348   1HB   GLN  34          2HB       GLN  34  -3.436   5.922   5.228
  349   2HB   GLN  34          3HB       GLN  34  -2.145   4.778   4.909
  350   1HG   GLN  34          2HG       GLN  34  -0.692   6.677   4.145
  351   2HG   GLN  34          3HG       GLN  34  -1.997   7.793   4.514
  352   1HE2  GLN  34          2HE2      GLN  34  -1.153   6.104   8.031
  353   2HE2  GLN  34          1HE2      GLN  34  -2.066   5.321   6.835
  354    QB   GLN  34           QB       GLN  34  -2.791   5.350   5.068
  355    QG   GLN  34           QG       GLN  34  -1.345   7.235   4.329
  356    QE2  GLN  34           QE2      GLN  34  -1.609   5.713   7.433
  357    OH   TYR  35           OH       TYR  35   2.929  10.147  -3.862
  358    H    TYR  35           HN       TYR  35  -2.226   7.797   2.181
  359    HA   TYR  35           HA       TYR  35   0.009   6.515   0.641
  360   1HB   TYR  35          2HB       TYR  35  -1.678   7.317  -0.927
  361   2HB   TYR  35          3HB       TYR  35  -1.770   8.869  -0.107
  362    HD1  TYR  35           HD1      TYR  35   0.286  10.414  -0.168
  363    HD2  TYR  35           HD2      TYR  35   0.005   6.922  -2.593
  364    HE1  TYR  35           HE1      TYR  35   2.017  11.305  -1.661
  365    HE2  TYR  35           HE2      TYR  35   1.723   7.831  -4.072
  366    HH   TYR  35           HH       TYR  35   3.538  10.724  -3.364
  367    QB   TYR  35           QB       TYR  35  -1.724   8.093  -0.517
  368    QR   TYR  35           QR       TYR  35   1.008   9.118  -2.124
  369    H    VAL  36           HN       VAL  36   1.948   7.183   1.375
  370    HA   VAL  36           HA       VAL  36   2.061   9.829   2.778
  371    HB   VAL  36           HB       VAL  36   3.916   7.424   3.127
  372   1HG1  VAL  36          1HG1      VAL  36   4.933   9.654   3.639
  373   2HG1  VAL  36          2HG1      VAL  36   3.605   9.982   4.751
  374   3HG1  VAL  36          3HG1      VAL  36   4.733   8.678   5.091
  375   1HG2  VAL  36          2HG2      VAL  36   1.633   6.962   3.991
  376   2HG2  VAL  36          3HG2      VAL  36   2.787   7.115   5.309
  377   3HG2  VAL  36          1HG2      VAL  36   1.691   8.441   4.938
  378    QG1  VAL  36           QG1      VAL  36   4.424   9.438   4.494
  379    QG2  VAL  36           QG2      VAL  36   2.037   7.506   4.746
  380    QQG  VAL  36           QQG      VAL  36   3.230   8.472   4.620
  381    H    ASP  37           HN       ASP  37   3.765  11.173   2.113
  382    HA   ASP  37           HA       ASP  37   5.010  10.287  -0.475
  383   1HB   ASP  37          2HB       ASP  37   3.415  12.378  -0.352
  384   2HB   ASP  37          3HB       ASP  37   4.788  13.160   0.417
  385    QB   ASP  37           QB       ASP  37   4.101  12.769   0.032
  386    H    ILE  38           HN       ILE  38   7.191  11.011  -0.829
  387    HA   ILE  38           HA       ILE  38   8.683  11.034   1.708
  388    HB   ILE  38           HB       ILE  38  10.670  10.707   0.340
  389   1HG1  ILE  38          2HG1      ILE  38   8.880  11.317  -2.049
  390   2HG1  ILE  38          3HG1      ILE  38  10.152  12.360  -1.434
  391   1HG2  ILE  38          1HG2      ILE  38   9.119   8.764   0.651
  392   2HG2  ILE  38          2HG2      ILE  38   8.346   9.156  -0.881
  393   3HG2  ILE  38          3HG2      ILE  38  10.031   8.645  -0.844
  394   1HD1  ILE  38          3HD1      ILE  38  11.828  10.588  -1.893
  395   2HD1  ILE  38          1HD1      ILE  38  10.556   9.565  -2.550
  396   3HD1  ILE  38          2HD1      ILE  38  10.978  11.068  -3.356
  397    QG1  ILE  38           QG1      ILE  38   9.516  11.838  -1.741
  398    QG2  ILE  38           QG2      ILE  38   9.165   8.855  -0.358
  399    QD1  ILE  38           QD1      ILE  38  11.121  10.407  -2.600
  400    NH1  ARG  39           NH1      ARG  39  11.333  18.836   0.284
  401    NH2  ARG  39           NH2      ARG  39  10.253  17.675   1.936
  402    H    ARG  39           HN       ARG  39   7.760  13.220  -0.803
  403    HA   ARG  39           HA       ARG  39   9.596  15.325   0.204
  404   1HB   ARG  39          2HB       ARG  39   9.618  15.290  -2.133
  405   2HB   ARG  39          3HB       ARG  39   7.926  14.873  -2.247
  406   1HG   ARG  39          2HG       ARG  39   8.179  17.123  -3.047
  407   2HG   ARG  39          3HG       ARG  39   7.347  17.219  -1.510
  408   1HD   ARG  39          2HD       ARG  39  10.353  17.518  -1.705
  409   2HD   ARG  39          3HD       ARG  39   9.269  18.891  -1.951
  410    HE   ARG  39           HE       ARG  39   8.345  18.083   0.421
  411   1HH1  ARG  39          2HH1      ARG  39  11.302  19.242  -0.632
  412   2HH1  ARG  39          1HH1      ARG  39  12.159  18.932   0.843
  413   1HH2  ARG  39          2HH2      ARG  39   9.415  17.198   2.229
  414   2HH2  ARG  39          1HH2      ARG  39  11.032  17.749   2.558
  415    QB   ARG  39           QB       ARG  39   8.772  15.081  -2.190
  416    QG   ARG  39           QG       ARG  39   7.763  17.171  -2.278
  417    QD   ARG  39           QD       ARG  39   9.811  18.205  -1.828
  418    QH1  ARG  39           QH1      ARG  39  11.730  19.087   0.105
  419    QH2  ARG  39           QH2      ARG  39  10.223  17.474   2.394
  420    H    ALA  40           HN       ALA  40   6.126  15.044  -0.607
  421    HA   ALA  40           HA       ALA  40   5.229  17.430   0.574
  422   1HB   ALA  40          3HB       ALA  40   3.726  15.908  -0.681
  423   2HB   ALA  40          1HB       ALA  40   3.759  14.775   0.665
  424   3HB   ALA  40          2HB       ALA  40   3.038  16.362   0.873
  425    QB   ALA  40           QB       ALA  40   3.508  15.682   0.286
  426    H    GLU  41           HN       GLU  41   6.104  14.426   2.153
  427    HA   GLU  41           HA       GLU  41   5.226  15.452   4.788
  428   1HB   GLU  41          2HB       GLU  41   6.531  12.848   3.906
  429   2HB   GLU  41          3HB       GLU  41   6.131  13.218   5.576
  430   1HG   GLU  41          2HG       GLU  41   3.944  13.575   3.570
  431   2HG   GLU  41          3HG       GLU  41   4.419  11.923   3.941
  432    QB   GLU  41           QB       GLU  41   6.331  13.033   4.741
  433    QG   GLU  41           QG       GLU  41   4.181  12.749   3.756
  434    H    GLY  42           HN       GLY  42   8.238  14.490   3.148
  435   1HA   GLY  42          1HA       GLY  42  10.310  15.753   3.404
  436   2HA   GLY  42          2HA       GLY  42   9.720  16.356   4.955
  437    QA   GLY  42           QA       GLY  42  10.015  16.055   4.179
  438    H    ILE  43           HN       ILE  43  10.127  13.199   3.436
  439    HA   ILE  43           HA       ILE  43  11.218  12.174   6.009
  440    HB   ILE  43           HB       ILE  43  10.403  10.489   3.613
  441   1HG1  ILE  43          2HG1      ILE  43   8.606  11.429   5.891
  442   2HG1  ILE  43          3HG1      ILE  43   8.535  12.070   4.258
  443   1HG2  ILE  43          1HG2      ILE  43  11.646   9.387   5.481
  444   2HG2  ILE  43          2HG2      ILE  43  10.439   9.975   6.622
  445   3HG2  ILE  43          3HG2      ILE  43   9.995   8.799   5.393
  446   1HD1  ILE  43          2HD1      ILE  43   7.994   9.798   3.392
  447   2HD1  ILE  43          3HD1      ILE  43   8.007   9.186   5.044
  448   3HD1  ILE  43          1HD1      ILE  43   6.806  10.370   4.553
  449    QG1  ILE  43           QG1      ILE  43   8.571  11.749   5.074
  450    QG2  ILE  43           QG2      ILE  43  10.693   9.387   5.832
  451    QD1  ILE  43           QD1      ILE  43   7.603   9.785   4.330
  452    H    THR  44           HN       THR  44  13.058  10.656   5.818
  453    HA   THR  44           HA       THR  44  14.982  11.576   3.716
  454    HB   THR  44           HB       THR  44  16.741  11.136   5.413
  455    HG1  THR  44          1HG       THR  44  14.862   9.457   6.243
  456   1HG2  THR  44          1HG2      THR  44  14.337  12.427   6.811
  457   2HG2  THR  44          2HG2      THR  44  16.027  12.627   7.258
  458   3HG2  THR  44          3HG2      THR  44  15.430  13.309   5.747
  459    QG2  THR  44           QG2      THR  44  15.265  12.788   6.605
  460    H    LYS  45           HN       LYS  45  16.322  10.095   2.702
  461    HA   LYS  45           HA       LYS  45  15.384   7.530   2.059
  462   1HB   LYS  45          2HB       LYS  45  17.180   8.374   0.721
  463   2HB   LYS  45          3HB       LYS  45  18.183   8.723   2.125
  464   1HG   LYS  45          2HG       LYS  45  18.455   6.306   2.555
  465   2HG   LYS  45          3HG       LYS  45  17.399   5.944   1.203
  466   1HD   LYS  45          2HD       LYS  45  18.987   6.851  -0.379
  467   2HD   LYS  45          3HD       LYS  45  19.962   7.549   0.908
  468   1HE   LYS  45          2HE       LYS  45  19.527   4.566   0.467
  469   2HE   LYS  45          3HE       LYS  45  20.974   5.455   0.020
  470   1HZ   LYS  45          3HZ       LYS  45  20.430   6.036   2.696
  471   2HZ   LYS  45          1HZ       LYS  45  20.303   4.342   2.521
  472   3HZ   LYS  45          2HZ       LYS  45  21.729   5.158   2.064
  473    QB   LYS  45           QB       LYS  45  17.682   8.548   1.423
  474    QG   LYS  45           QG       LYS  45  17.927   6.125   1.879
  475    QD   LYS  45           QD       LYS  45  19.474   7.200   0.265
  476    QE   LYS  45           QE       LYS  45  20.251   5.011   0.243
  477    QZ   LYS  45           QZ       LYS  45  20.821   5.179   2.427
  478    H    GLU  46           HN       GLU  46  17.879   8.377   4.396
  479    HA   GLU  46           HA       GLU  46  18.444   5.910   5.522
  480   1HB   GLU  46          2HB       GLU  46  18.254   8.664   6.787
  481   2HB   GLU  46          3HB       GLU  46  18.859   7.276   7.676
  482   1HG   GLU  46          2HG       GLU  46  20.671   8.660   6.560
  483   2HG   GLU  46          3HG       GLU  46  20.684   6.964   6.105
  484    QB   GLU  46           QB       GLU  46  18.557   7.970   7.231
  485    QG   GLU  46           QG       GLU  46  20.678   7.812   6.332
  486    H    ASP  47           HN       ASP  47  16.018   8.144   6.951
  487    HA   ASP  47           HA       ASP  47  14.909   6.393   8.833
  488   1HB   ASP  47          2HB       ASP  47  14.279   8.788   8.619
  489   2HB   ASP  47          3HB       ASP  47  13.471   8.439   7.100
  490    QB   ASP  47           QB       ASP  47  13.875   8.613   7.859
  491    H    LEU  48           HN       LEU  48  13.709   6.925   5.526
  492    HA   LEU  48           HA       LEU  48  11.681   4.939   5.565
  493   1HB   LEU  48          2HB       LEU  48  13.012   6.586   3.575
  494   2HB   LEU  48          3HB       LEU  48  12.737   4.988   2.915
  495    HG   LEU  48           HG       LEU  48  10.621   6.762   4.213
  496   1HD1  LEU  48          1HD1      LEU  48  11.061   5.944   1.320
  497   2HD1  LEU  48          2HD1      LEU  48   9.707   6.903   1.909
  498   3HD1  LEU  48          3HD1      LEU  48  11.342   7.552   1.978
  499   1HD2  LEU  48          2HD2      LEU  48  10.341   4.072   2.806
  500   2HD2  LEU  48          3HD2      LEU  48  10.117   4.341   4.532
  501   3HD2  LEU  48          1HD2      LEU  48   9.010   5.068   3.375
  502    QB   LEU  48           QB       LEU  48  12.874   5.787   3.245
  503    QD1  LEU  48           QD1      LEU  48  10.703   6.800   1.736
  504    QD2  LEU  48           QD2      LEU  48   9.823   4.494   3.571
  505    QQD  LEU  48           QQD      LEU  48  10.263   5.647   2.653
  506    H    GLN  49           HN       GLN  49  14.989   4.696   4.444
  507    HA   GLN  49           HA       GLN  49  15.087   1.997   3.667
  508   1HB   GLN  49          2HB       GLN  49  16.976   3.562   3.342
  509   2HB   GLN  49          3HB       GLN  49  17.194   3.698   5.076
  510   1HG   GLN  49          2HG       GLN  49  17.634   1.190   5.128
  511   2HG   GLN  49          3HG       GLN  49  17.635   1.225   3.370
  512   1HE2  GLN  49          2HE2      GLN  49  20.961   2.257   5.306
  513   2HE2  GLN  49          1HE2      GLN  49  19.671   1.402   6.007
  514    QB   GLN  49           QB       GLN  49  17.085   3.630   4.209
  515    QG   GLN  49           QG       GLN  49  17.634   1.207   4.249
  516    QE2  GLN  49           QE2      GLN  49  20.316   1.829   5.656
  517    H    GLN  50           HN       GLN  50  15.910   3.445   6.755
  518    HA   GLN  50           HA       GLN  50  16.317   1.181   8.341
  519   1HB   GLN  50          2HB       GLN  50  16.631   3.619   8.970
  520   2HB   GLN  50          3HB       GLN  50  14.906   3.761   9.139
  521   1HG   GLN  50          2HG       GLN  50  16.414   1.641  10.673
  522   2HG   GLN  50          3HG       GLN  50  16.311   3.290  11.271
  523   1HE2  GLN  50          2HE2      GLN  50  12.493   2.537  11.042
  524   2HE2  GLN  50          1HE2      GLN  50  13.435   3.258   9.836
  525    QB   GLN  50           QB       GLN  50  15.768   3.690   9.054
  526    QG   GLN  50           QG       GLN  50  16.362   2.466  10.972
  527    QE2  GLN  50           QE2      GLN  50  12.964   2.897  10.439
  528    H    LYS  51           HN       LYS  51  13.366   2.858   7.567
  529    HA   LYS  51           HA       LYS  51  11.542   1.291   9.082
  530   1HB   LYS  51          2HB       LYS  51  11.425   3.556   7.488
  531   2HB   LYS  51          3HB       LYS  51  10.523   2.407   6.532
  532   1HG   LYS  51          2HG       LYS  51   9.982   2.885   9.477
  533   2HG   LYS  51          3HG       LYS  51   9.147   3.745   8.189
  534   1HD   LYS  51          2HD       LYS  51   8.302   1.656   7.267
  535   2HD   LYS  51          3HD       LYS  51   9.241   0.719   8.426
  536   1HE   LYS  51          2HE       LYS  51   7.970   1.734  10.283
  537   2HE   LYS  51          3HE       LYS  51   7.028   2.667   9.127
  538   1HZ   LYS  51          2HZ       LYS  51   6.948  -0.037   8.342
  539   2HZ   LYS  51          3HZ       LYS  51   6.591   0.022   9.998
  540   3HZ   LYS  51          1HZ       LYS  51   5.675   0.938   8.892
  541    QB   LYS  51           QB       LYS  51  10.974   2.981   7.010
  542    QG   LYS  51           QG       LYS  51   9.564   3.315   8.833
  543    QD   LYS  51           QD       LYS  51   8.771   1.187   7.846
  544    QE   LYS  51           QE       LYS  51   7.499   2.201   9.705
  545    QZ   LYS  51           QZ       LYS  51   6.405   0.307   9.078
  546    H    ALA  52           HN       ALA  52  12.447   1.052   5.691
  547    HA   ALA  52           HA       ALA  52  10.783  -1.200   5.071
  548   1HB   ALA  52          2HB       ALA  52  11.638   0.366   3.355
  549   2HB   ALA  52          3HB       ALA  52  13.281  -0.169   3.679
  550   3HB   ALA  52          1HB       ALA  52  12.113  -1.280   2.981
  551    QB   ALA  52           QB       ALA  52  12.344  -0.361   3.339
  552    H    GLY  53           HN       GLY  53  14.258  -0.977   5.737
  553   1HA   GLY  53          1HA       GLY  53  15.439  -2.759   6.932
  554   2HA   GLY  53          2HA       GLY  53  14.257  -3.914   6.306
  555    QA   GLY  53           QA       GLY  53  14.848  -3.336   6.619
  556    H    LYS  54           HN       LYS  54  14.198  -2.782   3.689
  557    HA   LYS  54           HA       LYS  54  16.531  -4.102   2.525
  558   1HB   LYS  54          2HB       LYS  54  14.250  -4.375   1.571
  559   2HB   LYS  54          3HB       LYS  54  14.170  -2.647   1.262
  560   1HG   LYS  54          2HG       LYS  54  16.018  -2.806  -0.350
  561   2HG   LYS  54          3HG       LYS  54  16.230  -4.515   0.029
  562   1HD   LYS  54          2HD       LYS  54  13.948  -5.002  -0.783
  563   2HD   LYS  54          3HD       LYS  54  13.690  -3.293  -1.114
  564   1HE   LYS  54          2HE       LYS  54  15.323  -3.275  -2.868
  565   2HE   LYS  54          3HE       LYS  54  15.952  -4.852  -2.403
  566   1HZ   LYS  54          2HZ       LYS  54  13.201  -5.133  -2.939
  567   2HZ   LYS  54          3HZ       LYS  54  13.902  -4.252  -4.216
  568   3HZ   LYS  54          1HZ       LYS  54  14.516  -5.778  -3.795
  569    QB   LYS  54           QB       LYS  54  14.210  -3.511   1.417
  570    QG   LYS  54           QG       LYS  54  16.124  -3.661  -0.161
  571    QD   LYS  54           QD       LYS  54  13.819  -4.147  -0.948
  572    QE   LYS  54           QE       LYS  54  15.638  -4.064  -2.635
  573    QZ   LYS  54           QZ       LYS  54  13.873  -5.054  -3.650
  574    HA   PRO  55           HA       PRO  55  19.013  -0.376   1.641
  575   1HB   PRO  55          2HB       PRO  55  19.380  -2.016  -0.855
  576   2HB   PRO  55          3HB       PRO  55  20.588  -1.145   0.103
  577   1HG   PRO  55          2HG       PRO  55  20.290  -3.847   0.305
  578   2HG   PRO  55          3HG       PRO  55  20.752  -2.861   1.697
  579   1HD   PRO  55          2HD       PRO  55  18.142  -4.184   1.113
  580   2HD   PRO  55          3HD       PRO  55  18.823  -3.698   2.680
  581    QB   PRO  55           QB       PRO  55  19.984  -1.581  -0.376
  582    QG   PRO  55           QG       PRO  55  20.521  -3.354   1.001
  583    QD   PRO  55           QD       PRO  55  18.483  -3.941   1.897
  584    H    VAL  56           HN       VAL  56  17.400   1.070   1.433
  585    HA   VAL  56           HA       VAL  56  15.559   2.161   0.633
  586    HB   VAL  56           HB       VAL  56  16.361   3.115  -1.677
  587   1HG1  VAL  56          2HG1      VAL  56  16.199   4.332   0.434
  588   2HG1  VAL  56          3HG1      VAL  56  17.722   3.625   0.967
  589   3HG1  VAL  56          1HG1      VAL  56  17.694   4.736  -0.406
  590   1HG2  VAL  56          1HG2      VAL  56  18.166   1.459  -2.023
  591   2HG2  VAL  56          2HG2      VAL  56  18.819   3.084  -1.857
  592   3HG2  VAL  56          3HG2      VAL  56  18.897   1.966  -0.504
  593    QG1  VAL  56           QG1      VAL  56  17.205   4.231   0.332
  594    QG2  VAL  56           QG2      VAL  56  18.627   2.170  -1.461
  595    QQG  VAL  56           QQG      VAL  56  17.916   3.200  -0.565
  596    H    GLU  57           HN       GLU  57  16.442   1.390  -2.560
  597    HA   GLU  57           HA       GLU  57  15.406  -0.154  -4.123
  598   1HB   GLU  57          2HB       GLU  57  13.875  -1.132  -2.308
  599   2HB   GLU  57          3HB       GLU  57  12.862   0.282  -2.481
  600   1HG   GLU  57          2HG       GLU  57  12.205  -1.898  -3.758
  601   2HG   GLU  57          3HG       GLU  57  12.075  -0.371  -4.599
  602    QB   GLU  57           QB       GLU  57  13.369  -0.425  -2.394
  603    QG   GLU  57           QG       GLU  57  12.140  -1.134  -4.178
  604    H    THR  58           HN       THR  58  13.112   0.707  -5.391
  605    HA   THR  58           HA       THR  58  13.667   3.608  -5.752
  606    HB   THR  58           HB       THR  58  12.442   3.093  -8.004
  607    HG1  THR  58          1HG       THR  58  13.036   0.428  -7.298
  608   1HG2  THR  58          2HG2      THR  58  14.872   1.355  -7.340
  609   2HG2  THR  58          3HG2      THR  58  14.359   1.843  -8.955
  610   3HG2  THR  58          1HG2      THR  58  14.983   3.042  -7.829
  611    QG2  THR  58           QG2      THR  58  14.738   2.080  -8.041
  612    H    VAL  59           HN       VAL  59  11.034   3.966  -7.107
  613    HA   VAL  59           HA       VAL  59   9.253   3.628  -4.733
  614    HB   VAL  59           HB       VAL  59   8.172   5.795  -5.395
  615   1HG1  VAL  59          3HG1      VAL  59  11.164   5.950  -4.863
  616   2HG1  VAL  59          1HG1      VAL  59  10.015   7.257  -4.588
  617   3HG1  VAL  59          2HG1      VAL  59   9.912   5.777  -3.637
  618   1HG2  VAL  59          1HG2      VAL  59  10.522   5.998  -7.303
  619   2HG2  VAL  59          2HG2      VAL  59   8.841   5.790  -7.775
  620   3HG2  VAL  59          3HG2      VAL  59   9.358   7.273  -6.985
  621    QG1  VAL  59           QG1      VAL  59  10.364   6.328  -4.363
  622    QG2  VAL  59           QG2      VAL  59   9.574   6.354  -7.354
  623    QQG  VAL  59           QQG      VAL  59   9.969   6.341  -5.859
  624    HA   PRO  60           HA       PRO  60   7.200   4.181  -4.422
  625   1HB   PRO  60          2HB       PRO  60   4.739   3.076  -4.143
  626   2HB   PRO  60          3HB       PRO  60   5.025   4.416  -5.262
  627   1HG   PRO  60          2HG       PRO  60   4.600   1.506  -5.876
  628   2HG   PRO  60          3HG       PRO  60   4.215   2.911  -6.867
  629   1HD   PRO  60          2HD       PRO  60   6.527   1.231  -7.086
  630   2HD   PRO  60          3HD       PRO  60   6.202   2.724  -7.993
  631    QB   PRO  60           QB       PRO  60   4.882   3.746  -4.702
  632    QG   PRO  60           QG       PRO  60   4.407   2.209  -6.372
  633    QD   PRO  60           QD       PRO  60   6.365   1.977  -7.539
  634    H    GLN  61           HN       GLN  61   6.871   3.224  -2.224
  635    HA   GLN  61           HA       GLN  61   7.545   0.298  -2.195
  636   1HB   GLN  61          2HB       GLN  61   8.207   2.478  -0.178
  637   2HB   GLN  61          3HB       GLN  61   8.565   0.765   0.045
  638   1HG   GLN  61          2HG       GLN  61   9.749   0.931  -2.275
  639   2HG   GLN  61          3HG       GLN  61   9.693   2.670  -2.022
  640   1HE2  GLN  61          2HE2      GLN  61  12.887   2.070  -0.553
  641   2HE2  GLN  61          1HE2      GLN  61  12.070   2.589  -1.961
  642    QB   GLN  61           QB       GLN  61   8.386   1.622  -0.067
  643    QG   GLN  61           QG       GLN  61   9.721   1.800  -2.149
  644    QE2  GLN  61           QE2      GLN  61  12.479   2.330  -1.257
  645    H    ILE  62           HN       ILE  62   6.404  -1.003  -0.613
  646    HA   ILE  62           HA       ILE  62   3.929   0.340   0.388
  647    HB   ILE  62           HB       ILE  62   4.136  -2.520  -0.614
  648   1HG1  ILE  62          2HG1      ILE  62   3.324   0.087  -1.939
  649   2HG1  ILE  62          3HG1      ILE  62   4.468  -1.114  -2.512
  650   1HG2  ILE  62          2HG2      ILE  62   2.343  -2.105   1.069
  651   2HG2  ILE  62          3HG2      ILE  62   1.740  -0.768   0.100
  652   3HG2  ILE  62          1HG2      ILE  62   1.649  -2.413  -0.516
  653   1HD1  ILE  62          3HD1      ILE  62   2.608  -2.717  -2.846
  654   2HD1  ILE  62          1HD1      ILE  62   1.461  -1.496  -2.314
  655   3HD1  ILE  62          2HD1      ILE  62   2.381  -1.255  -3.791
  656    QG1  ILE  62           QG1      ILE  62   3.896  -0.514  -2.225
  657    QG2  ILE  62           QG2      ILE  62   1.911  -1.762   0.218
  658    QD1  ILE  62           QD1      ILE  62   2.150  -1.823  -2.984
  659    H    PHE  63           HN       PHE  63   3.150  -0.161   2.293
  660    HA   PHE  63           HA       PHE  63   4.601  -2.157   3.984
  661   1HB   PHE  63          2HB       PHE  63   4.013   0.728   4.725
  662   2HB   PHE  63          3HB       PHE  63   4.441  -0.499   5.901
  663    HD1  PHE  63          2HD       PHE  63   5.772   0.985   2.693
  664    HD2  PHE  63          1HD       PHE  63   6.685  -0.815   6.443
  665    HE1  PHE  63          2HE       PHE  63   8.151   1.496   2.362
  666    HE2  PHE  63          1HE       PHE  63   9.063  -0.271   6.120
  667    HZ   PHE  63           HZ       PHE  63   9.792   0.922   4.107
  668    QB   PHE  63           QB       PHE  63   4.227   0.115   5.313
  669    QR   PHE  63           QR       PHE  63   7.418   0.349   4.405
  670    H    VAL  64           HN       VAL  64   3.310  -2.756   5.864
  671    HA   VAL  64           HA       VAL  64   0.383  -2.198   5.481
  672    HB   VAL  64           HB       VAL  64   1.746  -4.865   6.008
  673   1HG1  VAL  64          2HG1      VAL  64  -1.212  -4.172   6.017
  674   2HG1  VAL  64          3HG1      VAL  64  -0.552  -5.803   6.105
  675   3HG1  VAL  64          1HG1      VAL  64  -0.265  -4.669   7.418
  676   1HG2  VAL  64          1HG2      VAL  64   1.663  -4.098   3.640
  677   2HG2  VAL  64          2HG2      VAL  64   0.656  -5.515   3.897
  678   3HG2  VAL  64          3HG2      VAL  64  -0.085  -3.924   3.770
  679    QG1  VAL  64           QG1      VAL  64  -0.677  -4.881   6.513
  680    QG2  VAL  64           QG2      VAL  64   0.745  -4.512   3.769
  681    QQG  VAL  64           QQG      VAL  64   0.034  -4.697   5.141
  682    H    ASP  65           HN       ASP  65  -0.620  -1.601   7.334
  683    HA   ASP  65           HA       ASP  65  -0.788  -0.849   9.522
  684   1HB   ASP  65          2HB       ASP  65  -0.691  -3.614   9.411
  685   2HB   ASP  65          3HB       ASP  65   0.446  -3.233  10.697
  686    QB   ASP  65           QB       ASP  65  -0.122  -3.424  10.054
  687    H    GLN  66           HN       GLN  66   2.055  -2.741  10.071
  688    HA   GLN  66           HA       GLN  66   3.660  -0.287  10.444
  689   1HB   GLN  66          2HB       GLN  66   4.611  -1.431  12.572
  690   2HB   GLN  66          3HB       GLN  66   3.037  -0.662  12.681
  691   1HG   GLN  66          2HG       GLN  66   2.259  -3.174  11.945
  692   2HG   GLN  66          3HG       GLN  66   3.743  -3.556  12.804
  693   1HE2  GLN  66          2HE2      GLN  66   0.506  -2.283  14.859
  694   2HE2  GLN  66          1HE2      GLN  66   0.445  -2.458  13.177
  695    QB   GLN  66           QB       GLN  66   3.824  -1.047  12.626
  696    QG   GLN  66           QG       GLN  66   3.001  -3.365  12.375
  697    QE2  GLN  66           QE2      GLN  66   0.475  -2.370  14.018
  698    H    GLN  67           HN       GLN  67   3.420  -3.449   9.292
  699    HA   GLN  67           HA       GLN  67   6.285  -4.047   9.347
  700   1HB   GLN  67          2HB       GLN  67   5.512  -6.106   8.105
  701   2HB   GLN  67          3HB       GLN  67   4.789  -5.923   9.679
  702   1HG   GLN  67          2HG       GLN  67   3.302  -4.727   7.384
  703   2HG   GLN  67          3HG       GLN  67   3.349  -6.479   7.453
  704   1HE2  GLN  67          2HE2      GLN  67   0.642  -6.353   9.719
  705   2HE2  GLN  67          1HE2      GLN  67   1.268  -7.005   8.283
  706    QB   GLN  67           QB       GLN  67   5.150  -6.015   8.892
  707    QG   GLN  67           QG       GLN  67   3.325  -5.603   7.418
  708    QE2  GLN  67           QE2      GLN  67   0.955  -6.679   9.001
  709    H    HIS  68           HN       HIS  68   7.244  -4.818   7.235
  710    HA   HIS  68           HA       HIS  68   6.578  -2.861   5.068
  711   1HB   HIS  68          2HB       HIS  68   8.783  -2.487   6.055
  712   2HB   HIS  68          3HB       HIS  68   9.196  -4.167   5.862
  713    HD1  HIS  68           HD1      HIS  68  11.060  -3.920   4.283
  714    HD2  HIS  68           HD2      HIS  68   7.781  -1.839   2.909
  715    HE1  HIS  68           HE1      HIS  68  11.541  -3.313   1.884
  716    QB   HIS  68           QB       HIS  68   8.990  -3.327   5.958
  717    H    ILE  69           HN       ILE  69   6.281  -3.688   2.974
  718    HA   ILE  69           HA       ILE  69   6.431  -6.683   2.816
  719    HB   ILE  69           HB       ILE  69   4.776  -4.902   1.000
  720   1HG1  ILE  69          2HG1      ILE  69   3.896  -4.525   3.236
  721   2HG1  ILE  69          3HG1      ILE  69   2.805  -5.608   2.393
  722   1HG2  ILE  69          2HG2      ILE  69   4.720  -7.872   1.660
  723   2HG2  ILE  69          3HG2      ILE  69   3.583  -7.066   0.594
  724   3HG2  ILE  69          1HG2      ILE  69   5.283  -7.154   0.158
  725   1HD1  ILE  69          3HD1      ILE  69   3.832  -7.548   3.561
  726   2HD1  ILE  69          1HD1      ILE  69   4.923  -6.463   4.408
  727   3HD1  ILE  69          2HD1      ILE  69   3.194  -6.380   4.706
  728    QG1  ILE  69           QG1      ILE  69   3.351  -5.066   2.814
  729    QG2  ILE  69           QG2      ILE  69   4.529  -7.364   0.804
  730    QD1  ILE  69           QD1      ILE  69   3.983  -6.797   4.225
  731    H    GLY  70           HN       GLY  70   7.214  -3.662   1.199
  732   1HA   GLY  70          1HA       GLY  70   9.570  -3.890   0.113
  733   2HA   GLY  70          2HA       GLY  70   8.857  -5.241  -0.763
  734    QA   GLY  70           QA       GLY  70   9.214  -4.566  -0.325
  735    H    GLY  71           HN       GLY  71   8.726  -4.500  -2.837
  736   1HA   GLY  71          1HA       GLY  71   7.592  -1.763  -3.266
  737   2HA   GLY  71          2HA       GLY  71   8.539  -2.663  -4.443
  738    QA   GLY  71           QA       GLY  71   8.065  -2.213  -3.855
  739    OH   TYR  72           OH       TYR  72  -0.541  -3.091  -9.635
  740    H    TYR  72           HN       TYR  72   6.231  -1.575  -5.236
  741    HA   TYR  72           HA       TYR  72   3.778  -2.784  -5.071
  742   1HB   TYR  72          2HB       TYR  72   4.288  -0.889  -6.567
  743   2HB   TYR  72          3HB       TYR  72   5.162  -1.968  -7.646
  744    HD1  TYR  72           HD2      TYR  72   1.832  -2.165  -5.904
  745    HD2  TYR  72           HD1      TYR  72   3.934  -2.404  -9.593
  746    HE1  TYR  72           HE2      TYR  72  -0.266  -2.627  -7.068
  747    HE2  TYR  72           HE1      TYR  72   1.831  -2.877 -10.759
  748    HH   TYR  72           HH       TYR  72  -0.505  -4.026  -9.887
  749    QB   TYR  72           QB       TYR  72   4.725  -1.429  -7.106
  750    QR   TYR  72           QR       TYR  72   1.833  -2.518  -8.331
  751    H    THR  73           HN       THR  73   6.264  -3.965  -7.355
  752    HA   THR  73           HA       THR  73   4.940  -6.143  -8.453
  753    HB   THR  73           HB       THR  73   7.341  -7.211  -8.488
  754    HG1  THR  73          1HG       THR  73   8.580  -6.331  -6.961
  755   1HG2  THR  73          2HG2      THR  73   6.575  -5.530 -10.264
  756   2HG2  THR  73          3HG2      THR  73   7.186  -4.242  -9.233
  757   3HG2  THR  73          1HG2      THR  73   8.295  -5.429  -9.912
  758    QG2  THR  73           QG2      THR  73   7.352  -5.067  -9.803
  759    H    ASP  74           HN       ASP  74   7.169  -6.502  -5.841
  760    HA   ASP  74           HA       ASP  74   6.558  -9.070  -4.971
  761   1HB   ASP  74          2HB       ASP  74   7.162  -7.009  -2.869
  762   2HB   ASP  74          3HB       ASP  74   7.907  -8.580  -3.130
  763    QB   ASP  74           QB       ASP  74   7.535  -7.795  -2.999
  764    H    PHE  75           HN       PHE  75   5.228  -6.037  -3.726
  765    HA   PHE  75           HA       PHE  75   3.502  -6.960  -1.763
  766   1HB   PHE  75          2HB       PHE  75   3.809  -4.562  -2.354
  767   2HB   PHE  75          3HB       PHE  75   2.859  -4.811  -3.811
  768    HD1  PHE  75          2HD       PHE  75   2.503  -5.559  -0.122
  769    HD2  PHE  75          1HD       PHE  75   0.637  -4.146  -3.672
  770    HE1  PHE  75          2HE       PHE  75   0.468  -5.044   1.148
  771    HE2  PHE  75          1HE       PHE  75  -1.402  -3.637  -2.397
  772    HZ   PHE  75           HZ       PHE  75  -1.492  -4.097   0.017
  773    QB   PHE  75           QB       PHE  75   3.334  -4.686  -3.082
  774    QR   PHE  75           QR       PHE  75   0.551  -4.596  -1.261
  775    H    ALA  76           HN       ALA  76   2.792  -6.851  -5.258
  776    HA   ALA  76           HA       ALA  76   0.134  -7.644  -5.322
  777   1HB   ALA  76          1HB       ALA  76   1.498  -7.354  -7.363
  778   2HB   ALA  76          2HB       ALA  76   2.339  -8.861  -7.017
  779   3HB   ALA  76          3HB       ALA  76   0.621  -8.881  -7.410
  780    QB   ALA  76           QB       ALA  76   1.486  -8.366  -7.263
  781    H    ALA  77           HN       ALA  77   2.889  -9.840  -4.833
  782    HA   ALA  77           HA       ALA  77   1.275 -12.230  -4.600
  783   1HB   ALA  77          2HB       ALA  77   4.002 -11.588  -3.374
  784   2HB   ALA  77          3HB       ALA  77   3.300 -13.200  -3.486
  785   3HB   ALA  77          1HB       ALA  77   3.734 -12.326  -4.951
  786    QB   ALA  77           QB       ALA  77   3.678 -12.371  -3.937
  787    CH2  TRP  78           CH2      TRP  78  -1.510  -6.937   3.542
  788    H    TRP  78           HN       TRP  78   2.597 -10.008  -2.185
  789    HA   TRP  78           HA       TRP  78   1.675 -11.291   0.180
  790   1HB   TRP  78          2HB       TRP  78   3.113  -9.280   0.188
  791   2HB   TRP  78          3HB       TRP  78   1.796  -8.315  -0.413
  792    HD1  TRP  78           HD1      TRP  78   3.034 -10.016   2.818
  793    HE1  TRP  78           HE1      TRP  78   1.615  -9.316   4.767
  794    HE3  TRP  78           HE3      TRP  78  -0.409  -7.316   0.349
  795    HZ2  TRP  78           HZ2      TRP  78  -0.586  -7.748   5.283
  796    HZ3  TRP  78           HZ3      TRP  78  -2.215  -6.244   1.654
  797    HH2  TRP  78           HH2      TRP  78  -2.308  -6.459   4.096
  798    QB   TRP  78           QB       TRP  78   2.455  -8.798  -0.112
  799    H    VAL  79           HN       VAL  79   0.087  -9.000  -1.962
  800    HA   VAL  79           HA       VAL  79  -2.385  -8.778  -0.588
  801    HB   VAL  79           HB       VAL  79  -1.752  -8.651  -3.556
  802   1HG1  VAL  79          2HG1      VAL  79  -4.237  -7.696  -2.095
  803   2HG1  VAL  79          3HG1      VAL  79  -3.874  -7.395  -3.785
  804   3HG1  VAL  79          1HG1      VAL  79  -4.177  -9.034  -3.231
  805   1HG2  VAL  79          2HG2      VAL  79  -2.058  -6.560  -1.372
  806   2HG2  VAL  79          3HG2      VAL  79  -0.569  -6.991  -2.202
  807   3HG2  VAL  79          1HG2      VAL  79  -1.861  -6.180  -3.073
  808    QG1  VAL  79           QG1      VAL  79  -4.096  -8.042  -3.037
  809    QG2  VAL  79           QG2      VAL  79  -1.496  -6.577  -2.215
  810    QQG  VAL  79           QQG      VAL  79  -2.796  -7.309  -2.626
  811    H    LYS  80           HN       LYS  80  -1.198 -11.288  -2.756
  812    HA   LYS  80           HA       LYS  80  -3.841 -12.599  -2.768
  813   1HB   LYS  80          2HB       LYS  80  -2.410 -12.618  -4.808
  814   2HB   LYS  80          3HB       LYS  80  -1.162 -13.454  -3.921
  815   1HG   LYS  80          2HG       LYS  80  -2.594 -14.919  -5.425
  816   2HG   LYS  80          3HG       LYS  80  -2.396 -15.476  -3.784
  817   1HD   LYS  80          2HD       LYS  80  -4.701 -14.160  -3.401
  818   2HD   LYS  80          3HD       LYS  80  -4.840 -14.345  -5.141
  819   1HE   LYS  80          2HE       LYS  80  -5.907 -16.266  -4.204
  820   2HE   LYS  80          3HE       LYS  80  -4.339 -16.838  -4.763
  821   1HZ   LYS  80          2HZ       LYS  80  -4.126 -15.874  -2.104
  822   2HZ   LYS  80          3HZ       LYS  80  -5.401 -16.971  -2.181
  823   3HZ   LYS  80          1HZ       LYS  80  -3.831 -17.441  -2.681
  824    QB   LYS  80           QB       LYS  80  -1.786 -13.036  -4.365
  825    QG   LYS  80           QG       LYS  80  -2.495 -15.197  -4.604
  826    QD   LYS  80           QD       LYS  80  -4.771 -14.253  -4.271
  827    QE   LYS  80           QE       LYS  80  -5.123 -16.552  -4.483
  828    QZ   LYS  80           QZ       LYS  80  -4.453 -16.762  -2.322
  829    H    GLU  81           HN       GLU  81  -1.973 -12.353  -0.301
  830    HA   GLU  81           HA       GLU  81  -2.426 -15.182   0.560
  831   1HB   GLU  81          2HB       GLU  81   0.140 -13.579   0.985
  832   2HB   GLU  81          3HB       GLU  81  -0.184 -15.152   1.705
  833   1HG   GLU  81          2HG       GLU  81  -0.314 -16.172  -0.530
  834   2HG   GLU  81          3HG       GLU  81  -0.104 -14.596  -1.286
  835    QB   GLU  81           QB       GLU  81  -0.022 -14.365   1.345
  836    QG   GLU  81           QG       GLU  81  -0.209 -15.384  -0.908
  837    H    ASN  82           HN       ASN  82  -1.595 -11.902   1.634
  838    HA   ASN  82           HA       ASN  82  -2.459 -12.566   4.377
  839   1HB   ASN  82          2HB       ASN  82  -1.376 -10.063   3.073
  840   2HB   ASN  82          3HB       ASN  82  -2.039 -10.027   4.699
  841   1HD2  ASN  82          2HD2      ASN  82   1.204 -12.514   4.330
  842   2HD2  ASN  82          1HD2      ASN  82  -0.057 -12.632   3.196
  843    QB   ASN  82           QB       ASN  82  -1.708 -10.045   3.886
  844    QD2  ASN  82           QD2      ASN  82   0.574 -12.573   3.763
  845    H    LEU  83           HN       LEU  83  -4.117 -11.797   1.612
  846    HA   LEU  83           HA       LEU  83  -6.286 -10.503   3.227
  847   1HB   LEU  83          2HB       LEU  83  -5.617 -10.043   0.301
  848   2HB   LEU  83          3HB       LEU  83  -6.967  -9.318   1.156
  849    HG   LEU  83           HG       LEU  83  -4.053  -8.975   1.977
  850   1HD1  LEU  83          1HD1      LEU  83  -4.584  -7.951  -0.225
  851   2HD1  LEU  83          2HD1      LEU  83  -5.902  -7.058   0.520
  852   3HD1  LEU  83          3HD1      LEU  83  -4.236  -6.745   0.993
  853   1HD2  LEU  83          3HD2      LEU  83  -6.615  -7.561   2.843
  854   2HD2  LEU  83          1HD2      LEU  83  -5.682  -8.676   3.832
  855   3HD2  LEU  83          2HD2      LEU  83  -4.992  -7.128   3.374
  856    QB   LEU  83           QB       LEU  83  -6.292  -9.680   0.729
  857    QD1  LEU  83           QD1      LEU  83  -4.908  -7.251   0.430
  858    QD2  LEU  83           QD2      LEU  83  -5.763  -7.788   3.349
  859    QQD  LEU  83           QQD      LEU  83  -5.335  -7.520   1.890
  860    H    ASP  84           HN       ASP  84  -5.610 -13.319   2.406
  861    HA   ASP  84           HA       ASP  84  -7.921 -14.039   0.741
  862   1HB   ASP  84          2HB       ASP  84  -5.588 -15.533   1.973
  863   2HB   ASP  84          3HB       ASP  84  -6.886 -16.383   1.154
  864    QB   ASP  84           QB       ASP  84  -6.237 -15.958   1.564
  865    H    ALA  85           HN       ALA  85  -8.672 -12.722   2.904
  866    HA   ALA  85           HA       ALA  85 -10.586 -14.335   4.229
  867   1HB   ALA  85          2HB       ALA  85  -8.180 -13.591   5.933
  868   2HB   ALA  85          3HB       ALA  85  -9.671 -14.305   6.538
  869   3HB   ALA  85          1HB       ALA  85  -8.627 -15.230   5.462
  870    QB   ALA  85           QB       ALA  85  -8.826 -14.375   5.977
   
  Start of MODEL           6
 Raw file had 870 H/Q atoms
  Start of MODEL    6
    1    H    MET   1           HN       MET   1  -7.668  -4.591   7.843
    2    HA   MET   1           HA       MET   1  -6.134  -3.395   9.003
    3   1HB   MET   1          2HB       MET   1  -3.721  -3.960   8.661
    4   2HB   MET   1          3HB       MET   1  -4.724  -5.382   8.840
    5   1HG   MET   1          2HG       MET   1  -3.856  -4.235   6.180
    6   2HG   MET   1          3HG       MET   1  -3.031  -5.524   7.003
    7   1HE   MET   1          1HE       MET   1  -5.723  -4.181   5.096
    8   2HE   MET   1          2HE       MET   1  -5.146  -5.263   3.839
    9   3HE   MET   1          3HE       MET   1  -6.755  -5.491   4.533
   10    QB   MET   1           QB       MET   1  -4.223  -4.671   8.751
   11    QG   MET   1           QG       MET   1  -3.444  -4.879   6.591
   12    QE   MET   1           QE       MET   1  -5.875  -4.978   4.490
   13    H    GLN   2           HN       GLN   2  -3.630  -2.184   8.094
   14    HA   GLN   2           HA       GLN   2  -4.761  -0.207   6.240
   15   1HB   GLN   2          2HB       GLN   2  -2.859  -0.044   8.566
   16   2HB   GLN   2          3HB       GLN   2  -3.023   1.269   7.421
   17   1HG   GLN   2          2HG       GLN   2  -5.348   1.572   7.940
   18   2HG   GLN   2          3HG       GLN   2  -5.430   0.040   8.798
   19   1HE2  GLN   2          1HE2      GLN   2  -3.445   1.488  11.570
   20   2HE2  GLN   2          2HE2      GLN   2  -3.275   0.147  10.548
   21    QB   GLN   2           QB       GLN   2  -2.941   0.612   7.993
   22    QG   GLN   2           QG       GLN   2  -5.389   0.806   8.369
   23    QE2  GLN   2           QE2      GLN   2  -3.360   0.817  11.059
   24    H    THR   3           HN       THR   3  -3.143   0.947   4.895
   25    HA   THR   3           HA       THR   3  -0.617  -0.484   4.329
   26    HB   THR   3           HB       THR   3  -2.861  -0.294   2.263
   27    HG1  THR   3          1HG       THR   3  -2.085  -2.092   4.079
   28   1HG2  THR   3          2HG2      THR   3  -0.028  -1.409   1.986
   29   2HG2  THR   3          3HG2      THR   3  -1.277  -1.456   0.749
   30   3HG2  THR   3          1HG2      THR   3  -0.575   0.085   1.229
   31    QG2  THR   3           QG2      THR   3  -0.627  -0.926   1.321
   32    H    VAL   4           HN       VAL   4   0.895   1.078   3.995
   33    HA   VAL   4           HA       VAL   4  -0.077   3.738   3.017
   34    HB   VAL   4           HB       VAL   4   2.542   3.269   4.452
   35   1HG1  VAL   4          2HG1      VAL   4   0.794   5.705   3.957
   36   2HG1  VAL   4          3HG1      VAL   4   2.268   5.716   4.913
   37   3HG1  VAL   4          1HG1      VAL   4   2.342   5.360   3.193
   38   1HG2  VAL   4          2HG2      VAL   4   0.704   2.534   5.958
   39   2HG2  VAL   4          3HG2      VAL   4   1.443   4.023   6.529
   40   3HG2  VAL   4          1HG2      VAL   4  -0.107   4.068   5.707
   41    QG1  VAL   4           QG1      VAL   4   1.801   5.594   4.021
   42    QG2  VAL   4           QG2      VAL   4   0.680   3.542   6.065
   43    QQG  VAL   4           QQG      VAL   4   1.241   4.568   5.043
   44    H    ILE   5           HN       ILE   5   0.763   4.593   1.258
   45    HA   ILE   5           HA       ILE   5   2.859   3.064  -0.223
   46    HB   ILE   5           HB       ILE   5   0.626   4.936  -1.133
   47   1HG1  ILE   5          2HG1      ILE   5  -0.104   3.034  -2.508
   48   2HG1  ILE   5          3HG1      ILE   5   1.224   2.064  -1.895
   49   1HG2  ILE   5          3HG2      ILE   5   2.845   3.717  -2.804
   50   2HG2  ILE   5          1HG2      ILE   5   1.441   4.553  -3.454
   51   3HG2  ILE   5          2HG2      ILE   5   2.619   5.433  -2.483
   52   1HD1  ILE   5          2HD1      ILE   5  -0.961   3.232  -0.144
   53   2HD1  ILE   5          3HD1      ILE   5  -0.964   1.589  -0.773
   54   3HD1  ILE   5          1HD1      ILE   5   0.283   2.088   0.349
   55    QG1  ILE   5           QG1      ILE   5   0.560   2.549  -2.202
   56    QG2  ILE   5           QG2      ILE   5   2.302   4.568  -2.914
   57    QD1  ILE   5           QD1      ILE   5  -0.547   2.303  -0.189
   58    H    PHE   6           HN       PHE   6   4.778   4.050   0.550
   59    HA   PHE   6           HA       PHE   6   4.916   7.033   0.543
   60   1HB   PHE   6          2HB       PHE   6   6.932   4.926   1.415
   61   2HB   PHE   6          3HB       PHE   6   7.281   6.645   1.385
   62    HD1  PHE   6          2HD       PHE   6   5.106   4.075   2.944
   63    HD2  PHE   6          1HD       PHE   6   6.545   8.081   3.171
   64    HE1  PHE   6          2HE       PHE   6   4.268   4.252   5.245
   65    HE2  PHE   6          1HE       PHE   6   5.663   8.268   5.458
   66    HZ   PHE   6           HZ       PHE   6   4.502   6.361   6.484
   67    QB   PHE   6           QB       PHE   6   7.106   5.785   1.400
   68    QR   PHE   6           QR       PHE   6   5.395   6.169   4.205
   69    H    GLY   7           HN       GLY   7   4.852   7.445  -1.612
   70   1HA   GLY   7          1HA       GLY   7   7.137   6.379  -3.235
   71   2HA   GLY   7          2HA       GLY   7   5.532   6.557  -3.923
   72    QA   GLY   7           QA       GLY   7   6.335   6.468  -3.579
   73    NH1  ARG   8           NH2      ARG   8  11.151  13.532  -7.926
   74    NH2  ARG   8           NH1      ARG   8  12.210  13.317  -5.910
   75    H    ARG   8           HN       ARG   8   6.262   7.945  -5.514
   76    HA   ARG   8           HA       ARG   8   6.997  10.690  -4.569
   77   1HB   ARG   8          2HB       ARG   8   8.860   9.420  -5.759
   78   2HB   ARG   8          3HB       ARG   8   7.839   9.372  -7.187
   79   1HG   ARG   8          2HG       ARG   8   9.070  11.278  -7.643
   80   2HG   ARG   8          3HG       ARG   8   7.715  12.003  -6.790
   81   1HD   ARG   8          2HD       ARG   8   9.015  11.947  -4.673
   82   2HD   ARG   8          3HD       ARG   8  10.376  11.220  -5.536
   83    HE   ARG   8           HE       ARG   8   9.439  14.039  -5.835
   84   1HH1  ARG   8          2HH2      ARG   8  10.285  13.545  -8.428
   85   2HH1  ARG   8          1HH2      ARG   8  12.017  13.639  -8.418
   86   1HH2  ARG   8          2HH1      ARG   8  12.128  13.186  -4.919
   87   2HH2  ARG   8          1HH1      ARG   8  13.115  13.405  -6.325
   88    QB   ARG   8           QB       ARG   8   8.349   9.396  -6.473
   89    QG   ARG   8           QG       ARG   8   8.393  11.641  -7.217
   90    QD   ARG   8           QD       ARG   8   9.696  11.584  -5.105
   91    QH1  ARG   8           QH2      ARG   8  11.151  13.592  -8.423
   92    QH2  ARG   8           QH1      ARG   8  12.622  13.295  -5.622
   93    H    SER   9           HN       SER   9   5.410  12.107  -5.066
   94    HA   SER   9           HA       SER   9   3.251  11.398  -6.892
   95   1HB   SER   9          2HB       SER   9   3.838  14.121  -5.645
   96   2HB   SER   9          3HB       SER   9   2.274  13.525  -6.224
   97    HG   SER   9           HG       SER   9   3.744  12.816  -3.937
   98    QB   SER   9           QB       SER   9   3.056  13.823  -5.934
   99    H    GLY  10           HN       GLY  10   5.374  11.182  -8.387
  100   1HA   GLY  10          1HA       GLY  10   5.408  13.605 -10.139
  101   2HA   GLY  10          2HA       GLY  10   6.845  12.617  -9.885
  102    QA   GLY  10           QA       GLY  10   6.126  13.111 -10.012
  103    H    CYS  11           HN       CYS  11   5.742  10.060 -10.040
  104    HA   CYS  11           HA       CYS  11   4.852   9.997 -12.894
  105   1HB   CYS  11          2HB       CYS  11   7.059   9.024 -12.593
  106   2HB   CYS  11          3HB       CYS  11   6.500   8.054 -11.259
  107    HG   CYS  11           HG       CYS  11   5.548   6.358 -12.841
  108    QB   CYS  11           QB       CYS  11   6.779   8.539 -11.926
  109    HA   PRO  12           HA       PRO  12   1.327   7.707 -11.378
  110   1HB   PRO  12          2HB       PRO  12   0.917   6.176 -13.742
  111   2HB   PRO  12          3HB       PRO  12   0.144   7.700 -13.321
  112   1HG   PRO  12          2HG       PRO  12   2.201   7.198 -15.329
  113   2HG   PRO  12          3HG       PRO  12   1.301   8.687 -15.036
  114   1HD   PRO  12          2HD       PRO  12   4.045   8.128 -14.354
  115   2HD   PRO  12          3HD       PRO  12   3.133   9.616 -14.043
  116    QB   PRO  12           QB       PRO  12   0.531   6.938 -13.531
  117    QG   PRO  12           QG       PRO  12   1.751   7.942 -15.182
  118    QD   PRO  12           QD       PRO  12   3.589   8.872 -14.198
  119    OH   TYR  13           OH       TYR  13   7.662  -0.411 -11.339
  120    H    TYR  13           HN       TYR  13   3.691   6.736 -10.452
  121    HA   TYR  13           HA       TYR  13   3.696   3.816 -11.017
  122   1HB   TYR  13          2HB       TYR  13   5.835   5.466 -10.860
  123   2HB   TYR  13          3HB       TYR  13   5.711   5.031  -9.157
  124    HD1  TYR  13           HD2      TYR  13   5.674   3.469 -12.556
  125    HD2  TYR  13           HD1      TYR  13   6.693   2.967  -8.454
  126    HE1  TYR  13           HE2      TYR  13   6.592   1.264 -13.060
  127    HE2  TYR  13           HE1      TYR  13   7.632   0.758  -8.963
  128    HH   TYR  13           HH       TYR  13   7.484  -0.600 -12.267
  129    QB   TYR  13           QB       TYR  13   5.773   5.248 -10.009
  130    QR   TYR  13           QR       TYR  13   6.647   2.114 -10.758
  131    H    CYS  14           HN       CYS  14   3.904   5.982  -8.115
  132    HA   CYS  14           HA       CYS  14   3.194   3.997  -6.208
  133   1HB   CYS  14          2HB       CYS  14   1.912   6.678  -5.911
  134   2HB   CYS  14          3HB       CYS  14   2.730   5.706  -4.726
  135    HG   CYS  14           HG       CYS  14   3.921   8.060  -5.645
  136    QB   CYS  14           QB       CYS  14   2.321   6.192  -5.318
  137    H    VAL  15           HN       VAL  15   1.343   5.939  -8.363
  138    HA   VAL  15           HA       VAL  15  -1.285   5.603  -7.617
  139    HB   VAL  15           HB       VAL  15  -0.190   5.424 -10.452
  140   1HG1  VAL  15          3HG1      VAL  15  -2.920   6.261  -9.393
  141   2HG1  VAL  15          1HG1      VAL  15  -2.408   6.375 -11.071
  142   3HG1  VAL  15          2HG1      VAL  15  -2.580   4.798 -10.312
  143   1HG2  VAL  15          1HG2      VAL  15  -1.023   7.815  -8.750
  144   2HG2  VAL  15          2HG2      VAL  15   0.625   7.429  -9.227
  145   3HG2  VAL  15          3HG2      VAL  15  -0.555   7.896 -10.445
  146    QG1  VAL  15           QG1      VAL  15  -2.636   5.811 -10.259
  147    QG2  VAL  15           QG2      VAL  15  -0.318   7.714  -9.474
  148    QQG  VAL  15           QQG      VAL  15  -1.477   6.762  -9.866
  149    NH1  ARG  16           NH2      ARG  16  -1.051   3.650 -13.475
  150    NH2  ARG  16           NH1      ARG  16  -2.420   1.961 -14.189
  151    H    ARG  16           HN       ARG  16   0.785   3.058  -8.948
  152    HA   ARG  16           HA       ARG  16  -1.446   1.286  -9.554
  153   1HB   ARG  16          2HB       ARG  16   1.512   0.723  -9.178
  154   2HB   ARG  16          3HB       ARG  16   0.347  -0.462  -9.753
  155   1HG   ARG  16          2HG       ARG  16   0.914   2.216 -11.097
  156   2HG   ARG  16          3HG       ARG  16   1.562   0.670 -11.629
  157   1HD   ARG  16          2HD       ARG  16  -0.701  -0.189 -12.062
  158   2HD   ARG  16          3HD       ARG  16  -1.415   1.296 -11.433
  159    HE   ARG  16           HE       ARG  16   0.319   1.284 -13.870
  160   1HH1  ARG  16          2HH2      ARG  16  -0.194   3.915 -13.018
  161   2HH1  ARG  16          1HH2      ARG  16  -1.692   4.356 -13.784
  162   1HH2  ARG  16          2HH1      ARG  16  -2.569   0.976 -14.295
  163   2HH2  ARG  16          1HH1      ARG  16  -3.135   2.598 -14.479
  164    QB   ARG  16           QB       ARG  16   0.930   0.131  -9.465
  165    QG   ARG  16           QG       ARG  16   1.238   1.443 -11.363
  166    QD   ARG  16           QD       ARG  16  -1.058   0.553 -11.748
  167    QH1  ARG  16           QH2      ARG  16  -0.943   4.136 -13.401
  168    QH2  ARG  16           QH1      ARG  16  -2.852   1.787 -14.387
  169    H    ALA  17           HN       ALA  17   0.721   1.723  -6.821
  170    HA   ALA  17           HA       ALA  17  -0.268  -0.554  -5.334
  171   1HB   ALA  17          2HB       ALA  17   1.843   0.654  -4.772
  172   2HB   ALA  17          3HB       ALA  17   0.898   2.061  -4.307
  173   3HB   ALA  17          1HB       ALA  17   0.759   0.564  -3.389
  174    QB   ALA  17           QB       ALA  17   1.167   1.093  -4.156
  175    H    LYS  18           HN       LYS  18  -0.960   2.878  -5.437
  176    HA   LYS  18           HA       LYS  18  -3.067   3.032  -3.567
  177   1HB   LYS  18          2HB       LYS  18  -2.033   4.974  -4.843
  178   2HB   LYS  18          3HB       LYS  18  -2.944   4.470  -6.258
  179   1HG   LYS  18          2HG       LYS  18  -4.894   4.571  -4.285
  180   2HG   LYS  18          3HG       LYS  18  -3.846   5.910  -3.851
  181   1HD   LYS  18          2HD       LYS  18  -5.296   6.961  -5.334
  182   2HD   LYS  18          3HD       LYS  18  -3.985   6.506  -6.416
  183   1HE   LYS  18          2HE       LYS  18  -6.158   5.877  -7.397
  184   2HE   LYS  18          3HE       LYS  18  -5.222   4.432  -7.027
  185   1HZ   LYS  18          2HZ       LYS  18  -6.741   5.127  -4.745
  186   2HZ   LYS  18          3HZ       LYS  18  -7.781   5.107  -6.094
  187   3HZ   LYS  18          1HZ       LYS  18  -6.861   3.744  -5.721
  188    QB   LYS  18           QB       LYS  18  -2.489   4.722  -5.551
  189    QG   LYS  18           QG       LYS  18  -4.370   5.241  -4.068
  190    QD   LYS  18           QD       LYS  18  -4.641   6.733  -5.875
  191    QE   LYS  18           QE       LYS  18  -5.690   5.154  -7.212
  192    QZ   LYS  18           QZ       LYS  18  -7.127   4.659  -5.520
  193    H    ASP  19           HN       ASP  19  -3.236   2.333  -7.026
  194    HA   ASP  19           HA       ASP  19  -6.005   1.873  -7.223
  195   1HB   ASP  19          2HB       ASP  19  -4.409   2.107  -9.126
  196   2HB   ASP  19          3HB       ASP  19  -3.678   0.572  -8.721
  197    QB   ASP  19           QB       ASP  19  -4.043   1.339  -8.923
  198    H    LEU  20           HN       LEU  20  -3.550  -0.755  -7.045
  199    HA   LEU  20           HA       LEU  20  -5.390  -2.853  -6.608
  200   1HB   LEU  20          2HB       LEU  20  -2.939  -3.195  -6.990
  201   2HB   LEU  20          3HB       LEU  20  -2.622  -2.627  -5.356
  202    HG   LEU  20           HG       LEU  20  -4.157  -4.465  -4.513
  203   1HD1  LEU  20          2HD1      LEU  20  -3.879  -5.423  -7.385
  204   2HD1  LEU  20          3HD1      LEU  20  -4.550  -6.368  -6.061
  205   3HD1  LEU  20          1HD1      LEU  20  -5.369  -4.912  -6.606
  206   1HD2  LEU  20          2HD2      LEU  20  -1.679  -5.301  -6.063
  207   2HD2  LEU  20          3HD2      LEU  20  -1.706  -4.680  -4.417
  208   3HD2  LEU  20          1HD2      LEU  20  -2.443  -6.235  -4.781
  209    QB   LEU  20           QB       LEU  20  -2.780  -2.911  -6.173
  210    QD1  LEU  20           QD1      LEU  20  -4.599  -5.568  -6.684
  211    QD2  LEU  20           QD2      LEU  20  -1.943  -5.405  -5.087
  212    QQD  LEU  20           QQD      LEU  20  -3.271  -5.487  -5.886
  213    H    ALA  21           HN       ALA  21  -3.694  -0.877  -4.228
  214    HA   ALA  21           HA       ALA  21  -4.709  -2.068  -1.864
  215   1HB   ALA  21          3HB       ALA  21  -2.838  -0.418  -1.953
  216   2HB   ALA  21          1HB       ALA  21  -3.978   0.838  -2.398
  217   3HB   ALA  21          2HB       ALA  21  -4.071   0.086  -0.812
  218    QB   ALA  21           QB       ALA  21  -3.629   0.169  -1.721
  219    H    GLU  22           HN       GLU  22  -5.853   0.716  -3.695
  220    HA   GLU  22           HA       GLU  22  -8.131   1.340  -2.133
  221   1HB   GLU  22          2HB       GLU  22  -7.167   2.715  -4.053
  222   2HB   GLU  22          3HB       GLU  22  -7.888   1.557  -5.152
  223   1HG   GLU  22          2HG       GLU  22 -10.087   2.160  -4.601
  224   2HG   GLU  22          3HG       GLU  22  -9.620   2.842  -3.043
  225    QB   GLU  22           QB       GLU  22  -7.528   2.136  -4.603
  226    QG   GLU  22           QG       GLU  22  -9.853   2.501  -3.822
  227    H    LYS  23           HN       LYS  23  -7.814  -0.720  -4.994
  228    HA   LYS  23           HA       LYS  23 -10.486  -1.550  -5.151
  229   1HB   LYS  23          2HB       LYS  23  -8.373  -2.221  -6.623
  230   2HB   LYS  23          3HB       LYS  23  -8.317  -3.611  -5.550
  231   1HG   LYS  23          2HG       LYS  23 -10.481  -2.806  -7.498
  232   2HG   LYS  23          3HG       LYS  23  -9.712  -4.376  -7.290
  233   1HD   LYS  23          2HD       LYS  23 -10.811  -4.461  -4.978
  234   2HD   LYS  23          3HD       LYS  23 -11.770  -3.077  -5.473
  235   1HE   LYS  23          2HE       LYS  23 -12.649  -4.376  -7.371
  236   2HE   LYS  23          3HE       LYS  23 -11.688  -5.764  -6.856
  237   1HZ   LYS  23          2HZ       LYS  23 -13.168  -4.734  -4.656
  238   2HZ   LYS  23          3HZ       LYS  23 -14.211  -5.051  -5.956
  239   3HZ   LYS  23          1HZ       LYS  23 -13.193  -6.285  -5.361
  240    QB   LYS  23           QB       LYS  23  -8.345  -2.916  -6.086
  241    QG   LYS  23           QG       LYS  23 -10.097  -3.591  -7.394
  242    QD   LYS  23           QD       LYS  23 -11.290  -3.769  -5.225
  243    QE   LYS  23           QE       LYS  23 -12.169  -5.070  -7.113
  244    QZ   LYS  23           QZ       LYS  23 -13.524  -5.357  -5.324
  245    H    LEU  24           HN       LEU  24  -7.825  -3.126  -3.378
  246    HA   LEU  24           HA       LEU  24  -9.382  -5.067  -2.025
  247   1HB   LEU  24          2HB       LEU  24  -6.915  -3.585  -1.033
  248   2HB   LEU  24          3HB       LEU  24  -7.538  -5.081  -0.346
  249    HG   LEU  24           HG       LEU  24  -6.840  -4.844  -3.296
  250   1HD1  LEU  24          1HD1      LEU  24  -4.824  -4.352  -1.938
  251   2HD1  LEU  24          2HD1      LEU  24  -5.075  -5.844  -1.040
  252   3HD1  LEU  24          3HD1      LEU  24  -4.694  -5.902  -2.757
  253   1HD2  LEU  24          3HD2      LEU  24  -7.115  -7.214  -1.408
  254   2HD2  LEU  24          1HD2      LEU  24  -8.293  -6.743  -2.627
  255   3HD2  LEU  24          2HD2      LEU  24  -6.702  -7.312  -3.114
  256    QB   LEU  24           QB       LEU  24  -7.227  -4.333  -0.690
  257    QD1  LEU  24           QD1      LEU  24  -4.865  -5.366  -1.912
  258    QD2  LEU  24           QD2      LEU  24  -7.370  -7.090  -2.383
  259    QQD  LEU  24           QQD      LEU  24  -6.117  -6.228  -2.147
  260    H    SER  25           HN       SER  25  -8.755  -1.711  -1.286
  261    HA   SER  25           HA       SER  25 -10.016  -1.463   1.227
  262   1HB   SER  25          2HB       SER  25  -8.759   0.361  -0.187
  263   2HB   SER  25          3HB       SER  25 -10.340   0.665  -0.916
  264    HG   SER  25           HG       SER  25 -10.044   0.460   1.881
  265    QB   SER  25           QB       SER  25  -9.549   0.513  -0.551
  266    H    ASN  26           HN       ASN  26 -11.305  -1.462  -2.001
  267    HA   ASN  26           HA       ASN  26 -14.119  -1.404  -1.017
  268   1HB   ASN  26          2HB       ASN  26 -13.345   0.103  -2.919
  269   2HB   ASN  26          3HB       ASN  26 -12.995  -1.348  -3.843
  270   1HD2  ASN  26          2HD2      ASN  26 -16.993  -0.875  -3.078
  271   2HD2  ASN  26          1HD2      ASN  26 -15.914  -0.859  -1.770
  272    QB   ASN  26           QB       ASN  26 -13.170  -0.623  -3.381
  273    QD2  ASN  26           QD2      ASN  26 -16.453  -0.867  -2.424
  274    H    GLU  27           HN       GLU  27 -12.449  -3.570  -0.472
  275    HA   GLU  27           HA       GLU  27 -13.964  -5.722  -1.859
  276   1HB   GLU  27          2HB       GLU  27 -11.425  -5.160  -2.608
  277   2HB   GLU  27          3HB       GLU  27 -11.088  -6.294  -1.311
  278   1HG   GLU  27          2HG       GLU  27 -11.991  -8.080  -2.455
  279   2HG   GLU  27          3HG       GLU  27 -13.232  -7.103  -3.223
  280    QB   GLU  27           QB       GLU  27 -11.256  -5.727  -1.959
  281    QG   GLU  27           QG       GLU  27 -12.612  -7.591  -2.839
  282    NH1  ARG  28           NH2      ARG  28  -9.295  -8.542   5.715
  283    NH2  ARG  28           NH1      ARG  28  -8.460 -10.564   5.048
  284    H    ARG  28           HN       ARG  28 -11.593  -5.193   0.789
  285    HA   ARG  28           HA       ARG  28 -13.086  -7.294   2.313
  286   1HB   ARG  28          2HB       ARG  28 -10.284  -6.203   2.704
  287   2HB   ARG  28          3HB       ARG  28 -11.069  -7.308   3.820
  288   1HG   ARG  28          2HG       ARG  28 -11.479  -8.808   1.731
  289   2HG   ARG  28          3HG       ARG  28 -10.269  -7.807   0.948
  290   1HD   ARG  28          2HD       ARG  28  -9.219  -9.810   1.930
  291   2HD   ARG  28          3HD       ARG  28  -8.654  -8.352   2.754
  292    HE   ARG  28           HE       ARG  28 -10.935  -9.888   3.925
  293   1HH1  ARG  28          2HH2      ARG  28  -9.921  -7.783   5.527
  294   2HH1  ARG  28          1HH2      ARG  28  -8.712  -8.498   6.525
  295   1HH2  ARG  28          2HH1      ARG  28  -8.457 -11.294   4.346
  296   2HH2  ARG  28          1HH1      ARG  28  -7.848 -10.636   5.836
  297    QB   ARG  28           QB       ARG  28 -10.676  -6.755   3.262
  298    QG   ARG  28           QG       ARG  28 -10.874  -8.307   1.339
  299    QD   ARG  28           QD       ARG  28  -8.936  -9.081   2.342
  300    QH1  ARG  28           QH2      ARG  28  -9.316  -8.141   6.026
  301    QH2  ARG  28           QH1      ARG  28  -8.153 -10.965   5.091
  302    H    ASP  29           HN       ASP  29 -12.665  -3.983   2.127
  303    HA   ASP  29           HA       ASP  29 -13.576  -2.240   3.347
  304   1HB   ASP  29          2HB       ASP  29 -14.761  -4.429   5.085
  305   2HB   ASP  29          3HB       ASP  29 -15.186  -2.728   5.150
  306    QB   ASP  29           QB       ASP  29 -14.974  -3.578   5.117
  307    H    ASP  30           HN       ASP  30 -12.053  -4.756   5.383
  308    HA   ASP  30           HA       ASP  30 -11.311  -2.754   7.406
  309   1HB   ASP  30          2HB       ASP  30 -10.263  -4.579   8.560
  310   2HB   ASP  30          3HB       ASP  30 -11.647  -5.328   7.767
  311    QB   ASP  30           QB       ASP  30 -10.955  -4.954   8.163
  312    H    PHE  31           HN       PHE  31 -10.429  -3.222   4.380
  313    HA   PHE  31           HA       PHE  31  -7.510  -2.886   4.672
  314   1HB   PHE  31          2HB       PHE  31  -8.538  -4.454   2.938
  315   2HB   PHE  31          3HB       PHE  31  -9.170  -3.036   2.125
  316    HD1  PHE  31          1HD       PHE  31  -7.341  -1.124   1.650
  317    HD2  PHE  31          2HD       PHE  31  -6.451  -5.244   2.218
  318    HE1  PHE  31          1HE       PHE  31  -5.179  -0.826   0.562
  319    HE2  PHE  31          2HE       PHE  31  -4.269  -4.910   1.166
  320    HZ   PHE  31           HZ       PHE  31  -3.615  -2.703   0.352
  321    QB   PHE  31           QB       PHE  31  -8.854  -3.745   2.532
  322    QR   PHE  31           QR       PHE  31  -5.810  -3.026   1.399
  323    H    GLN  32           HN       GLN  32  -7.152  -0.829   5.306
  324    HA   GLN  32           HA       GLN  32  -8.387   1.353   3.646
  325   1HB   GLN  32          2HB       GLN  32  -7.357   1.607   6.480
  326   2HB   GLN  32          3HB       GLN  32  -8.248   2.806   5.548
  327   1HG   GLN  32          2HG       GLN  32 -10.280   1.611   5.721
  328   2HG   GLN  32          3HG       GLN  32  -9.472   0.079   6.021
  329   1HE2  GLN  32          2HE2      GLN  32 -10.849   1.767   9.187
  330   2HE2  GLN  32          1HE2      GLN  32 -11.518   1.745   7.628
  331    QB   GLN  32           QB       GLN  32  -7.803   2.207   6.014
  332    QG   GLN  32           QG       GLN  32  -9.876   0.845   5.871
  333    QE2  GLN  32           QE2      GLN  32 -11.183   1.756   8.407
  334    OH   TYR  33           OH       TYR  33  -6.425   5.625  -2.931
  335    H    TYR  33           HN       TYR  33  -6.959   2.294   2.404
  336    HA   TYR  33           HA       TYR  33  -4.078   2.069   3.165
  337   1HB   TYR  33          2HB       TYR  33  -3.463   1.894   0.930
  338   2HB   TYR  33          3HB       TYR  33  -5.006   1.060   0.921
  339    HD1  TYR  33           HD1      TYR  33  -6.995   2.085  -0.151
  340    HD2  TYR  33           HD2      TYR  33  -3.247   4.103  -0.101
  341    HE1  TYR  33           HE1      TYR  33  -7.806   3.650  -1.864
  342    HE2  TYR  33           HE2      TYR  33  -4.060   5.665  -1.801
  343    HH   TYR  33           HH       TYR  33  -7.395   5.553  -2.943
  344    QB   TYR  33           QB       TYR  33  -4.234   1.477   0.925
  345    QR   TYR  33           QR       TYR  33  -5.527   3.876  -0.979
  346    H    GLN  34           HN       GLN  34  -2.718   3.777   2.604
  347    HA   GLN  34           HA       GLN  34  -3.978   6.430   2.240
  348   1HB   GLN  34          2HB       GLN  34  -2.411   7.261   4.132
  349   2HB   GLN  34          3HB       GLN  34  -3.874   6.434   4.610
  350   1HG   GLN  34          2HG       GLN  34  -1.230   4.998   4.282
  351   2HG   GLN  34          3HG       GLN  34  -1.702   5.735   5.799
  352   1HE2  GLN  34          2HE2      GLN  34  -4.597   3.151   5.683
  353   2HE2  GLN  34          1HE2      GLN  34  -4.659   4.814   5.334
  354    QB   GLN  34           QB       GLN  34  -3.142   6.847   4.371
  355    QG   GLN  34           QG       GLN  34  -1.466   5.367   5.040
  356    QE2  GLN  34           QE2      GLN  34  -4.628   3.982   5.509
  357    OH   TYR  35           OH       TYR  35   2.798   9.907  -4.735
  358    H    TYR  35           HN       TYR  35  -2.543   7.989   1.397
  359    HA   TYR  35           HA       TYR  35  -0.049   6.814   0.221
  360   1HB   TYR  35          2HB       TYR  35  -1.732   7.385  -1.490
  361   2HB   TYR  35          3HB       TYR  35  -1.891   9.004  -0.831
  362    HD1  TYR  35           HD2      TYR  35   1.194   6.985  -1.647
  363    HD2  TYR  35           HD1      TYR  35  -1.066  10.496  -2.437
  364    HE1  TYR  35           HE2      TYR  35   2.886   7.707  -3.272
  365    HE2  TYR  35           HE1      TYR  35   0.643  11.234  -4.030
  366    HH   TYR  35           HH       TYR  35   2.891  10.875  -4.666
  367    QB   TYR  35           QB       TYR  35  -1.811   8.194  -1.161
  368    QR   TYR  35           QR       TYR  35   0.914   9.105  -2.846
  369    H    VAL  36           HN       VAL  36   1.814   7.868   0.598
  370    HA   VAL  36           HA       VAL  36   1.713  10.588   1.797
  371    HB   VAL  36           HB       VAL  36   3.329   8.263   2.953
  372   1HG1  VAL  36          2HG1      VAL  36   2.990  11.144   3.886
  373   2HG1  VAL  36          3HG1      VAL  36   3.887   9.899   4.745
  374   3HG1  VAL  36          1HG1      VAL  36   4.455  10.468   3.180
  375   1HG2  VAL  36          1HG2      VAL  36   0.906   8.102   3.499
  376   2HG2  VAL  36          2HG2      VAL  36   1.847   8.502   4.928
  377   3HG2  VAL  36          3HG2      VAL  36   0.932   9.757   4.097
  378    QG1  VAL  36           QG1      VAL  36   3.777  10.504   3.937
  379    QG2  VAL  36           QG2      VAL  36   1.228   8.787   4.175
  380    QQG  VAL  36           QQG      VAL  36   2.503   9.645   4.056
  381    H    ASP  37           HN       ASP  37   3.688  11.731   1.392
  382    HA   ASP  37           HA       ASP  37   5.336  10.464  -0.771
  383   1HB   ASP  37          2HB       ASP  37   3.829  12.399  -1.471
  384   2HB   ASP  37          3HB       ASP  37   4.790  13.431  -0.418
  385    QB   ASP  37           QB       ASP  37   4.310  12.915  -0.944
  386    H    ILE  38           HN       ILE  38   7.522  10.688  -0.615
  387    HA   ILE  38           HA       ILE  38   8.753  10.822   1.892
  388    HB   ILE  38           HB       ILE  38  10.876  11.256   0.609
  389   1HG1  ILE  38          2HG1      ILE  38   8.938  11.390  -1.755
  390   2HG1  ILE  38          3HG1      ILE  38   9.851  12.752  -1.120
  391   1HG2  ILE  38          1HG2      ILE  38   9.921   8.985   0.905
  392   2HG2  ILE  38          2HG2      ILE  38   8.970   9.184  -0.559
  393   3HG2  ILE  38          3HG2      ILE  38  10.725   9.121  -0.647
  394   1HD1  ILE  38          1HD1      ILE  38  11.973  11.560  -1.645
  395   2HD1  ILE  38          2HD1      ILE  38  11.040  10.235  -2.336
  396   3HD1  ILE  38          3HD1      ILE  38  10.990  11.825  -3.083
  397    QG1  ILE  38           QG1      ILE  38   9.395  12.071  -1.437
  398    QG2  ILE  38           QG2      ILE  38   9.872   9.096  -0.100
  399    QD1  ILE  38           QD1      ILE  38  11.334  11.206  -2.355
  400    NH1  ARG  39           NH1      ARG  39   8.784  18.808   3.576
  401    NH2  ARG  39           NH2      ARG  39  10.062  20.594   2.973
  402    H    ARG  39           HN       ARG  39   8.043  13.459  -0.330
  403    HA   ARG  39           HA       ARG  39   9.549  15.387   1.262
  404   1HB   ARG  39          2HB       ARG  39   9.343  15.937  -1.065
  405   2HB   ARG  39          3HB       ARG  39   7.598  15.724  -1.033
  406   1HG   ARG  39          2HG       ARG  39   8.243  18.132  -1.020
  407   2HG   ARG  39          3HG       ARG  39   7.344  17.697   0.420
  408   1HD   ARG  39          2HD       ARG  39   9.683  17.353   1.541
  409   2HD   ARG  39          3HD       ARG  39  10.323  18.226   0.156
  410    HE   ARG  39           HE       ARG  39   8.562  20.041   0.881
  411   1HH1  ARG  39          2HH1      ARG  39   8.243  18.012   3.294
  412   2HH1  ARG  39          1HH1      ARG  39   8.925  18.986   4.548
  413   1HH2  ARG  39          2HH2      ARG  39  10.436  21.162   2.243
  414   2HH2  ARG  39          1HH2      ARG  39  10.288  20.803   3.924
  415    QB   ARG  39           QB       ARG  39   8.470  15.830  -1.049
  416    QG   ARG  39           QG       ARG  39   7.794  17.914  -0.300
  417    QD   ARG  39           QD       ARG  39  10.003  17.789   0.848
  418    QH1  ARG  39           QH1      ARG  39   8.584  18.499   3.921
  419    QH2  ARG  39           QH2      ARG  39  10.362  20.983   3.084
  420    H    ALA  40           HN       ALA  40   6.079  14.658   0.872
  421    HA   ALA  40           HA       ALA  40   4.895  16.668   2.370
  422   1HB   ALA  40          3HB       ALA  40   4.340  13.693   2.633
  423   2HB   ALA  40          1HB       ALA  40   3.246  14.973   3.144
  424   3HB   ALA  40          2HB       ALA  40   3.628  14.772   1.436
  425    QB   ALA  40           QB       ALA  40   3.738  14.479   2.404
  426    H    GLU  41           HN       GLU  41   6.295  13.719   3.721
  427    HA   GLU  41           HA       GLU  41   6.301  14.885   6.463
  428   1HB   GLU  41          2HB       GLU  41   6.765  12.125   5.322
  429   2HB   GLU  41          3HB       GLU  41   7.291  12.492   6.952
  430   1HG   GLU  41          2HG       GLU  41   4.902  13.227   7.457
  431   2HG   GLU  41          3HG       GLU  41   4.451  12.581   5.880
  432    QB   GLU  41           QB       GLU  41   7.028  12.308   6.137
  433    QG   GLU  41           QG       GLU  41   4.676  12.904   6.669
  434    H    GLY  42           HN       GLY  42   8.179  15.711   4.262
  435   1HA   GLY  42          1HA       GLY  42  10.525  15.931   3.852
  436   2HA   GLY  42          2HA       GLY  42  10.427  16.554   5.494
  437    QA   GLY  42           QA       GLY  42  10.476  16.242   4.673
  438    H    ILE  43           HN       ILE  43  10.387  13.357   3.965
  439    HA   ILE  43           HA       ILE  43  12.155  12.338   6.136
  440    HB   ILE  43           HB       ILE  43  10.964  10.567   4.000
  441   1HG1  ILE  43          2HG1      ILE  43   9.379  11.482   6.435
  442   2HG1  ILE  43          3HG1      ILE  43   9.088  12.072   4.803
  443   1HG2  ILE  43          1HG2      ILE  43  12.486   9.655   5.746
  444   2HG2  ILE  43          2HG2      ILE  43  11.409  10.256   7.001
  445   3HG2  ILE  43          3HG2      ILE  43  10.877   8.983   5.912
  446   1HD1  ILE  43          2HD1      ILE  43   8.689   9.732   4.040
  447   2HD1  ILE  43          3HD1      ILE  43   8.911   9.168   5.693
  448   3HD1  ILE  43          1HD1      ILE  43   7.560  10.213   5.295
  449    QG1  ILE  43           QG1      ILE  43   9.234  11.777   5.619
  450    QG2  ILE  43           QG2      ILE  43  11.591   9.631   6.220
  451    QD1  ILE  43           QD1      ILE  43   8.387   9.704   5.009
  452    H    THR  44           HN       THR  44  13.939  10.906   5.469
  453    HA   THR  44           HA       THR  44  14.962  11.565   2.745
  454    HB   THR  44           HB       THR  44  17.260  11.508   3.738
  455    HG1  THR  44          1HG       THR  44  17.373  10.416   5.500
  456   1HG2  THR  44          3HG2      THR  44  15.920  13.679   3.972
  457   2HG2  THR  44          1HG2      THR  44  15.378  13.105   5.545
  458   3HG2  THR  44          2HG2      THR  44  17.085  13.435   5.269
  459    QG2  THR  44           QG2      THR  44  16.128  13.407   4.928
  460    H    LYS  45           HN       LYS  45  16.210   9.944   1.726
  461    HA   LYS  45           HA       LYS  45  15.117   7.413   1.508
  462   1HB   LYS  45          2HB       LYS  45  16.697   8.342  -0.110
  463   2HB   LYS  45          3HB       LYS  45  18.004   8.268   1.068
  464   1HG   LYS  45          2HG       LYS  45  17.846   5.807   1.123
  465   2HG   LYS  45          3HG       LYS  45  16.490   5.851  -0.003
  466   1HD   LYS  45          2HD       LYS  45  17.958   6.963  -1.686
  467   2HD   LYS  45          3HD       LYS  45  19.311   6.855  -0.568
  468   1HE   LYS  45          2HE       LYS  45  17.719   4.435  -1.471
  469   2HE   LYS  45          3HE       LYS  45  19.152   4.994  -2.321
  470   1HZ   LYS  45          1HZ       LYS  45  19.838   4.823   0.375
  471   2HZ   LYS  45          2HZ       LYS  45  18.969   3.398  -0.006
  472   3HZ   LYS  45          3HZ       LYS  45  20.338   3.818  -0.923
  473    QB   LYS  45           QB       LYS  45  17.351   8.305   0.479
  474    QG   LYS  45           QG       LYS  45  17.168   5.829   0.560
  475    QD   LYS  45           QD       LYS  45  18.634   6.909  -1.127
  476    QE   LYS  45           QE       LYS  45  18.435   4.715  -1.896
  477    QZ   LYS  45           QZ       LYS  45  19.715   4.013  -0.185
  478    H    GLU  46           HN       GLU  46  17.748   8.285   3.704
  479    HA   GLU  46           HA       GLU  46  18.385   5.561   4.425
  480   1HB   GLU  46          2HB       GLU  46  18.851   7.987   6.186
  481   2HB   GLU  46          3HB       GLU  46  19.766   6.487   6.152
  482   1HG   GLU  46          2HG       GLU  46  21.120   8.020   4.930
  483   2HG   GLU  46          3HG       GLU  46  20.321   7.070   3.686
  484    QB   GLU  46           QB       GLU  46  19.309   7.237   6.169
  485    QG   GLU  46           QG       GLU  46  20.720   7.545   4.308
  486    H    ASP  47           HN       ASP  47  16.569   8.081   6.213
  487    HA   ASP  47           HA       ASP  47  15.716   6.532   8.402
  488   1HB   ASP  47          2HB       ASP  47  15.157   8.842   8.437
  489   2HB   ASP  47          3HB       ASP  47  14.454   8.788   6.832
  490    QB   ASP  47           QB       ASP  47  14.805   8.815   7.635
  491    H    LEU  48           HN       LEU  48  14.181   6.965   5.266
  492    HA   LEU  48           HA       LEU  48  12.059   5.120   5.585
  493   1HB   LEU  48          2HB       LEU  48  13.441   6.412   3.329
  494   2HB   LEU  48          3HB       LEU  48  12.723   4.865   2.906
  495    HG   LEU  48           HG       LEU  48  11.230   7.074   4.381
  496   1HD1  LEU  48          3HD1      LEU  48  11.240   6.323   1.439
  497   2HD1  LEU  48          1HD1      LEU  48  10.143   7.475   2.191
  498   3HD1  LEU  48          2HD1      LEU  48  11.868   7.822   2.125
  499   1HD2  LEU  48          3HD2      LEU  48  10.276   4.558   2.939
  500   2HD2  LEU  48          1HD2      LEU  48  10.319   4.761   4.686
  501   3HD2  LEU  48          2HD2      LEU  48   9.236   5.747   3.715
  502    QB   LEU  48           QB       LEU  48  13.082   5.639   3.118
  503    QD1  LEU  48           QD1      LEU  48  11.084   7.207   1.918
  504    QD2  LEU  48           QD2      LEU  48   9.943   5.022   3.780
  505    QQD  LEU  48           QQD      LEU  48  10.513   6.114   2.849
  506    H    GLN  49           HN       GLN  49  15.309   4.605   4.275
  507    HA   GLN  49           HA       GLN  49  15.288   1.886   3.706
  508   1HB   GLN  49          2HB       GLN  49  17.265   3.676   3.796
  509   2HB   GLN  49          3HB       GLN  49  17.560   2.979   5.376
  510   1HG   GLN  49          2HG       GLN  49  18.879   1.556   4.109
  511   2HG   GLN  49          3HG       GLN  49  17.358   0.692   3.962
  512   1HE2  GLN  49          2HE2      GLN  49  17.140   1.227   0.519
  513   2HE2  GLN  49          1HE2      GLN  49  16.622   0.375   1.914
  514    QB   GLN  49           QB       GLN  49  17.413   3.327   4.586
  515    QG   GLN  49           QG       GLN  49  18.119   1.124   4.035
  516    QE2  GLN  49           QE2      GLN  49  16.881   0.801   1.216
  517    H    GLN  50           HN       GLN  50  15.701   3.453   6.821
  518    HA   GLN  50           HA       GLN  50  15.853   1.088   8.445
  519   1HB   GLN  50          2HB       GLN  50  16.411   3.475   9.197
  520   2HB   GLN  50          3HB       GLN  50  14.679   3.752   9.287
  521   1HG   GLN  50          2HG       GLN  50  14.808   1.432  10.689
  522   2HG   GLN  50          3HG       GLN  50  16.408   2.068  11.031
  523   1HE2  GLN  50          2HE2      GLN  50  14.204   5.109  12.200
  524   2HE2  GLN  50          1HE2      GLN  50  14.739   4.868  10.608
  525    QB   GLN  50           QB       GLN  50  15.545   3.614   9.242
  526    QG   GLN  50           QG       GLN  50  15.608   1.750  10.860
  527    QE2  GLN  50           QE2      GLN  50  14.471   4.988  11.404
  528    H    LYS  51           HN       LYS  51  13.144   3.249   7.696
  529    HA   LYS  51           HA       LYS  51  11.086   1.959   9.112
  530   1HB   LYS  51          2HB       LYS  51  11.248   3.981   7.187
  531   2HB   LYS  51          3HB       LYS  51  10.270   2.768   6.394
  532   1HG   LYS  51          2HG       LYS  51   8.599   3.910   7.531
  533   2HG   LYS  51          3HG       LYS  51   9.011   2.710   8.745
  534   1HD   LYS  51          2HD       LYS  51   8.951   4.871   9.848
  535   2HD   LYS  51          3HD       LYS  51  10.638   4.374   9.746
  536   1HE   LYS  51          2HE       LYS  51  10.992   5.803   7.801
  537   2HE   LYS  51          3HE       LYS  51   9.289   6.195   7.719
  538   1HZ   LYS  51          1HZ       LYS  51  10.141   6.862  10.285
  539   2HZ   LYS  51          2HZ       LYS  51  11.334   7.440   9.215
  540   3HZ   LYS  51          3HZ       LYS  51   9.716   7.916   9.016
  541    QB   LYS  51           QB       LYS  51  10.759   3.375   6.791
  542    QG   LYS  51           QG       LYS  51   8.805   3.310   8.138
  543    QD   LYS  51           QD       LYS  51   9.794   4.622   9.797
  544    QE   LYS  51           QE       LYS  51  10.141   5.999   7.760
  545    QZ   LYS  51           QZ       LYS  51  10.397   7.406   9.505
  546    H    ALA  52           HN       ALA  52  12.173   1.334   5.802
  547    HA   ALA  52           HA       ALA  52  10.503  -1.039   5.529
  548   1HB   ALA  52          2HB       ALA  52  12.862  -0.085   3.847
  549   2HB   ALA  52          3HB       ALA  52  11.745  -1.372   3.397
  550   3HB   ALA  52          1HB       ALA  52  11.167   0.285   3.533
  551    QB   ALA  52           QB       ALA  52  11.925  -0.391   3.592
  552    H    GLY  53           HN       GLY  53  13.560  -0.271   6.829
  553   1HA   GLY  53          1HA       GLY  53  15.318  -1.600   7.681
  554   2HA   GLY  53          2HA       GLY  53  14.028  -2.728   8.109
  555    QA   GLY  53           QA       GLY  53  14.673  -2.164   7.895
  556    H    LYS  54           HN       LYS  54  14.757  -1.657   4.910
  557    HA   LYS  54           HA       LYS  54  16.052  -4.220   4.182
  558   1HB   LYS  54          2HB       LYS  54  13.492  -3.171   2.904
  559   2HB   LYS  54          3HB       LYS  54  14.467  -4.448   2.197
  560   1HG   LYS  54          2HG       LYS  54  13.323  -4.617   5.005
  561   2HG   LYS  54          3HG       LYS  54  12.472  -5.212   3.598
  562   1HD   LYS  54          2HD       LYS  54  14.193  -6.831   3.131
  563   2HD   LYS  54          3HD       LYS  54  15.276  -6.125   4.326
  564   1HE   LYS  54          2HE       LYS  54  12.557  -7.311   4.996
  565   2HE   LYS  54          3HE       LYS  54  14.066  -8.208   5.121
  566   1HZ   LYS  54          3HZ       LYS  54  14.456  -5.789   6.445
  567   2HZ   LYS  54          1HZ       LYS  54  12.949  -6.356   6.954
  568   3HZ   LYS  54          2HZ       LYS  54  14.332  -7.339   7.141
  569    QB   LYS  54           QB       LYS  54  13.980  -3.810   2.550
  570    QG   LYS  54           QG       LYS  54  12.897  -4.915   4.301
  571    QD   LYS  54           QD       LYS  54  14.735  -6.478   3.728
  572    QE   LYS  54           QE       LYS  54  13.312  -7.759   5.059
  573    QZ   LYS  54           QZ       LYS  54  13.912  -6.495   6.847
  574    HA   PRO  55           HA       PRO  55  18.190  -1.457   1.453
  575   1HB   PRO  55          2HB       PRO  55  18.971  -3.201  -0.538
  576   2HB   PRO  55          3HB       PRO  55  19.741  -3.124   1.050
  577   1HG   PRO  55          2HG       PRO  55  17.722  -5.101   0.010
  578   2HG   PRO  55          3HG       PRO  55  19.100  -5.382   1.086
  579   1HD   PRO  55          2HD       PRO  55  16.474  -5.155   1.971
  580   2HD   PRO  55          3HD       PRO  55  17.885  -4.788   2.985
  581    QB   PRO  55           QB       PRO  55  19.356  -3.162   0.256
  582    QG   PRO  55           QG       PRO  55  18.411  -5.242   0.548
  583    QD   PRO  55           QD       PRO  55  17.179  -4.971   2.478
  584    H    VAL  56           HN       VAL  56  15.812  -0.689   1.094
  585    HA   VAL  56           HA       VAL  56  14.917  -1.209  -1.675
  586    HB   VAL  56           HB       VAL  56  13.199  -1.457  -0.036
  587   1HG1  VAL  56          2HG1      VAL  56  14.207  -0.059   1.735
  588   2HG1  VAL  56          3HG1      VAL  56  13.847   1.385   0.799
  589   3HG1  VAL  56          1HG1      VAL  56  12.535   0.398   1.433
  590   1HG2  VAL  56          1HG2      VAL  56  12.922   1.157  -1.559
  591   2HG2  VAL  56          2HG2      VAL  56  12.536  -0.447  -2.175
  592   3HG2  VAL  56          3HG2      VAL  56  11.585   0.249  -0.866
  593    QG1  VAL  56           QG1      VAL  56  13.530   0.575   1.323
  594    QG2  VAL  56           QG2      VAL  56  12.348   0.319  -1.533
  595    QQG  VAL  56           QQG      VAL  56  12.939   0.447  -0.105
  596    H    GLU  57           HN       GLU  57  15.371   0.174  -3.283
  597    HA   GLU  57           HA       GLU  57  16.141   2.982  -2.572
  598   1HB   GLU  57          2HB       GLU  57  17.065   1.501  -5.046
  599   2HB   GLU  57          3HB       GLU  57  17.728   2.969  -4.359
  600   1HG   GLU  57          2HG       GLU  57  17.807   0.290  -2.927
  601   2HG   GLU  57          3HG       GLU  57  19.111   0.879  -3.944
  602    QB   GLU  57           QB       GLU  57  17.396   2.235  -4.702
  603    QG   GLU  57           QG       GLU  57  18.459   0.584  -3.435
  604    H    THR  58           HN       THR  58  13.710   1.266  -4.120
  605    HA   THR  58           HA       THR  58  13.208   3.521  -6.025
  606    HB   THR  58           HB       THR  58  11.890   1.813  -7.362
  607    HG1  THR  58          1HG       THR  58  12.848  -0.353  -6.224
  608   1HG2  THR  58          1HG2      THR  58  14.695   0.826  -6.616
  609   2HG2  THR  58          2HG2      THR  58  13.817   0.445  -8.100
  610   3HG2  THR  58          3HG2      THR  58  14.385   2.084  -7.807
  611    QG2  THR  58           QG2      THR  58  14.299   1.118  -7.508
  612    H    VAL  59           HN       VAL  59  10.632   3.100  -6.664
  613    HA   VAL  59           HA       VAL  59   9.127   3.281  -4.102
  614    HB   VAL  59           HB       VAL  59   7.696   5.033  -5.441
  615   1HG1  VAL  59          1HG1      VAL  59   9.148   5.589  -3.488
  616   2HG1  VAL  59          2HG1      VAL  59  10.526   5.743  -4.571
  617   3HG1  VAL  59          3HG1      VAL  59   9.175   6.865  -4.700
  618   1HG2  VAL  59          2HG2      VAL  59   8.792   4.623  -7.635
  619   2HG2  VAL  59          3HG2      VAL  59   8.980   6.296  -7.128
  620   3HG2  VAL  59          1HG2      VAL  59  10.323   5.175  -6.964
  621    QG1  VAL  59           QG1      VAL  59   9.616   6.066  -4.253
  622    QG2  VAL  59           QG2      VAL  59   9.365   5.364  -7.242
  623    QQG  VAL  59           QQG      VAL  59   9.491   5.715  -5.748
  624    HA   PRO  60           HA       PRO  60   7.022   3.973  -3.867
  625   1HB   PRO  60          2HB       PRO  60   4.670   2.916  -3.009
  626   2HB   PRO  60          3HB       PRO  60   4.750   4.009  -4.400
  627   1HG   PRO  60          2HG       PRO  60   4.448   1.009  -4.345
  628   2HG   PRO  60          3HG       PRO  60   3.750   2.169  -5.482
  629   1HD   PRO  60          2HD       PRO  60   6.039   0.598  -5.960
  630   2HD   PRO  60          3HD       PRO  60   5.611   2.061  -6.870
  631    QB   PRO  60           QB       PRO  60   4.710   3.462  -3.704
  632    QG   PRO  60           QG       PRO  60   4.099   1.589  -4.914
  633    QD   PRO  60           QD       PRO  60   5.825   1.330  -6.415
  634    H    GLN  61           HN       GLN  61   7.106   3.628  -1.593
  635    HA   GLN  61           HA       GLN  61   8.025   0.904  -0.856
  636   1HB   GLN  61          2HB       GLN  61   8.170   3.455   0.800
  637   2HB   GLN  61          3HB       GLN  61   9.057   1.955   1.071
  638   1HG   GLN  61          2HG       GLN  61   9.838   2.420  -1.462
  639   2HG   GLN  61          3HG       GLN  61   9.488   4.083  -1.007
  640   1HE2  GLN  61          2HE2      GLN  61  13.052   3.297  -0.252
  641   2HE2  GLN  61          1HE2      GLN  61  12.062   3.191  -1.642
  642    QB   GLN  61           QB       GLN  61   8.614   2.705   0.936
  643    QG   GLN  61           QG       GLN  61   9.663   3.252  -1.234
  644    QE2  GLN  61           QE2      GLN  61  12.557   3.244  -0.947
  645    H    ILE  62           HN       ILE  62   6.277  -0.213  -0.603
  646    HA   ILE  62           HA       ILE  62   3.923   0.916   0.753
  647    HB   ILE  62           HB       ILE  62   4.356  -1.856  -0.383
  648   1HG1  ILE  62          2HG1      ILE  62   3.373   0.747  -1.578
  649   2HG1  ILE  62          3HG1      ILE  62   4.657  -0.307  -2.169
  650   1HG2  ILE  62          3HG2      ILE  62   2.480  -1.660   1.252
  651   2HG2  ILE  62          1HG2      ILE  62   1.807  -0.328   0.317
  652   3HG2  ILE  62          2HG2      ILE  62   1.877  -1.952  -0.371
  653   1HD1  ILE  62          1HD1      ILE  62   2.950  -2.089  -2.550
  654   2HD1  ILE  62          2HD1      ILE  62   1.693  -0.933  -2.114
  655   3HD1  ILE  62          3HD1      ILE  62   2.694  -0.658  -3.533
  656    QG1  ILE  62           QG1      ILE  62   4.015   0.220  -1.874
  657    QG2  ILE  62           QG2      ILE  62   2.055  -1.313   0.399
  658    QD1  ILE  62           QD1      ILE  62   2.446  -1.227  -2.733
  659    H    PHE  63           HN       PHE  63   3.305   0.509   2.630
  660    HA   PHE  63           HA       PHE  63   4.705  -1.533   4.328
  661   1HB   PHE  63          2HB       PHE  63   3.823   1.262   5.139
  662   2HB   PHE  63          3HB       PHE  63   4.443   0.051   6.250
  663    HD1  PHE  63          2HD       PHE  63   5.354   1.992   3.193
  664    HD2  PHE  63          1HD       PHE  63   6.784  -0.195   6.561
  665    HE1  PHE  63          2HE       PHE  63   7.622   2.815   2.771
  666    HE2  PHE  63          1HE       PHE  63   9.055   0.615   6.112
  667    HZ   PHE  63           HZ       PHE  63   9.486   2.117   4.214
  668    QB   PHE  63           QB       PHE  63   4.133   0.657   5.694
  669    QR   PHE  63           QR       PHE  63   7.204   1.307   4.659
  670    H    VAL  64           HN       VAL  64   3.430  -2.424   6.010
  671    HA   VAL  64           HA       VAL  64   0.470  -2.032   5.684
  672    HB   VAL  64           HB       VAL  64   1.997  -4.612   6.190
  673   1HG1  VAL  64          3HG1      VAL  64  -0.999  -4.085   6.087
  674   2HG1  VAL  64          1HG1      VAL  64  -0.257  -5.674   6.213
  675   3HG1  VAL  64          2HG1      VAL  64  -0.089  -4.517   7.528
  676   1HG2  VAL  64          1HG2      VAL  64   1.950  -3.845   3.825
  677   2HG2  VAL  64          2HG2      VAL  64   0.959  -5.284   4.027
  678   3HG2  VAL  64          3HG2      VAL  64   0.198  -3.703   3.904
  679    QG1  VAL  64           QG1      VAL  64  -0.448  -4.758   6.609
  680    QG2  VAL  64           QG2      VAL  64   1.036  -4.277   3.919
  681    QQG  VAL  64           QQG      VAL  64   0.294  -4.518   5.264
  682    H    ASP  65           HN       ASP  65   0.232  -0.686   7.363
  683    HA   ASP  65           HA       ASP  65  -0.055   0.017   9.543
  684   1HB   ASP  65          2HB       ASP  65   0.296  -2.948  10.065
  685   2HB   ASP  65          3HB       ASP  65  -0.128  -1.790  11.313
  686    QB   ASP  65           QB       ASP  65   0.084  -2.369  10.689
  687    H    GLN  66           HN       GLN  66   2.255  -2.503  10.052
  688    HA   GLN  66           HA       GLN  66   4.298  -0.487  10.822
  689   1HB   GLN  66          2HB       GLN  66   3.410  -1.432  12.880
  690   2HB   GLN  66          3HB       GLN  66   3.593  -3.064  12.262
  691   1HG   GLN  66          2HG       GLN  66   5.413  -2.482  13.850
  692   2HG   GLN  66          3HG       GLN  66   6.057  -2.806  12.249
  693   1HE2  GLN  66          2HE2      GLN  66   7.452   0.422  11.973
  694   2HE2  GLN  66          1HE2      GLN  66   7.291  -1.124  11.292
  695    QB   GLN  66           QB       GLN  66   3.502  -2.248  12.571
  696    QG   GLN  66           QG       GLN  66   5.735  -2.644  13.050
  697    QE2  GLN  66           QE2      GLN  66   7.371  -0.351  11.632
  698    H    GLN  67           HN       GLN  67   3.617  -3.352   9.013
  699    HA   GLN  67           HA       GLN  67   6.472  -4.108   8.837
  700   1HB   GLN  67          2HB       GLN  67   4.041  -5.229   7.405
  701   2HB   GLN  67          3HB       GLN  67   5.624  -5.945   7.477
  702   1HG   GLN  67          2HG       GLN  67   5.410  -6.530   9.764
  703   2HG   GLN  67          3HG       GLN  67   4.038  -5.442   9.997
  704   1HE2  GLN  67          2HE2      GLN  67   1.753  -7.610   8.253
  705   2HE2  GLN  67          1HE2      GLN  67   2.077  -5.973   8.588
  706    QB   GLN  67           QB       GLN  67   4.832  -5.587   7.441
  707    QG   GLN  67           QG       GLN  67   4.724  -5.986   9.881
  708    QE2  GLN  67           QE2      GLN  67   1.915  -6.792   8.420
  709    H    HIS  68           HN       HIS  68   7.227  -4.629   6.565
  710    HA   HIS  68           HA       HIS  68   6.368  -2.528   4.616
  711   1HB   HIS  68          2HB       HIS  68   8.650  -2.129   5.512
  712   2HB   HIS  68          3HB       HIS  68   9.124  -3.728   4.996
  713    HD1  HIS  68           HD1      HIS  68   9.785  -3.978   2.620
  714    HD2  HIS  68           HD2      HIS  68   8.022  -0.316   3.208
  715    HE1  HIS  68           HE1      HIS  68  10.178  -2.649   0.520
  716    QB   HIS  68           QB       HIS  68   8.887  -2.928   5.254
  717    H    ILE  69           HN       ILE  69   6.283  -3.231   2.424
  718    HA   ILE  69           HA       ILE  69   6.237  -6.221   2.139
  719    HB   ILE  69           HB       ILE  69   4.641  -4.234   0.489
  720   1HG1  ILE  69          2HG1      ILE  69   3.976  -3.913   2.825
  721   2HG1  ILE  69          3HG1      ILE  69   2.708  -4.764   1.958
  722   1HG2  ILE  69          2HG2      ILE  69   4.340  -7.212   1.018
  723   2HG2  ILE  69          3HG2      ILE  69   3.235  -6.244   0.054
  724   3HG2  ILE  69          1HG2      ILE  69   4.895  -6.475  -0.476
  725   1HD1  ILE  69          1HD1      ILE  69   4.786  -6.095   3.744
  726   2HD1  ILE  69          2HD1      ILE  69   3.112  -5.793   4.176
  727   3HD1  ILE  69          3HD1      ILE  69   3.493  -6.914   2.886
  728    QG1  ILE  69           QG1      ILE  69   3.342  -4.339   2.391
  729    QG2  ILE  69           QG2      ILE  69   4.157  -6.644   0.199
  730    QD1  ILE  69           QD1      ILE  69   3.797  -6.267   3.602
  731    H    GLY  70           HN       GLY  70   6.582  -3.279   0.170
  732   1HA   GLY  70          1HA       GLY  70   9.010  -3.556  -0.977
  733   2HA   GLY  70          2HA       GLY  70   8.127  -4.813  -1.833
  734    QA   GLY  70           QA       GLY  70   8.568  -4.184  -1.405
  735    H    GLY  71           HN       GLY  71   7.798  -4.028  -3.817
  736   1HA   GLY  71          1HA       GLY  71   6.913  -1.187  -4.143
  737   2HA   GLY  71          2HA       GLY  71   7.710  -2.125  -5.395
  738    QA   GLY  71           QA       GLY  71   7.312  -1.656  -4.769
  739    OH   TYR  72           OH       TYR  72  -1.344  -5.182  -9.018
  740    H    TYR  72           HN       TYR  72   6.408  -4.117  -6.172
  741    HA   TYR  72           HA       TYR  72   3.475  -3.680  -5.827
  742   1HB   TYR  72          2HB       TYR  72   4.102  -2.466  -7.927
  743   2HB   TYR  72          3HB       TYR  72   4.717  -3.978  -8.596
  744    HD1  TYR  72           HD1      TYR  72   3.109  -5.929  -8.873
  745    HD2  TYR  72           HD2      TYR  72   1.710  -2.034  -7.847
  746    HE1  TYR  72           HE1      TYR  72   0.809  -6.639  -9.296
  747    HE2  TYR  72           HE2      TYR  72  -0.595  -2.755  -8.283
  748    HH   TYR  72           HH       TYR  72  -1.903  -4.818  -8.321
  749    QB   TYR  72           QB       TYR  72   4.409  -3.222  -8.262
  750    QR   TYR  72           QR       TYR  72   1.258  -4.339  -8.575
  751    H    THR  73           HN       THR  73   5.850  -5.694  -7.548
  752    HA   THR  73           HA       THR  73   4.467  -8.067  -7.873
  753    HB   THR  73           HB       THR  73   6.891  -9.070  -7.285
  754    HG1  THR  73          1HG       THR  73   7.923  -7.507  -6.204
  755   1HG2  THR  73          3HG2      THR  73   6.106  -8.435  -9.638
  756   2HG2  THR  73          1HG2      THR  73   6.645  -6.790  -9.317
  757   3HG2  THR  73          2HG2      THR  73   7.816  -8.105  -9.371
  758    QG2  THR  73           QG2      THR  73   6.856  -7.776  -9.442
  759    H    ASP  74           HN       ASP  74   6.271  -7.067  -5.119
  760    HA   ASP  74           HA       ASP  74   5.615  -9.190  -3.323
  761   1HB   ASP  74          2HB       ASP  74   6.179  -6.448  -2.253
  762   2HB   ASP  74          3HB       ASP  74   6.929  -7.986  -1.836
  763    QB   ASP  74           QB       ASP  74   6.554  -7.217  -2.045
  764    H    PHE  75           HN       PHE  75   4.098  -6.106  -4.024
  765    HA   PHE  75           HA       PHE  75   2.269  -6.147  -1.797
  766   1HB   PHE  75          2HB       PHE  75   2.820  -4.104  -3.162
  767   2HB   PHE  75          3HB       PHE  75   1.931  -4.795  -4.507
  768    HD1  PHE  75          2HD       PHE  75   0.378  -5.578  -1.327
  769    HD2  PHE  75          1HD       PHE  75   0.685  -2.539  -4.305
  770    HE1  PHE  75          2HE       PHE  75  -1.607  -4.489  -0.418
  771    HE2  PHE  75          1HE       PHE  75  -1.332  -1.475  -3.407
  772    HZ   PHE  75           HZ       PHE  75  -2.471  -2.437  -1.452
  773    QB   PHE  75           QB       PHE  75   2.375  -4.449  -3.834
  774    QR   PHE  75           QR       PHE  75  -0.469  -3.520  -2.364
  775    H    ALA  76           HN       ALA  76   1.905  -7.049  -5.216
  776    HA   ALA  76           HA       ALA  76  -0.798  -7.991  -4.981
  777   1HB   ALA  76          2HB       ALA  76   0.292  -7.569  -7.170
  778   2HB   ALA  76          3HB       ALA  76   1.370  -8.931  -6.890
  779   3HB   ALA  76          1HB       ALA  76  -0.359  -9.203  -7.090
  780    QB   ALA  76           QB       ALA  76   0.434  -8.568  -7.050
  781    H    ALA  77           HN       ALA  77   2.303  -9.772  -4.933
  782    HA   ALA  77           HA       ALA  77   1.177 -12.326  -4.352
  783   1HB   ALA  77          1HB       ALA  77   3.856 -11.186  -3.445
  784   2HB   ALA  77          2HB       ALA  77   3.420 -12.894  -3.430
  785   3HB   ALA  77          3HB       ALA  77   3.561 -12.034  -4.959
  786    QB   ALA  77           QB       ALA  77   3.612 -12.038  -3.945
  787    CH2  TRP  78           CH2      TRP  78  -1.049  -6.933   3.910
  788    H    TRP  78           HN       TRP  78   2.638  -9.989  -2.104
  789    HA   TRP  78           HA       TRP  78   2.053 -11.196   0.340
  790   1HB   TRP  78          2HB       TRP  78   3.235  -9.026   0.068
  791   2HB   TRP  78          3HB       TRP  78   1.731  -8.265  -0.349
  792    HD1  TRP  78           HD1      TRP  78   3.546  -9.782   2.706
  793    HE1  TRP  78           HE1      TRP  78   2.394  -9.060   4.807
  794    HE3  TRP  78           HE3      TRP  78  -0.286  -7.368   0.630
  795    HZ2  TRP  78           HZ2      TRP  78   0.094  -7.669   5.562
  796    HZ3  TRP  78           HZ3      TRP  78  -1.978  -6.309   2.090
  797    HH2  TRP  78           HH2      TRP  78  -1.806  -6.480   4.533
  798    QB   TRP  78           QB       TRP  78   2.483  -8.645  -0.140
  799    H    VAL  79           HN       VAL  79   0.002  -8.925  -1.402
  800    HA   VAL  79           HA       VAL  79  -2.299  -8.907   0.133
  801    HB   VAL  79           HB       VAL  79  -1.762  -8.742  -2.829
  802   1HG1  VAL  79          2HG1      VAL  79  -4.544  -8.742  -1.619
  803   2HG1  VAL  79          3HG1      VAL  79  -4.160  -8.246  -3.258
  804   3HG1  VAL  79          1HG1      VAL  79  -3.925  -9.912  -2.770
  805   1HG2  VAL  79          3HG2      VAL  79  -1.364  -6.797  -1.363
  806   2HG2  VAL  79          1HG2      VAL  79  -2.636  -6.462  -2.527
  807   3HG2  VAL  79          2HG2      VAL  79  -3.043  -6.830  -0.855
  808    QG1  VAL  79           QG1      VAL  79  -4.210  -8.967  -2.549
  809    QG2  VAL  79           QG2      VAL  79  -2.348  -6.696  -1.581
  810    QQG  VAL  79           QQG      VAL  79  -3.279  -7.831  -2.065
  811    H    LYS  80           HN       LYS  80  -1.708 -11.075  -2.612
  812    HA   LYS  80           HA       LYS  80  -3.916 -12.754  -2.268
  813   1HB   LYS  80          2HB       LYS  80  -2.419 -12.898  -4.228
  814   2HB   LYS  80          3HB       LYS  80  -1.131 -13.521  -3.207
  815   1HG   LYS  80          2HG       LYS  80  -2.209 -15.380  -4.377
  816   2HG   LYS  80          3HG       LYS  80  -2.521 -15.510  -2.657
  817   1HD   LYS  80          2HD       LYS  80  -4.758 -14.251  -3.177
  818   2HD   LYS  80          3HD       LYS  80  -4.421 -14.641  -4.856
  819   1HE   LYS  80          2HE       LYS  80  -5.799 -16.413  -4.026
  820   2HE   LYS  80          3HE       LYS  80  -4.167 -17.073  -4.104
  821   1HZ   LYS  80          2HZ       LYS  80  -4.524 -15.835  -1.594
  822   2HZ   LYS  80          3HZ       LYS  80  -5.863 -16.851  -1.888
  823   3HZ   LYS  80          1HZ       LYS  80  -4.275 -17.490  -1.928
  824    QB   LYS  80           QB       LYS  80  -1.775 -13.209  -3.717
  825    QG   LYS  80           QG       LYS  80  -2.365 -15.445  -3.517
  826    QD   LYS  80           QD       LYS  80  -4.590 -14.446  -4.016
  827    QE   LYS  80           QE       LYS  80  -4.983 -16.743  -4.065
  828    QZ   LYS  80           QZ       LYS  80  -4.887 -16.725  -1.803
  829    H    GLU  81           HN       GLU  81  -0.788 -13.041  -0.595
  830    HA   GLU  81           HA       GLU  81  -1.943 -15.332   0.941
  831   1HB   GLU  81          2HB       GLU  81   0.425 -15.805   1.570
  832   2HB   GLU  81          3HB       GLU  81   0.217 -15.716  -0.173
  833   1HG   GLU  81          2HG       GLU  81   0.913 -13.227   0.058
  834   2HG   GLU  81          3HG       GLU  81   1.474 -13.664   1.661
  835    QB   GLU  81           QB       GLU  81   0.321 -15.760   0.698
  836    QG   GLU  81           QG       GLU  81   1.194 -13.445   0.859
  837    H    ASN  82           HN       ASN  82  -2.753 -12.682   1.537
  838    HA   ASN  82           HA       ASN  82  -2.123 -12.676   4.445
  839   1HB   ASN  82          2HB       ASN  82  -1.559 -10.397   2.552
  840   2HB   ASN  82          3HB       ASN  82  -2.030 -10.044   4.208
  841   1HD2  ASN  82          2HD2      ASN  82   1.562 -11.870   3.501
  842   2HD2  ASN  82          1HD2      ASN  82   0.341 -11.923   2.319
  843    QB   ASN  82           QB       ASN  82  -1.794 -10.220   3.380
  844    QD2  ASN  82           QD2      ASN  82   0.951 -11.896   2.910
  845    H    LEU  83           HN       LEU  83  -4.003 -11.444   1.788
  846    HA   LEU  83           HA       LEU  83  -6.206 -10.705   3.615
  847   1HB   LEU  83          2HB       LEU  83  -5.978 -10.330   0.616
  848   2HB   LEU  83          3HB       LEU  83  -7.087  -9.509   1.701
  849    HG   LEU  83           HG       LEU  83  -4.059  -9.237   1.625
  850   1HD1  LEU  83          3HD1      LEU  83  -5.325  -7.947  -0.061
  851   2HD1  LEU  83          1HD1      LEU  83  -6.291  -7.228   1.214
  852   3HD1  LEU  83          2HD1      LEU  83  -4.568  -6.891   1.119
  853   1HD2  LEU  83          1HD2      LEU  83  -6.046  -8.033   3.593
  854   2HD2  LEU  83          2HD2      LEU  83  -4.791  -9.204   3.977
  855   3HD2  LEU  83          3HD2      LEU  83  -4.350  -7.583   3.471
  856    QB   LEU  83           QB       LEU  83  -6.533  -9.920   1.158
  857    QD1  LEU  83           QD1      LEU  83  -5.395  -7.355   0.757
  858    QD2  LEU  83           QD2      LEU  83  -5.062  -8.273   3.680
  859    QQD  LEU  83           QQD      LEU  83  -5.229  -7.814   2.219
  860    H    ASP  84           HN       ASP  84  -5.283 -13.099   1.321
  861    HA   ASP  84           HA       ASP  84  -8.011 -14.217   1.060
  862   1HB   ASP  84          2HB       ASP  84  -6.020 -14.084  -0.764
  863   2HB   ASP  84          3HB       ASP  84  -5.571 -15.595  -0.008
  864    QB   ASP  84           QB       ASP  84  -5.796 -14.839  -0.386
  865    H    ALA  85           HN       ALA  85  -4.856 -15.442   1.693
  866    HA   ALA  85           HA       ALA  85  -5.806 -17.096   3.968
  867   1HB   ALA  85          1HB       ALA  85  -5.636 -18.529   1.934
  868   2HB   ALA  85          2HB       ALA  85  -3.960 -18.026   1.734
  869   3HB   ALA  85          3HB       ALA  85  -4.431 -18.981   3.136
  870    QB   ALA  85           QB       ALA  85  -4.676 -18.512   2.268
   
  Start of MODEL           7
 Raw file had 870 H/Q atoms
  Start of MODEL    7
    1    H    MET   1           HN       MET   1  -6.403  -4.079   8.161
    2    HA   MET   1           HA       MET   1  -4.503  -2.911   9.894
    3   1HB   MET   1          2HB       MET   1  -4.188  -4.137   7.127
    4   2HB   MET   1          3HB       MET   1  -2.844  -3.740   8.185
    5   1HG   MET   1          2HG       MET   1  -3.355  -6.086   8.434
    6   2HG   MET   1          3HG       MET   1  -3.772  -5.252   9.908
    7   1HE   MET   1          1HE       MET   1  -4.627  -6.713   6.753
    8   2HE   MET   1          2HE       MET   1  -6.021  -7.737   7.071
    9   3HE   MET   1          3HE       MET   1  -6.251  -6.087   6.488
   10    QB   MET   1           QB       MET   1  -3.516  -3.938   7.656
   11    QG   MET   1           QG       MET   1  -3.564  -5.669   9.171
   12    QE   MET   1           QE       MET   1  -5.633  -6.846   6.770
   13    H    GLN   2           HN       GLN   2  -2.947  -1.298   9.430
   14    HA   GLN   2           HA       GLN   2  -4.028   0.888   7.843
   15   1HB   GLN   2          2HB       GLN   2  -2.261   0.587  10.078
   16   2HB   GLN   2          3HB       GLN   2  -1.340   1.407   8.827
   17   1HG   GLN   2          2HG       GLN   2  -4.080   2.255   9.856
   18   2HG   GLN   2          3HG       GLN   2  -2.554   3.023  10.267
   19   1HE2  GLN   2          2HE2      GLN   2  -2.607   3.609   6.388
   20   2HE2  GLN   2          1HE2      GLN   2  -1.826   2.357   7.223
   21    QB   GLN   2           QB       GLN   2  -1.801   0.997   9.452
   22    QG   GLN   2           QG       GLN   2  -3.317   2.639  10.062
   23    QE2  GLN   2           QE2      GLN   2  -2.217   2.983   6.805
   24    H    THR   3           HN       THR   3  -3.795   0.639   5.632
   25    HA   THR   3           HA       THR   3  -1.225  -0.480   4.652
   26    HB   THR   3           HB       THR   3  -3.671   0.164   2.948
   27    HG1  THR   3          1HG       THR   3  -4.165  -1.158   4.836
   28   1HG2  THR   3          2HG2      THR   3  -1.533  -2.019   2.854
   29   2HG2  THR   3          3HG2      THR   3  -2.784  -1.741   1.651
   30   3HG2  THR   3          1HG2      THR   3  -1.492  -0.565   1.857
   31    QG2  THR   3           QG2      THR   3  -1.936  -1.442   2.121
   32    H    VAL   4           HN       VAL   4   0.299   0.927   4.168
   33    HA   VAL   4           HA       VAL   4  -0.510   3.600   3.076
   34    HB   VAL   4           HB       VAL   4   1.978   3.069   4.711
   35   1HG1  VAL   4          1HG1      VAL   4   0.459   5.593   3.961
   36   2HG1  VAL   4          2HG1      VAL   4   1.882   5.543   4.994
   37   3HG1  VAL   4          3HG1      VAL   4   2.010   5.083   3.301
   38   1HG2  VAL   4          1HG2      VAL   4  -0.735   4.036   5.672
   39   2HG2  VAL   4          2HG2      VAL   4   0.049   2.527   6.123
   40   3HG2  VAL   4          3HG2      VAL   4   0.737   4.063   6.634
   41    QG1  VAL   4           QG1      VAL   4   1.450   5.406   4.085
   42    QG2  VAL   4           QG2      VAL   4   0.017   3.542   6.143
   43    QQG  VAL   4           QQG      VAL   4   0.734   4.474   5.114
   44    H    ILE   5           HN       ILE   5   0.420   4.271   1.262
   45    HA   ILE   5           HA       ILE   5   2.678   2.637   0.134
   46    HB   ILE   5           HB       ILE   5   1.198   4.675  -1.509
   47   1HG1  ILE   5          2HG1      ILE   5  -0.667   3.420  -0.691
   48   2HG1  ILE   5          3HG1      ILE   5  -0.343   2.951  -2.353
   49   1HG2  ILE   5          1HG2      ILE   5   3.221   3.613  -2.400
   50   2HG2  ILE   5          2HG2      ILE   5   2.500   2.021  -2.179
   51   3HG2  ILE   5          3HG2      ILE   5   1.812   3.150  -3.341
   52   1HD1  ILE   5          3HD1      ILE   5   0.571   1.394   0.097
   53   2HD1  ILE   5          1HD1      ILE   5  -0.791   0.966  -0.930
   54   3HD1  ILE   5          2HD1      ILE   5   0.847   0.928  -1.573
   55    QG1  ILE   5           QG1      ILE   5  -0.505   3.186  -1.522
   56    QG2  ILE   5           QG2      ILE   5   2.511   2.928  -2.640
   57    QD1  ILE   5           QD1      ILE   5   0.209   1.096  -0.802
   58    H    PHE   6           HN       PHE   6   4.596   3.613   0.191
   59    HA   PHE   6           HA       PHE   6   4.739   6.579   0.457
   60   1HB   PHE   6          2HB       PHE   6   6.812   4.387   0.872
   61   2HB   PHE   6          3HB       PHE   6   7.154   6.106   1.032
   62    HD1  PHE   6          2HD       PHE   6   5.143   3.310   2.417
   63    HD2  PHE   6          1HD       PHE   6   6.433   7.329   2.982
   64    HE1  PHE   6          2HE       PHE   6   4.174   3.306   4.666
   65    HE2  PHE   6          1HE       PHE   6   5.485   7.307   5.246
   66    HZ   PHE   6           HZ       PHE   6   4.376   5.294   6.104
   67    QB   PHE   6           QB       PHE   6   6.983   5.246   0.952
   68    QR   PHE   6           QR       PHE   6   5.309   5.313   3.828
   69    H    GLY   7           HN       GLY   7   4.941   7.609  -1.402
   70   1HA   GLY   7          1HA       GLY   7   6.472   6.305  -3.638
   71   2HA   GLY   7          2HA       GLY   7   5.021   7.255  -3.932
   72    QA   GLY   7           QA       GLY   7   5.747   6.780  -3.785
   73    NH1  ARG   8           NH1      ARG   8  13.185  10.641  -7.066
   74    NH2  ARG   8           NH2      ARG   8  12.280  10.220  -9.130
   75    H    ARG   8           HN       ARG   8   6.047   8.798  -5.215
   76    HA   ARG   8           HA       ARG   8   7.762  10.707  -3.711
   77   1HB   ARG   8          2HB       ARG   8   9.199   9.134  -5.169
   78   2HB   ARG   8          3HB       ARG   8   8.455   9.920  -6.551
   79   1HG   ARG   8          2HG       ARG   8   9.240  12.096  -5.011
   80   2HG   ARG   8          3HG       ARG   8  10.527  10.945  -4.707
   81   1HD   ARG   8          2HD       ARG   8   9.564  11.860  -7.455
   82   2HD   ARG   8          3HD       ARG   8  11.072  12.336  -6.677
   83    HE   ARG   8           HE       ARG   8  10.552   9.437  -7.237
   84   1HH1  ARG   8          2HH1      ARG   8  13.023  10.773  -6.085
   85   2HH1  ARG   8          1HH1      ARG   8  14.113  10.711  -7.430
   86   1HH2  ARG   8          2HH2      ARG   8  11.458  10.039  -9.674
   87   2HH2  ARG   8          1HH2      ARG   8  13.169  10.283  -9.580
   88    QB   ARG   8           QB       ARG   8   8.827   9.527  -5.860
   89    QG   ARG   8           QG       ARG   8   9.883  11.521  -4.859
   90    QD   ARG   8           QD       ARG   8  10.318  12.098  -7.066
   91    QH1  ARG   8           QH1      ARG   8  13.568  10.742  -6.757
   92    QH2  ARG   8           QH2      ARG   8  12.313  10.161  -9.627
   93    H    SER   9           HN       SER   9   7.440  12.730  -4.178
   94    HA   SER   9           HA       SER   9   5.091  13.739  -5.261
   95   1HB   SER   9          2HB       SER   9   6.510  14.945  -3.670
   96   2HB   SER   9          3HB       SER   9   7.790  15.102  -4.881
   97    HG   SER   9           HG       SER   9   6.477  16.381  -6.112
   98    QB   SER   9           QB       SER   9   7.150  15.023  -4.276
   99    H    GLY  10           HN       GLY  10   5.094  12.460  -7.345
  100   1HA   GLY  10          1HA       GLY  10   4.746  13.414  -9.651
  101   2HA   GLY  10          2HA       GLY  10   6.360  14.084  -9.526
  102    QA   GLY  10           QA       GLY  10   5.553  13.749  -9.589
  103    H    CYS  11           HN       CYS  11   5.754  10.810  -8.388
  104    HA   CYS  11           HA       CYS  11   7.140   9.837 -10.870
  105   1HB   CYS  11          2HB       CYS  11   8.401   9.826  -8.638
  106   2HB   CYS  11          3HB       CYS  11   7.315   8.551  -8.148
  107    HG   CYS  11           HG       CYS  11   9.638   8.248 -10.148
  108    QB   CYS  11           QB       CYS  11   7.858   9.189  -8.393
  109    HA   PRO  12           HA       PRO  12   3.484   7.377 -11.226
  110   1HB   PRO  12          2HB       PRO  12   4.182   5.857 -13.394
  111   2HB   PRO  12          3HB       PRO  12   3.837   7.587 -13.525
  112   1HG   PRO  12          2HG       PRO  12   6.502   6.174 -13.466
  113   2HG   PRO  12          3HG       PRO  12   6.019   7.595 -14.402
  114   1HD   PRO  12          2HD       PRO  12   7.496   7.682 -12.022
  115   2HD   PRO  12          3HD       PRO  12   6.563   9.048 -12.675
  116    QB   PRO  12           QB       PRO  12   4.010   6.722 -13.459
  117    QG   PRO  12           QG       PRO  12   6.261   6.884 -13.934
  118    QD   PRO  12           QD       PRO  12   7.029   8.365 -12.348
  119    OH   TYR  13           OH       TYR  13  10.842   4.773 -11.682
  120    H    TYR  13           HN       TYR  13   4.863   6.455  -9.103
  121    HA   TYR  13           HA       TYR  13   5.157   3.503  -9.551
  122   1HB   TYR  13          2HB       TYR  13   6.418   5.344  -7.501
  123   2HB   TYR  13          3HB       TYR  13   6.548   3.601  -7.435
  124    HD1  TYR  13           HD1      TYR  13   6.538   3.827 -10.805
  125    HD2  TYR  13           HD2      TYR  13   8.989   5.114  -7.579
  126    HE1  TYR  13           HE1      TYR  13   8.421   4.019 -12.322
  127    HE2  TYR  13           HE2      TYR  13  10.891   5.285  -9.116
  128    HH   TYR  13           HH       TYR  13  11.241   3.903 -11.770
  129    QB   TYR  13           QB       TYR  13   6.483   4.472  -7.468
  130    QR   TYR  13           QR       TYR  13   8.710   4.561  -9.956
  131    H    CYS  14           HN       CYS  14   4.306   5.485  -6.611
  132    HA   CYS  14           HA       CYS  14   2.742   3.402  -5.468
  133   1HB   CYS  14          2HB       CYS  14   3.120   5.272  -4.046
  134   2HB   CYS  14          3HB       CYS  14   2.480   6.402  -5.217
  135    HG   CYS  14           HG       CYS  14   0.149   5.928  -4.448
  136    QB   CYS  14           QB       CYS  14   2.800   5.837  -4.631
  137    H    VAL  15           HN       VAL  15   2.080   5.653  -7.948
  138    HA   VAL  15           HA       VAL  15  -0.648   5.728  -8.216
  139    HB   VAL  15           HB       VAL  15   1.254   5.336 -10.561
  140   1HG1  VAL  15          1HG1      VAL  15  -1.282   6.987 -10.237
  141   2HG1  VAL  15          2HG1      VAL  15  -0.270   6.955 -11.679
  142   3HG1  VAL  15          3HG1      VAL  15  -1.126   5.507 -11.169
  143   1HG2  VAL  15          1HG2      VAL  15   0.764   7.836  -8.889
  144   2HG2  VAL  15          2HG2      VAL  15   2.288   6.974  -9.042
  145   3HG2  VAL  15          3HG2      VAL  15   1.620   7.827 -10.423
  146    QG1  VAL  15           QG1      VAL  15  -0.892   6.483 -11.029
  147    QG2  VAL  15           QG2      VAL  15   1.557   7.546  -9.451
  148    QQG  VAL  15           QQG      VAL  15   0.333   7.014 -10.240
  149    NH1  ARG  16           NH2      ARG  16  -2.695   2.019 -11.331
  150    NH2  ARG  16           NH1      ARG  16  -3.465  -0.036 -11.911
  151    H    ARG  16           HN       ARG  16   1.210   2.861  -8.391
  152    HA   ARG  16           HA       ARG  16  -1.114   1.468  -9.666
  153   1HB   ARG  16          2HB       ARG  16   1.791   0.652  -9.344
  154   2HB   ARG  16          3HB       ARG  16   0.550  -0.417  -9.976
  155   1HG   ARG  16          2HG       ARG  16   0.975   2.338 -11.164
  156   2HG   ARG  16          3HG       ARG  16   1.944   0.977 -11.687
  157   1HD   ARG  16          2HD       ARG  16  -0.479   1.660 -12.808
  158   2HD   ARG  16          3HD       ARG  16   0.230   0.053 -12.889
  159    HE   ARG  16           HE       ARG  16  -1.150  -0.507 -10.841
  160   1HH1  ARG  16          2HH2      ARG  16  -1.947   2.605 -11.019
  161   2HH1  ARG  16          1HH2      ARG  16  -3.617   2.415 -11.424
  162   1HH2  ARG  16          2HH1      ARG  16  -3.278  -0.990 -12.144
  163   2HH2  ARG  16          1HH1      ARG  16  -4.416   0.306 -11.925
  164    QB   ARG  16           QB       ARG  16   1.170   0.117  -9.660
  165    QG   ARG  16           QG       ARG  16   1.459   1.658 -11.426
  166    QD   ARG  16           QD       ARG  16  -0.125   0.857 -12.849
  167    QH1  ARG  16           QH2      ARG  16  -2.782   2.510 -11.221
  168    QH2  ARG  16           QH1      ARG  16  -3.847  -0.342 -12.035
  169    H    ALA  17           HN       ALA  17   1.051   1.317  -6.875
  170    HA   ALA  17           HA       ALA  17  -0.218  -0.880  -5.567
  171   1HB   ALA  17          2HB       ALA  17   1.864   0.201  -4.685
  172   2HB   ALA  17          3HB       ALA  17   0.917   1.625  -4.267
  173   3HB   ALA  17          1HB       ALA  17   0.609   0.094  -3.452
  174    QB   ALA  17           QB       ALA  17   1.130   0.640  -4.135
  175    H    LYS  18           HN       LYS  18  -0.905   2.553  -5.754
  176    HA   LYS  18           HA       LYS  18  -3.084   2.728  -3.944
  177   1HB   LYS  18          2HB       LYS  18  -2.006   4.691  -5.066
  178   2HB   LYS  18          3HB       LYS  18  -2.681   4.170  -6.604
  179   1HG   LYS  18          2HG       LYS  18  -4.873   4.262  -4.783
  180   2HG   LYS  18          3HG       LYS  18  -3.937   5.716  -4.482
  181   1HD   LYS  18          2HD       LYS  18  -5.489   6.295  -6.221
  182   2HD   LYS  18          3HD       LYS  18  -3.933   6.104  -7.013
  183   1HE   LYS  18          2HE       LYS  18  -5.675   4.963  -8.320
  184   2HE   LYS  18          3HE       LYS  18  -4.560   3.779  -7.654
  185   1HZ   LYS  18          3HZ       LYS  18  -6.639   4.262  -5.796
  186   2HZ   LYS  18          1HZ       LYS  18  -7.338   3.903  -7.302
  187   3HZ   LYS  18          2HZ       LYS  18  -6.230   2.818  -6.581
  188    QB   LYS  18           QB       LYS  18  -2.343   4.431  -5.835
  189    QG   LYS  18           QG       LYS  18  -4.405   4.989  -4.633
  190    QD   LYS  18           QD       LYS  18  -4.711   6.199  -6.617
  191    QE   LYS  18           QE       LYS  18  -5.118   4.371  -7.987
  192    QZ   LYS  18           QZ       LYS  18  -6.736   3.661  -6.560
  193    H    ASP  19           HN       ASP  19  -2.940   1.690  -7.300
  194    HA   ASP  19           HA       ASP  19  -5.781   1.398  -7.692
  195   1HB   ASP  19          2HB       ASP  19  -3.302   0.742  -9.113
  196   2HB   ASP  19          3HB       ASP  19  -4.585  -0.399  -9.430
  197    QB   ASP  19           QB       ASP  19  -3.943   0.171  -9.272
  198    H    LEU  20           HN       LEU  20  -3.327  -1.125  -7.303
  199    HA   LEU  20           HA       LEU  20  -5.173  -3.258  -6.917
  200   1HB   LEU  20          2HB       LEU  20  -2.894  -3.826  -7.375
  201   2HB   LEU  20          3HB       LEU  20  -2.300  -2.903  -6.006
  202    HG   LEU  20           HG       LEU  20  -3.258  -4.503  -4.428
  203   1HD1  LEU  20          1HD1      LEU  20  -4.384  -5.940  -6.862
  204   2HD1  LEU  20          2HD1      LEU  20  -4.483  -6.505  -5.197
  205   3HD1  LEU  20          3HD1      LEU  20  -5.337  -5.050  -5.685
  206   1HD2  LEU  20          3HD2      LEU  20  -1.077  -5.116  -5.444
  207   2HD2  LEU  20          1HD2      LEU  20  -2.033  -6.541  -5.059
  208   3HD2  LEU  20          2HD2      LEU  20  -1.923  -5.979  -6.724
  209    QB   LEU  20           QB       LEU  20  -2.597  -3.364  -6.691
  210    QD1  LEU  20           QD1      LEU  20  -4.735  -5.832  -5.914
  211    QD2  LEU  20           QD2      LEU  20  -1.678  -5.879  -5.742
  212    QQD  LEU  20           QQD      LEU  20  -3.206  -5.855  -5.828
  213    H    ALA  21           HN       ALA  21  -3.644  -1.114  -4.544
  214    HA   ALA  21           HA       ALA  21  -4.789  -2.431  -2.255
  215   1HB   ALA  21          1HB       ALA  21  -2.888  -0.831  -2.067
  216   2HB   ALA  21          2HB       ALA  21  -3.937   0.480  -2.583
  217   3HB   ALA  21          3HB       ALA  21  -4.230  -0.328  -1.048
  218    QB   ALA  21           QB       ALA  21  -3.685  -0.226  -1.900
  219    H    GLU  22           HN       GLU  22  -5.772   0.415  -4.144
  220    HA   GLU  22           HA       GLU  22  -8.130   1.122  -2.821
  221   1HB   GLU  22          2HB       GLU  22  -7.129   2.279  -4.784
  222   2HB   GLU  22          3HB       GLU  22  -7.743   1.014  -5.829
  223   1HG   GLU  22          2HG       GLU  22  -9.943   1.745  -5.605
  224   2HG   GLU  22          3HG       GLU  22  -9.657   2.474  -4.024
  225    QB   GLU  22           QB       GLU  22  -7.436   1.647  -5.307
  226    QG   GLU  22           QG       GLU  22  -9.800   2.109  -4.814
  227    H    LYS  23           HN       LYS  23  -7.682  -1.308  -5.358
  228    HA   LYS  23           HA       LYS  23 -10.285  -2.294  -5.560
  229   1HB   LYS  23          2HB       LYS  23  -8.478  -3.188  -6.937
  230   2HB   LYS  23          3HB       LYS  23  -7.702  -3.883  -5.533
  231   1HG   LYS  23          2HG       LYS  23  -8.845  -5.667  -6.675
  232   2HG   LYS  23          3HG       LYS  23  -9.708  -5.346  -5.188
  233   1HD   LYS  23          2HD       LYS  23 -10.619  -3.871  -7.640
  234   2HD   LYS  23          3HD       LYS  23 -10.957  -5.592  -7.579
  235   1HE   LYS  23          2HE       LYS  23 -11.868  -3.480  -5.593
  236   2HE   LYS  23          3HE       LYS  23 -12.871  -4.462  -6.646
  237   1HZ   LYS  23          1HZ       LYS  23 -11.331  -6.236  -5.134
  238   2HZ   LYS  23          2HZ       LYS  23 -11.879  -5.052  -4.056
  239   3HZ   LYS  23          3HZ       LYS  23 -13.003  -5.937  -4.980
  240    QB   LYS  23           QB       LYS  23  -8.090  -3.535  -6.235
  241    QG   LYS  23           QG       LYS  23  -9.276  -5.506  -5.931
  242    QD   LYS  23           QD       LYS  23 -10.788  -4.731  -7.610
  243    QE   LYS  23           QE       LYS  23 -12.370  -3.971  -6.120
  244    QZ   LYS  23           QZ       LYS  23 -12.071  -5.742  -4.723
  245    H    LEU  24           HN       LEU  24  -7.860  -3.426  -3.224
  246    HA   LEU  24           HA       LEU  24  -9.615  -5.190  -1.756
  247   1HB   LEU  24          2HB       LEU  24  -7.004  -3.826  -1.052
  248   2HB   LEU  24          3HB       LEU  24  -7.770  -5.014  -0.011
  249    HG   LEU  24           HG       LEU  24  -7.248  -5.627  -2.931
  250   1HD1  LEU  24          2HD1      LEU  24  -5.094  -4.926  -1.903
  251   2HD1  LEU  24          3HD1      LEU  24  -5.348  -6.083  -0.611
  252   3HD1  LEU  24          1HD1      LEU  24  -5.110  -6.644  -2.257
  253   1HD2  LEU  24          1HD2      LEU  24  -7.518  -7.328  -0.419
  254   2HD2  LEU  24          2HD2      LEU  24  -8.742  -7.140  -1.661
  255   3HD2  LEU  24          3HD2      LEU  24  -7.232  -7.955  -2.037
  256    QB   LEU  24           QB       LEU  24  -7.387  -4.420  -0.532
  257    QD1  LEU  24           QD1      LEU  24  -5.184  -5.884  -1.590
  258    QD2  LEU  24           QD2      LEU  24  -7.831  -7.475  -1.373
  259    QQD  LEU  24           QQD      LEU  24  -6.507  -6.679  -1.482
  260    H    SER  25           HN       SER  25  -8.531  -1.865  -1.038
  261    HA   SER  25           HA       SER  25 -10.006  -1.587   1.358
  262   1HB   SER  25          2HB       SER  25 -10.073   0.967   0.526
  263   2HB   SER  25          3HB       SER  25  -8.533   0.224   0.996
  264    HG   SER  25           HG       SER  25  -9.516  -0.203  -1.585
  265    QB   SER  25           QB       SER  25  -9.303   0.595   0.761
  266    H    ASN  26           HN       ASN  26 -11.181  -1.570  -1.924
  267    HA   ASN  26           HA       ASN  26 -13.815  -0.511  -1.045
  268   1HB   ASN  26          2HB       ASN  26 -12.805   0.119  -3.283
  269   2HB   ASN  26          3HB       ASN  26 -12.986  -1.560  -3.782
  270   1HD2  ASN  26          2HD2      ASN  26 -16.475  -1.271  -4.365
  271   2HD2  ASN  26          1HD2      ASN  26 -15.173  -2.349  -4.182
  272    QB   ASN  26           QB       ASN  26 -12.896  -0.720  -3.533
  273    QD2  ASN  26           QD2      ASN  26 -15.824  -1.810  -4.274
  274    H    GLU  27           HN       GLU  27 -12.634  -3.091  -0.115
  275    HA   GLU  27           HA       GLU  27 -14.876  -4.895  -0.980
  276   1HB   GLU  27          2HB       GLU  27 -12.083  -5.612   0.002
  277   2HB   GLU  27          3HB       GLU  27 -13.343  -6.780  -0.324
  278   1HG   GLU  27          2HG       GLU  27 -13.390  -6.165  -2.668
  279   2HG   GLU  27          3HG       GLU  27 -12.273  -4.842  -2.361
  280    QB   GLU  27           QB       GLU  27 -12.713  -6.196  -0.161
  281    QG   GLU  27           QG       GLU  27 -12.832  -5.504  -2.515
  282    NH1  ARG  28           NH2      ARG  28 -12.712 -10.958   2.019
  283    NH2  ARG  28           NH1      ARG  28 -11.335 -10.071   0.406
  284    H    ARG  28           HN       ARG  28 -12.595  -4.596   1.714
  285    HA   ARG  28           HA       ARG  28 -14.891  -5.038   3.591
  286   1HB   ARG  28          2HB       ARG  28 -12.053  -6.083   3.911
  287   2HB   ARG  28          3HB       ARG  28 -13.381  -6.357   5.029
  288   1HG   ARG  28          2HG       ARG  28 -13.683  -8.285   3.856
  289   2HG   ARG  28          3HG       ARG  28 -14.504  -7.250   2.696
  290   1HD   ARG  28          2HD       ARG  28 -12.282  -6.916   1.538
  291   2HD   ARG  28          3HD       ARG  28 -11.583  -8.103   2.621
  292    HE   ARG  28           HE       ARG  28 -13.787  -8.745   0.669
  293   1HH1  ARG  28          2HH2      ARG  28 -13.502 -10.841   2.616
  294   2HH1  ARG  28          1HH2      ARG  28 -12.181 -11.822   2.052
  295   1HH2  ARG  28          2HH1      ARG  28 -11.129  -9.301  -0.217
  296   2HH2  ARG  28          1HH1      ARG  28 -10.746 -10.888   0.416
  297    QB   ARG  28           QB       ARG  28 -12.717  -6.220   4.470
  298    QG   ARG  28           QG       ARG  28 -14.093  -7.768   3.276
  299    QD   ARG  28           QD       ARG  28 -11.933  -7.510   2.080
  300    QH1  ARG  28           QH2      ARG  28 -12.841 -11.332   2.334
  301    QH2  ARG  28           QH1      ARG  28 -10.938 -10.095   0.100
  302    H    ASP  29           HN       ASP  29 -13.660  -4.742   5.942
  303    HA   ASP  29           HA       ASP  29 -12.829  -1.884   5.939
  304   1HB   ASP  29          2HB       ASP  29 -13.616  -1.939   8.318
  305   2HB   ASP  29          3HB       ASP  29 -14.885  -2.364   7.178
  306    QB   ASP  29           QB       ASP  29 -14.251  -2.152   7.748
  307    H    ASP  30           HN       ASP  30 -11.472  -4.932   6.227
  308    HA   ASP  30           HA       ASP  30  -9.533  -4.239   8.337
  309   1HB   ASP  30          2HB       ASP  30  -8.615  -6.441   8.015
  310   2HB   ASP  30          3HB       ASP  30 -10.357  -6.640   7.884
  311    QB   ASP  30           QB       ASP  30  -9.486  -6.540   7.949
  312    H    PHE  31           HN       PHE  31  -9.977  -3.638   5.077
  313    HA   PHE  31           HA       PHE  31  -7.058  -3.112   4.716
  314   1HB   PHE  31          2HB       PHE  31  -8.186  -4.794   3.184
  315   2HB   PHE  31          3HB       PHE  31  -9.127  -3.455   2.531
  316    HD1  PHE  31          1HD       PHE  31  -7.883  -1.507   1.496
  317    HD2  PHE  31          2HD       PHE  31  -5.875  -5.049   2.626
  318    HE1  PHE  31          1HE       PHE  31  -6.014  -0.878   0.066
  319    HE2  PHE  31          2HE       PHE  31  -3.981  -4.434   1.193
  320    HZ   PHE  31           HZ       PHE  31  -4.032  -2.335  -0.066
  321    QB   PHE  31           QB       PHE  31  -8.656  -4.125   2.858
  322    QR   PHE  31           QR       PHE  31  -5.938  -2.967   1.345
  323    H    GLN  32           HN       GLN  32  -6.931  -1.045   5.497
  324    HA   GLN  32           HA       GLN  32  -8.592   1.056   4.150
  325   1HB   GLN  32          2HB       GLN  32  -6.954   1.328   6.705
  326   2HB   GLN  32          3HB       GLN  32  -8.149   2.454   6.069
  327   1HG   GLN  32          2HG       GLN  32  -9.783   1.378   7.217
  328   2HG   GLN  32          3HG       GLN  32  -9.430  -0.114   6.368
  329   1HE2  GLN  32          2HE2      GLN  32  -8.644   0.026  10.232
  330   2HE2  GLN  32          1HE2      GLN  32  -9.712   1.059   9.417
  331    QB   GLN  32           QB       GLN  32  -7.551   1.891   6.387
  332    QG   GLN  32           QG       GLN  32  -9.606   0.632   6.792
  333    QE2  GLN  32           QE2      GLN  32  -9.178   0.542   9.825
  334    OH   TYR  33           OH       TYR  33  -6.428   5.378  -3.288
  335    H    TYR  33           HN       TYR  33  -7.402   2.378   2.763
  336    HA   TYR  33           HA       TYR  33  -4.442   2.129   3.025
  337   1HB   TYR  33          2HB       TYR  33  -4.193   1.444   0.872
  338   2HB   TYR  33          3HB       TYR  33  -5.885   0.998   0.996
  339    HD1  TYR  33           HD2      TYR  33  -3.699   3.880  -0.014
  340    HD2  TYR  33           HD1      TYR  33  -7.440   1.913  -0.542
  341    HE1  TYR  33           HE2      TYR  33  -4.236   5.385  -1.869
  342    HE2  TYR  33           HE1      TYR  33  -7.977   3.434  -2.388
  343    HH   TYR  33           HH       TYR  33  -7.234   5.071  -3.734
  344    QB   TYR  33           QB       TYR  33  -5.039   1.221   0.934
  345    QR   TYR  33           QR       TYR  33  -5.838   3.653  -1.203
  346    H    GLN  34           HN       GLN  34  -3.193   3.797   2.735
  347    HA   GLN  34           HA       GLN  34  -4.292   6.424   1.840
  348   1HB   GLN  34          2HB       GLN  34  -2.516   7.202   3.802
  349   2HB   GLN  34          3HB       GLN  34  -4.248   7.148   4.018
  350   1HG   GLN  34          2HG       GLN  34  -2.410   4.798   4.600
  351   2HG   GLN  34          3HG       GLN  34  -2.904   5.963   5.822
  352   1HE2  GLN  34          2HE2      GLN  34  -6.451   4.709   5.014
  353   2HE2  GLN  34          1HE2      GLN  34  -5.699   6.146   4.534
  354    QB   GLN  34           QB       GLN  34  -3.382   7.175   3.910
  355    QG   GLN  34           QG       GLN  34  -2.657   5.380   5.211
  356    QE2  GLN  34           QE2      GLN  34  -6.075   5.427   4.774
  357    OH   TYR  35           OH       TYR  35   3.466   9.596  -4.102
  358    H    TYR  35           HN       TYR  35  -2.561   7.971   1.319
  359    HA   TYR  35           HA       TYR  35  -0.082   6.596   0.339
  360   1HB   TYR  35          2HB       TYR  35  -1.522   7.204  -1.534
  361   2HB   TYR  35          3HB       TYR  35  -1.733   8.831  -0.902
  362    HD1  TYR  35           HD2      TYR  35   1.256   6.631  -1.509
  363    HD2  TYR  35           HD1      TYR  35  -0.576  10.405  -2.216
  364    HE1  TYR  35           HE2      TYR  35   3.166   7.303  -2.869
  365    HE2  TYR  35           HE1      TYR  35   1.363  11.082  -3.558
  366    HH   TYR  35           HH       TYR  35   3.799  10.453  -3.777
  367    QB   TYR  35           QB       TYR  35  -1.628   8.017  -1.218
  368    QR   TYR  35           QR       TYR  35   1.302   8.855  -2.538
  369    H    VAL  36           HN       VAL  36   1.838   7.623   0.732
  370    HA   VAL  36           HA       VAL  36   1.778  10.309   2.071
  371    HB   VAL  36           HB       VAL  36   3.435   7.869   2.874
  372   1HG1  VAL  36          2HG1      VAL  36   4.562  10.076   3.289
  373   2HG1  VAL  36          3HG1      VAL  36   3.152  10.576   4.216
  374   3HG1  VAL  36          1HG1      VAL  36   4.141   9.241   4.779
  375   1HG2  VAL  36          1HG2      VAL  36   1.026   7.680   3.478
  376   2HG2  VAL  36          2HG2      VAL  36   2.013   7.905   4.916
  377   3HG2  VAL  36          3HG2      VAL  36   1.100   9.258   4.251
  378    QG1  VAL  36           QG1      VAL  36   3.952   9.964   4.095
  379    QG2  VAL  36           QG2      VAL  36   1.380   8.281   4.215
  380    QQG  VAL  36           QQG      VAL  36   2.666   9.123   4.155
  381    H    ASP  37           HN       ASP  37   3.636  11.650   1.575
  382    HA   ASP  37           HA       ASP  37   5.333  10.530  -0.649
  383   1HB   ASP  37          2HB       ASP  37   3.532  12.440  -1.134
  384   2HB   ASP  37          3HB       ASP  37   4.824  13.460  -0.526
  385    QB   ASP  37           QB       ASP  37   4.178  12.950  -0.830
  386    H    ILE  38           HN       ILE  38   7.347  10.332  -0.019
  387    HA   ILE  38           HA       ILE  38   8.531  11.422   2.267
  388    HB   ILE  38           HB       ILE  38  10.736  10.952   1.157
  389   1HG1  ILE  38          2HG1      ILE  38   9.016  10.339  -1.283
  390   2HG1  ILE  38          3HG1      ILE  38  10.076  11.732  -1.128
  391   1HG2  ILE  38          1HG2      ILE  38   9.388   9.148   2.216
  392   2HG2  ILE  38          2HG2      ILE  38   8.613   8.828   0.666
  393   3HG2  ILE  38          3HG2      ILE  38  10.336   8.541   0.865
  394   1HD1  ILE  38          1HD1      ILE  38  12.034  10.232  -0.879
  395   2HD1  ILE  38          2HD1      ILE  38  10.978   8.831  -1.039
  396   3HD1  ILE  38          3HD1      ILE  38  11.189   9.928  -2.396
  397    QG1  ILE  38           QG1      ILE  38   9.546  11.035  -1.206
  398    QG2  ILE  38           QG2      ILE  38   9.446   8.839   1.249
  399    QD1  ILE  38           QD1      ILE  38  11.400   9.664  -1.438
  400    NH1  ARG  39           NH1      ARG  39  11.622  18.513  -0.477
  401    NH2  ARG  39           NH2      ARG  39  10.739  17.012   1.000
  402    H    ARG  39           HN       ARG  39   8.063  12.977  -0.853
  403    HA   ARG  39           HA       ARG  39   9.923  15.123  -0.018
  404   1HB   ARG  39          2HB       ARG  39   9.668  14.274  -2.440
  405   2HB   ARG  39          3HB       ARG  39   8.150  15.139  -2.472
  406   1HG   ARG  39          2HG       ARG  39  10.866  16.395  -1.907
  407   2HG   ARG  39          3HG       ARG  39  10.023  16.453  -3.439
  408   1HD   ARG  39          2HD       ARG  39   9.378  18.504  -2.560
  409   2HD   ARG  39          3HD       ARG  39   8.050  17.495  -2.009
  410    HE   ARG  39           HE       ARG  39   8.711  18.392   0.094
  411   1HH1  ARG  39          2HH1      ARG  39  11.473  19.172  -1.216
  412   2HH1  ARG  39          1HH1      ARG  39  12.543  18.379  -0.105
  413   1HH2  ARG  39          2HH2      ARG  39   9.918  16.561   1.373
  414   2HH2  ARG  39          1HH2      ARG  39  11.634  16.815   1.399
  415    QB   ARG  39           QB       ARG  39   8.909  14.706  -2.456
  416    QG   ARG  39           QG       ARG  39  10.445  16.424  -2.673
  417    QD   ARG  39           QD       ARG  39   8.714  17.999  -2.284
  418    QH1  ARG  39           QH1      ARG  39  12.008  18.775  -0.661
  419    QH2  ARG  39           QH2      ARG  39  10.776  16.688   1.386
  420    H    ALA  40           HN       ALA  40   6.553  14.989  -1.156
  421    HA   ALA  40           HA       ALA  40   5.540  17.437  -0.582
  422   1HB   ALA  40          1HB       ALA  40   4.126  15.469  -1.206
  423   2HB   ALA  40          2HB       ALA  40   4.197  14.934   0.474
  424   3HB   ALA  40          3HB       ALA  40   3.415  16.451   0.074
  425    QB   ALA  40           QB       ALA  40   3.913  15.618  -0.219
  426    H    GLU  41           HN       GLU  41   6.191  15.020   1.947
  427    HA   GLU  41           HA       GLU  41   5.569  17.093   3.984
  428   1HB   GLU  41          2HB       GLU  41   6.166  14.125   4.182
  429   2HB   GLU  41          3HB       GLU  41   5.808  15.153   5.572
  430   1HG   GLU  41          2HG       GLU  41   3.631  15.762   4.599
  431   2HG   GLU  41          3HG       GLU  41   4.000  14.850   3.137
  432    QB   GLU  41           QB       GLU  41   5.987  14.639   4.877
  433    QG   GLU  41           QG       GLU  41   3.815  15.306   3.868
  434    H    GLY  42           HN       GLY  42   8.319  14.892   3.260
  435   1HA   GLY  42          1HA       GLY  42  10.554  16.098   3.202
  436   2HA   GLY  42          2HA       GLY  42  10.049  16.906   4.675
  437    QA   GLY  42           QA       GLY  42  10.302  16.502   3.939
  438    H    ILE  43           HN       ILE  43  10.025  13.547   3.573
  439    HA   ILE  43           HA       ILE  43  11.296  12.783   6.167
  440    HB   ILE  43           HB       ILE  43   9.781  11.097   4.126
  441   1HG1  ILE  43          2HG1      ILE  43   9.029  12.150   6.881
  442   2HG1  ILE  43          3HG1      ILE  43   8.283  12.579   5.350
  443   1HG2  ILE  43          3HG2      ILE  43  11.552   9.797   5.310
  444   2HG2  ILE  43          1HG2      ILE  43  10.907  10.330   6.861
  445   3HG2  ILE  43          2HG2      ILE  43   9.958   9.276   5.819
  446   1HD1  ILE  43          1HD1      ILE  43   7.529  10.206   5.080
  447   2HD1  ILE  43          2HD1      ILE  43   8.216   9.827   6.657
  448   3HD1  ILE  43          3HD1      ILE  43   6.876  10.955   6.531
  449    QG1  ILE  43           QG1      ILE  43   8.656  12.364   6.115
  450    QG2  ILE  43           QG2      ILE  43  10.806   9.801   5.997
  451    QD1  ILE  43           QD1      ILE  43   7.540  10.329   6.089
  452    H    THR  44           HN       THR  44  13.062  11.193   6.013
  453    HA   THR  44           HA       THR  44  14.495  11.410   3.395
  454    HB   THR  44           HB       THR  44  16.595  11.393   4.720
  455    HG1  THR  44          1HG       THR  44  16.408  10.411   6.552
  456   1HG2  THR  44          3HG2      THR  44  15.332  13.620   4.659
  457   2HG2  THR  44          1HG2      THR  44  14.557  13.156   6.169
  458   3HG2  THR  44          2HG2      THR  44  16.299  13.406   6.116
  459    QG2  THR  44           QG2      THR  44  15.396  13.394   5.648
  460    H    LYS  45           HN       LYS  45  15.823   9.503   2.834
  461    HA   LYS  45           HA       LYS  45  14.387   7.082   2.995
  462   1HB   LYS  45          2HB       LYS  45  16.475   5.977   2.243
  463   2HB   LYS  45          3HB       LYS  45  16.133   7.436   1.323
  464   1HG   LYS  45          2HG       LYS  45  17.715   8.675   2.853
  465   2HG   LYS  45          3HG       LYS  45  18.126   7.138   3.589
  466   1HD   LYS  45          2HD       LYS  45  18.719   6.301   1.236
  467   2HD   LYS  45          3HD       LYS  45  18.555   7.973   0.707
  468   1HE   LYS  45          2HE       LYS  45  20.916   7.465   1.259
  469   2HE   LYS  45          3HE       LYS  45  20.258   8.681   2.353
  470   1HZ   LYS  45          3HZ       LYS  45  19.740   6.109   3.378
  471   2HZ   LYS  45          1HZ       LYS  45  21.407   6.258   3.052
  472   3HZ   LYS  45          2HZ       LYS  45  20.613   7.383   4.061
  473    QB   LYS  45           QB       LYS  45  16.304   6.706   1.783
  474    QG   LYS  45           QG       LYS  45  17.920   7.907   3.221
  475    QD   LYS  45           QD       LYS  45  18.637   7.137   0.972
  476    QE   LYS  45           QE       LYS  45  20.587   8.073   1.806
  477    QZ   LYS  45           QZ       LYS  45  20.586   6.584   3.497
  478    H    GLU  46           HN       GLU  46  16.964   8.207   5.161
  479    HA   GLU  46           HA       GLU  46  17.460   5.886   6.670
  480   1HB   GLU  46          2HB       GLU  46  17.088   8.704   7.777
  481   2HB   GLU  46          3HB       GLU  46  17.809   7.378   8.661
  482   1HG   GLU  46          2HG       GLU  46  19.594   8.752   7.758
  483   2HG   GLU  46          3HG       GLU  46  19.583   7.232   6.870
  484    QB   GLU  46           QB       GLU  46  17.448   8.041   8.219
  485    QG   GLU  46           QG       GLU  46  19.588   7.992   7.314
  486    H    ASP  47           HN       ASP  47  15.123   8.365   7.541
  487    HA   ASP  47           HA       ASP  47  13.769   7.165   9.662
  488   1HB   ASP  47          2HB       ASP  47  13.289   9.432   8.993
  489   2HB   ASP  47          3HB       ASP  47  12.759   8.917   7.397
  490    QB   ASP  47           QB       ASP  47  13.024   9.175   8.195
  491    H    LEU  48           HN       LEU  48  13.088   6.780   6.255
  492    HA   LEU  48           HA       LEU  48  10.889   4.903   6.617
  493   1HB   LEU  48          2HB       LEU  48  12.457   6.077   4.370
  494   2HB   LEU  48          3HB       LEU  48  11.761   4.507   4.029
  495    HG   LEU  48           HG       LEU  48  10.170   6.818   5.218
  496   1HD1  LEU  48          1HD1      LEU  48  10.434   5.934   2.325
  497   2HD1  LEU  48          2HD1      LEU  48   9.294   7.136   2.918
  498   3HD1  LEU  48          3HD1      LEU  48  11.023   7.452   2.995
  499   1HD2  LEU  48          2HD2      LEU  48   9.343   4.234   3.825
  500   2HD2  LEU  48          3HD2      LEU  48   9.209   4.546   5.552
  501   3HD2  LEU  48          1HD2      LEU  48   8.240   5.473   4.415
  502    QB   LEU  48           QB       LEU  48  12.109   5.292   4.199
  503    QD1  LEU  48           QD1      LEU  48  10.250   6.841   2.746
  504    QD2  LEU  48           QD2      LEU  48   8.931   4.751   4.597
  505    QQD  LEU  48           QQD      LEU  48   9.590   5.796   3.672
  506    H    GLN  49           HN       GLN  49  14.331   4.518   5.857
  507    HA   GLN  49           HA       GLN  49  14.262   1.703   5.486
  508   1HB   GLN  49          2HB       GLN  49  16.240   3.354   5.166
  509   2HB   GLN  49          3HB       GLN  49  16.516   3.169   6.895
  510   1HG   GLN  49          2HG       GLN  49  17.119   0.916   6.695
  511   2HG   GLN  49          3HG       GLN  49  16.195   0.700   5.215
  512   1HE2  GLN  49          2HE2      GLN  49  20.049   1.745   4.960
  513   2HE2  GLN  49          1HE2      GLN  49  19.317   1.329   6.430
  514    QB   GLN  49           QB       GLN  49  16.378   3.262   6.031
  515    QG   GLN  49           QG       GLN  49  16.657   0.808   5.955
  516    QE2  GLN  49           QE2      GLN  49  19.683   1.537   5.695
  517    H    GLN  50           HN       GLN  50  14.493   3.737   8.305
  518    HA   GLN  50           HA       GLN  50  14.733   1.847  10.368
  519   1HB   GLN  50          2HB       GLN  50  14.044   4.636  10.019
  520   2HB   GLN  50          3HB       GLN  50  13.059   3.949  11.271
  521   1HG   GLN  50          2HG       GLN  50  14.930   4.613  12.502
  522   2HG   GLN  50          3HG       GLN  50  15.413   2.967  12.099
  523   1HE2  GLN  50          2HE2      GLN  50  17.514   4.256   9.334
  524   2HE2  GLN  50          1HE2      GLN  50  16.259   3.122   9.501
  525    QB   GLN  50           QB       GLN  50  13.552   4.293  10.645
  526    QG   GLN  50           QG       GLN  50  15.171   3.790  12.300
  527    QE2  GLN  50           QE2      GLN  50  16.886   3.689   9.418
  528    H    LYS  51           HN       LYS  51  12.149   2.439   8.275
  529    HA   LYS  51           HA       LYS  51  10.117   1.162  10.038
  530   1HB   LYS  51          2HB       LYS  51   9.975   2.802   7.487
  531   2HB   LYS  51          3HB       LYS  51   8.567   2.055   8.192
  532   1HG   LYS  51          2HG       LYS  51   8.856   3.317  10.260
  533   2HG   LYS  51          3HG       LYS  51  10.406   3.935   9.699
  534   1HD   LYS  51          2HD       LYS  51   9.274   5.139   7.857
  535   2HD   LYS  51          3HD       LYS  51   7.724   4.486   8.371
  536   1HE   LYS  51          2HE       LYS  51   8.103   6.812   9.193
  537   2HE   LYS  51          3HE       LYS  51   7.886   5.662  10.506
  538   1HZ   LYS  51          3HZ       LYS  51  10.628   5.807   9.847
  539   2HZ   LYS  51          1HZ       LYS  51  10.029   7.386  10.026
  540   3HZ   LYS  51          2HZ       LYS  51   9.853   6.276  11.300
  541    QB   LYS  51           QB       LYS  51   9.271   2.428   7.839
  542    QG   LYS  51           QG       LYS  51   9.631   3.626   9.980
  543    QD   LYS  51           QD       LYS  51   8.499   4.813   8.114
  544    QE   LYS  51           QE       LYS  51   7.995   6.237   9.849
  545    QZ   LYS  51           QZ       LYS  51  10.170   6.489  10.391
  546    H    ALA  52           HN       ALA  52  11.655   0.938   6.926
  547    HA   ALA  52           HA       ALA  52  10.270  -1.372   5.929
  548   1HB   ALA  52          2HB       ALA  52  12.969  -0.203   5.192
  549   2HB   ALA  52          3HB       ALA  52  12.083  -1.372   4.227
  550   3HB   ALA  52          1HB       ALA  52  11.429   0.244   4.467
  551    QB   ALA  52           QB       ALA  52  12.160  -0.444   4.629
  552    H    GLY  53           HN       GLY  53  13.346  -0.962   7.612
  553   1HA   GLY  53          1HA       GLY  53  14.255  -2.651   9.107
  554   2HA   GLY  53          2HA       GLY  53  13.330  -3.879   8.236
  555    QA   GLY  53           QA       GLY  53  13.792  -3.265   8.671
  556    H    LYS  54           HN       LYS  54  13.857  -3.195   5.716
  557    HA   LYS  54           HA       LYS  54  16.727  -3.945   5.394
  558   1HB   LYS  54          2HB       LYS  54  16.028  -4.876   3.230
  559   2HB   LYS  54          3HB       LYS  54  14.932  -5.458   4.458
  560   1HG   LYS  54          2HG       LYS  54  13.165  -4.067   3.756
  561   2HG   LYS  54          3HG       LYS  54  14.241  -2.961   2.909
  562   1HD   LYS  54          2HD       LYS  54  14.800  -4.793   1.293
  563   2HD   LYS  54          3HD       LYS  54  13.661  -5.839   2.121
  564   1HE   LYS  54          2HE       LYS  54  12.664  -4.873   0.091
  565   2HE   LYS  54          3HE       LYS  54  11.808  -4.325   1.524
  566   1HZ   LYS  54          1HZ       LYS  54  13.776  -2.413   1.093
  567   2HZ   LYS  54          2HZ       LYS  54  13.218  -2.841  -0.454
  568   3HZ   LYS  54          3HZ       LYS  54  12.106  -2.266   0.716
  569    QB   LYS  54           QB       LYS  54  15.480  -5.167   3.844
  570    QG   LYS  54           QG       LYS  54  13.703  -3.514   3.333
  571    QD   LYS  54           QD       LYS  54  14.231  -5.316   1.707
  572    QE   LYS  54           QE       LYS  54  12.236  -4.599   0.808
  573    QZ   LYS  54           QZ       LYS  54  13.034  -2.507   0.452
  574    HA   PRO  55           HA       PRO  55  17.667  -0.139   3.191
  575   1HB   PRO  55          2HB       PRO  55  17.712  -1.629   0.585
  576   2HB   PRO  55          3HB       PRO  55  18.898  -0.489   1.243
  577   1HG   PRO  55          2HG       PRO  55  19.375  -3.151   1.322
  578   2HG   PRO  55          3HG       PRO  55  19.861  -2.113   2.669
  579   1HD   PRO  55          2HD       PRO  55  17.538  -4.005   2.481
  580   2HD   PRO  55          3HD       PRO  55  18.509  -3.576   3.905
  581    QB   PRO  55           QB       PRO  55  18.305  -1.059   0.914
  582    QG   PRO  55           QG       PRO  55  19.618  -2.632   1.996
  583    QD   PRO  55           QD       PRO  55  18.024  -3.791   3.193
  584    H    VAL  56           HN       VAL  56  16.561   1.478   1.934
  585    HA   VAL  56           HA       VAL  56  13.721   1.063   1.770
  586    HB   VAL  56           HB       VAL  56  13.786   3.376   0.655
  587   1HG1  VAL  56          1HG1      VAL  56  13.326   2.987   3.066
  588   2HG1  VAL  56          2HG1      VAL  56  15.056   2.962   3.388
  589   3HG1  VAL  56          3HG1      VAL  56  14.284   4.451   2.844
  590   1HG2  VAL  56          3HG2      VAL  56  16.137   3.194  -0.145
  591   2HG2  VAL  56          1HG2      VAL  56  15.890   4.592   0.891
  592   3HG2  VAL  56          2HG2      VAL  56  16.686   3.164   1.529
  593    QG1  VAL  56           QG1      VAL  56  14.222   3.467   3.099
  594    QG2  VAL  56           QG2      VAL  56  16.237   3.650   0.759
  595    QQG  VAL  56           QQG      VAL  56  15.230   3.558   1.929
  596    H    GLU  57           HN       GLU  57  16.281   0.998  -0.600
  597    HA   GLU  57           HA       GLU  57  16.281   0.278  -2.828
  598   1HB   GLU  57          2HB       GLU  57  14.396  -1.281  -1.415
  599   2HB   GLU  57          3HB       GLU  57  13.566  -0.839  -2.886
  600   1HG   GLU  57          2HG       GLU  57  15.202  -1.891  -4.263
  601   2HG   GLU  57          3HG       GLU  57  16.391  -1.935  -2.970
  602    QB   GLU  57           QB       GLU  57  13.981  -1.060  -2.150
  603    QG   GLU  57           QG       GLU  57  15.797  -1.913  -3.616
  604    H    THR  58           HN       THR  58  13.693   0.150  -4.421
  605    HA   THR  58           HA       THR  58  13.588   3.051  -4.992
  606    HB   THR  58           HB       THR  58  12.325   2.180  -7.069
  607    HG1  THR  58          1HG       THR  58  11.675   0.172  -6.818
  608   1HG2  THR  58          2HG2      THR  58  14.980   0.775  -6.487
  609   2HG2  THR  58          3HG2      THR  58  14.295   1.071  -8.081
  610   3HG2  THR  58          1HG2      THR  58  14.859   2.422  -7.102
  611    QG2  THR  58           QG2      THR  58  14.712   1.422  -7.223
  612    H    VAL  59           HN       VAL  59  11.407   3.911  -5.597
  613    HA   VAL  59           HA       VAL  59   9.475   3.081  -3.513
  614    HB   VAL  59           HB       VAL  59   8.357   5.295  -4.724
  615   1HG1  VAL  59          1HG1      VAL  59  10.452   5.245  -2.517
  616   2HG1  VAL  59          2HG1      VAL  59   9.311   6.556  -2.802
  617   3HG1  VAL  59          3HG1      VAL  59   8.727   4.974  -2.300
  618   1HG2  VAL  59          3HG2      VAL  59  10.354   5.544  -6.222
  619   2HG2  VAL  59          1HG2      VAL  59  10.153   6.916  -5.145
  620   3HG2  VAL  59          2HG2      VAL  59  11.373   5.700  -4.798
  621    QG1  VAL  59           QG1      VAL  59   9.497   5.592  -2.539
  622    QG2  VAL  59           QG2      VAL  59  10.626   6.053  -5.388
  623    QQG  VAL  59           QQG      VAL  59  10.062   5.822  -3.964
  624    HA   PRO  60           HA       PRO  60   7.293   3.915  -3.498
  625   1HB   PRO  60          2HB       PRO  60   4.846   2.762  -3.234
  626   2HB   PRO  60          3HB       PRO  60   5.164   3.981  -4.468
  627   1HG   PRO  60          2HG       PRO  60   4.768   1.039  -4.794
  628   2HG   PRO  60          3HG       PRO  60   4.558   2.321  -5.987
  629   1HD   PRO  60          2HD       PRO  60   6.861   0.583  -5.630
  630   2HD   PRO  60          3HD       PRO  60   6.632   1.825  -6.862
  631    QB   PRO  60           QB       PRO  60   5.005   3.372  -3.851
  632    QG   PRO  60           QG       PRO  60   4.663   1.680  -5.390
  633    QD   PRO  60           QD       PRO  60   6.746   1.204  -6.246
  634    H    GLN  61           HN       GLN  61   6.895   3.218  -1.235
  635    HA   GLN  61           HA       GLN  61   7.710   0.368  -0.798
  636   1HB   GLN  61          2HB       GLN  61   9.117   2.423   0.204
  637   2HB   GLN  61          3HB       GLN  61   7.846   2.402   1.416
  638   1HG   GLN  61          2HG       GLN  61   9.646   0.973   2.223
  639   2HG   GLN  61          3HG       GLN  61   8.309  -0.076   1.761
  640   1HE2  GLN  61          1HE2      GLN  61  10.734  -0.118  -1.422
  641   2HE2  GLN  61          2HE2      GLN  61   9.637   1.124  -1.077
  642    QB   GLN  61           QB       GLN  61   8.482   2.412   0.810
  643    QG   GLN  61           QG       GLN  61   8.977   0.448   1.992
  644    QE2  GLN  61           QE2      GLN  61  10.186   0.503  -1.250
  645    H    ILE  62           HN       ILE  62   6.234  -0.893   0.236
  646    HA   ILE  62           HA       ILE  62   3.757   0.506   1.147
  647    HB   ILE  62           HB       ILE  62   4.027  -2.362   0.203
  648   1HG1  ILE  62          2HG1      ILE  62   3.306   0.208  -1.224
  649   2HG1  ILE  62          3HG1      ILE  62   4.453  -1.036  -1.712
  650   1HG2  ILE  62          2HG2      ILE  62   2.157  -1.914   1.776
  651   2HG2  ILE  62          3HG2      ILE  62   1.596  -0.607   0.738
  652   3HG2  ILE  62          1HG2      ILE  62   1.550  -2.276   0.170
  653   1HD1  ILE  62          1HD1      ILE  62   2.507  -2.622  -1.901
  654   2HD1  ILE  62          2HD1      ILE  62   1.425  -1.263  -1.651
  655   3HD1  ILE  62          3HD1      ILE  62   2.471  -1.307  -3.065
  656    QG1  ILE  62           QG1      ILE  62   3.879  -0.414  -1.468
  657    QG2  ILE  62           QG2      ILE  62   1.768  -1.599   0.895
  658    QD1  ILE  62           QD1      ILE  62   2.134  -1.731  -2.206
  659    H    PHE  63           HN       PHE  63   2.977   0.159   3.026
  660    HA   PHE  63           HA       PHE  63   4.244  -1.869   4.831
  661   1HB   PHE  63          2HB       PHE  63   3.621   1.065   5.326
  662   2HB   PHE  63          3HB       PHE  63   3.836  -0.073   6.655
  663    HD1  PHE  63          1HD       PHE  63   6.026  -1.131   7.046
  664    HD2  PHE  63          2HD       PHE  63   5.538   1.662   3.871
  665    HE1  PHE  63          1HE       PHE  63   8.448  -1.003   6.771
  666    HE2  PHE  63          2HE       PHE  63   7.971   1.799   3.617
  667    HZ   PHE  63           HZ       PHE  63   9.429   0.473   5.069
  668    QB   PHE  63           QB       PHE  63   3.729   0.496   5.991
  669    QR   PHE  63           QR       PHE  63   6.996   0.332   5.326
  670    H    VAL  64           HN       VAL  64   2.809  -2.981   6.055
  671    HA   VAL  64           HA       VAL  64  -0.088  -2.272   5.798
  672    HB   VAL  64           HB       VAL  64   1.138  -5.054   5.965
  673   1HG1  VAL  64          3HG1      VAL  64  -1.711  -4.135   5.404
  674   2HG1  VAL  64          1HG1      VAL  64  -1.152  -5.804   5.338
  675   3HG1  VAL  64          2HG1      VAL  64  -1.156  -4.946   6.869
  676   1HG2  VAL  64          1HG2      VAL  64  -0.018  -3.545   3.586
  677   2HG2  VAL  64          2HG2      VAL  64   1.676  -3.968   3.818
  678   3HG2  VAL  64          3HG2      VAL  64   0.479  -5.234   3.566
  679    QG1  VAL  64           QG1      VAL  64  -1.340  -4.962   5.870
  680    QG2  VAL  64           QG2      VAL  64   0.712  -4.249   3.657
  681    QQG  VAL  64           QQG      VAL  64  -0.314  -4.605   4.764
  682    H    ASP  65           HN       ASP  65  -0.621  -1.489   7.755
  683    HA   ASP  65           HA       ASP  65  -0.967  -1.383  10.051
  684   1HB   ASP  65          2HB       ASP  65  -1.219  -4.103   9.353
  685   2HB   ASP  65          3HB       ASP  65  -0.128  -4.127  10.716
  686    QB   ASP  65           QB       ASP  65  -0.673  -4.115  10.035
  687    H    GLN  66           HN       GLN  66   1.461  -3.804  10.161
  688    HA   GLN  66           HA       GLN  66   3.513  -1.873  11.074
  689   1HB   GLN  66          2HB       GLN  66   2.623  -4.382  12.540
  690   2HB   GLN  66          3HB       GLN  66   4.151  -3.598  12.877
  691   1HG   GLN  66          2HG       GLN  66   1.560  -2.035  12.972
  692   2HG   GLN  66          3HG       GLN  66   2.086  -2.985  14.351
  693   1HE2  GLN  66          2HE2      GLN  66   5.108  -0.449  13.669
  694   2HE2  GLN  66          1HE2      GLN  66   4.822  -1.794  12.679
  695    QB   GLN  66           QB       GLN  66   3.387  -3.990  12.708
  696    QG   GLN  66           QG       GLN  66   1.823  -2.510  13.661
  697    QE2  GLN  66           QE2      GLN  66   4.965  -1.121  13.174
  698    H    GLN  67           HN       GLN  67   2.666  -4.466   9.155
  699    HA   GLN  67           HA       GLN  67   5.264  -5.794   9.046
  700   1HB   GLN  67          2HB       GLN  67   3.148  -7.060   8.941
  701   2HB   GLN  67          3HB       GLN  67   2.597  -6.078   7.590
  702   1HG   GLN  67          2HG       GLN  67   4.550  -6.938   6.268
  703   2HG   GLN  67          3HG       GLN  67   4.886  -8.048   7.598
  704   1HE2  GLN  67          2HE2      GLN  67   2.118 -10.169   6.827
  705   2HE2  GLN  67          1HE2      GLN  67   3.330  -9.813   7.958
  706    QB   GLN  67           QB       GLN  67   2.873  -6.569   8.266
  707    QG   GLN  67           QG       GLN  67   4.718  -7.493   6.933
  708    QE2  GLN  67           QE2      GLN  67   2.724  -9.991   7.392
  709    H    HIS  68           HN       HIS  68   6.616  -5.683   7.219
  710    HA   HIS  68           HA       HIS  68   6.098  -3.348   5.420
  711   1HB   HIS  68          2HB       HIS  68   8.197  -3.240   6.721
  712   2HB   HIS  68          3HB       HIS  68   8.672  -4.799   6.101
  713    HD1  HIS  68           HD1      HIS  68  10.703  -3.817   4.988
  714    HD2  HIS  68           HD2      HIS  68   7.256  -2.049   3.601
  715    HE1  HIS  68           HE1      HIS  68  11.280  -2.732   2.782
  716    QB   HIS  68           QB       HIS  68   8.434  -4.019   6.411
  717    H    ILE  69           HN       ILE  69   5.894  -3.775   3.206
  718    HA   ILE  69           HA       ILE  69   6.027  -6.690   2.489
  719    HB   ILE  69           HB       ILE  69   4.773  -4.514   0.795
  720   1HG1  ILE  69          2HG1      ILE  69   3.700  -4.237   2.955
  721   2HG1  ILE  69          3HG1      ILE  69   2.590  -5.093   1.898
  722   1HG2  ILE  69          1HG2      ILE  69   4.223  -7.492   1.100
  723   2HG2  ILE  69          2HG2      ILE  69   3.380  -6.411   0.002
  724   3HG2  ILE  69          3HG2      ILE  69   5.090  -6.740  -0.230
  725   1HD1  ILE  69          2HD1      ILE  69   4.366  -6.420   3.977
  726   2HD1  ILE  69          3HD1      ILE  69   2.642  -6.127   4.143
  727   3HD1  ILE  69          1HD1      ILE  69   3.230  -7.239   2.923
  728    QG1  ILE  69           QG1      ILE  69   3.145  -4.665   2.426
  729    QG2  ILE  69           QG2      ILE  69   4.231  -6.881   0.291
  730    QD1  ILE  69           QD1      ILE  69   3.413  -6.595   3.681
  731    H    GLY  70           HN       GLY  70   6.974  -3.503   1.461
  732   1HA   GLY  70          1HA       GLY  70   9.375  -3.416   0.563
  733   2HA   GLY  70          2HA       GLY  70   8.881  -4.710  -0.526
  734    QA   GLY  70           QA       GLY  70   9.128  -4.063   0.018
  735    H    GLY  71           HN       GLY  71   8.118  -4.009  -2.536
  736   1HA   GLY  71          1HA       GLY  71   6.926  -1.268  -2.564
  737   2HA   GLY  71          2HA       GLY  71   8.110  -1.737  -3.772
  738    QA   GLY  71           QA       GLY  71   7.518  -1.502  -3.168
  739    OH   TYR  72           OH       TYR  72   0.015  -3.027 -10.175
  740    H    TYR  72           HN       TYR  72   6.240  -1.061  -5.128
  741    HA   TYR  72           HA       TYR  72   3.866  -2.665  -5.315
  742   1HB   TYR  72          2HB       TYR  72   4.176  -0.427  -6.475
  743   2HB   TYR  72          3HB       TYR  72   5.291  -1.206  -7.590
  744    HD1  TYR  72           HD2      TYR  72   1.912  -2.055  -6.165
  745    HD2  TYR  72           HD1      TYR  72   4.306  -1.665  -9.654
  746    HE1  TYR  72           HE2      TYR  72   0.016  -2.798  -7.545
  747    HE2  TYR  72           HE1      TYR  72   2.431  -2.420 -11.036
  748    HH   TYR  72           HH       TYR  72   0.229  -3.876 -10.581
  749    QB   TYR  72           QB       TYR  72   4.734  -0.817  -7.032
  750    QR   TYR  72           QR       TYR  72   2.166  -2.234  -8.600
  751    H    THR  73           HN       THR  73   3.642  -4.024  -7.541
  752    HA   THR  73           HA       THR  73   4.391  -5.891  -8.773
  753    HB   THR  73           HB       THR  73   7.206  -5.765  -7.715
  754    HG1  THR  73          1HG       THR  73   7.116  -3.662  -8.092
  755   1HG2  THR  73          1HG2      THR  73   6.043  -5.868 -10.528
  756   2HG2  THR  73          2HG2      THR  73   7.737  -6.100 -10.105
  757   3HG2  THR  73          3HG2      THR  73   6.535  -7.289  -9.609
  758    QG2  THR  73           QG2      THR  73   6.772  -6.419 -10.080
  759    H    ASP  74           HN       ASP  74   6.352  -5.820  -5.763
  760    HA   ASP  74           HA       ASP  74   5.841  -8.622  -5.209
  761   1HB   ASP  74          2HB       ASP  74   6.341  -6.813  -2.890
  762   2HB   ASP  74          3HB       ASP  74   7.128  -8.326  -3.312
  763    QB   ASP  74           QB       ASP  74   6.735  -7.569  -3.101
  764    H    PHE  75           HN       PHE  75   4.533  -5.581  -4.075
  765    HA   PHE  75           HA       PHE  75   2.681  -6.248  -2.204
  766   1HB   PHE  75          2HB       PHE  75   2.963  -3.982  -3.133
  767   2HB   PHE  75          3HB       PHE  75   2.224  -4.483  -4.638
  768    HD1  PHE  75          2HD       PHE  75   1.095  -5.233  -1.129
  769    HD2  PHE  75          1HD       PHE  75   0.248  -3.210  -4.784
  770    HE1  PHE  75          2HE       PHE  75  -1.137  -4.651  -0.297
  771    HE2  PHE  75          1HE       PHE  75  -1.953  -2.564  -3.908
  772    HZ   PHE  75           HZ       PHE  75  -2.659  -3.308  -1.687
  773    QB   PHE  75           QB       PHE  75   2.594  -4.233  -3.885
  774    QR   PHE  75           QR       PHE  75  -0.436  -3.915  -2.529
  775    H    ALA  76           HN       ALA  76   2.125  -6.648  -5.728
  776    HA   ALA  76           HA       ALA  76  -0.510  -7.723  -5.537
  777   1HB   ALA  76          2HB       ALA  76   0.547  -7.078  -7.694
  778   2HB   ALA  76          3HB       ALA  76   1.664  -8.428  -7.540
  779   3HB   ALA  76          1HB       ALA  76  -0.057  -8.732  -7.751
  780    QB   ALA  76           QB       ALA  76   0.718  -8.079  -7.662
  781    H    ALA  77           HN       ALA  77   2.649  -9.343  -5.582
  782    HA   ALA  77           HA       ALA  77   1.630 -12.006  -5.275
  783   1HB   ALA  77          3HB       ALA  77   4.256 -10.844  -4.244
  784   2HB   ALA  77          1HB       ALA  77   3.901 -12.560  -4.418
  785   3HB   ALA  77          2HB       ALA  77   4.001 -11.533  -5.843
  786    QB   ALA  77           QB       ALA  77   4.053 -11.646  -4.835
  787    CH2  TRP  78           CH2      TRP  78  -1.471  -6.988   2.739
  788    H    TRP  78           HN       TRP  78   2.834  -9.740  -2.793
  789    HA   TRP  78           HA       TRP  78   2.261 -11.294  -0.487
  790   1HB   TRP  78          2HB       TRP  78   3.384  -9.160  -0.277
  791   2HB   TRP  78          3HB       TRP  78   2.015  -8.314  -0.918
  792    HD1  TRP  78           HD1      TRP  78   3.110 -10.098   2.374
  793    HE1  TRP  78           HE1      TRP  78   1.642  -9.297   4.247
  794    HE3  TRP  78           HE3      TRP  78  -0.087  -7.409  -0.334
  795    HZ2  TRP  78           HZ2      TRP  78  -0.704  -7.771   4.575
  796    HZ3  TRP  78           HZ3      TRP  78  -2.016  -6.324   0.787
  797    HH2  TRP  78           HH2      TRP  78  -2.315  -6.504   3.213
  798    QB   TRP  78           QB       TRP  78   2.700  -8.737  -0.597
  799    H    VAL  79           HN       VAL  79   0.136  -8.954  -2.080
  800    HA   VAL  79           HA       VAL  79  -2.153  -9.171  -0.525
  801    HB   VAL  79           HB       VAL  79  -1.844  -8.917  -3.542
  802   1HG1  VAL  79          1HG1      VAL  79  -4.397  -8.656  -1.911
  803   2HG1  VAL  79          2HG1      VAL  79  -4.236  -8.244  -3.613
  804   3HG1  VAL  79          3HG1      VAL  79  -4.073  -9.914  -3.096
  805   1HG2  VAL  79          1HG2      VAL  79  -2.606  -6.972  -1.330
  806   2HG2  VAL  79          2HG2      VAL  79  -1.072  -7.007  -2.185
  807   3HG2  VAL  79          3HG2      VAL  79  -2.543  -6.566  -3.038
  808    QG1  VAL  79           QG1      VAL  79  -4.235  -8.938  -2.873
  809    QG2  VAL  79           QG2      VAL  79  -2.074  -6.848  -2.184
  810    QQG  VAL  79           QQG      VAL  79  -3.154  -7.893  -2.529
  811    H    LYS  80           HN       LYS  80  -1.387 -11.209  -3.332
  812    HA   LYS  80           HA       LYS  80  -3.506 -12.970  -3.266
  813   1HB   LYS  80          2HB       LYS  80  -1.599 -12.982  -4.924
  814   2HB   LYS  80          3HB       LYS  80  -0.666 -13.905  -3.752
  815   1HG   LYS  80          2HG       LYS  80  -3.428 -14.892  -4.392
  816   2HG   LYS  80          3HG       LYS  80  -2.211 -15.080  -5.639
  817   1HD   LYS  80          2HD       LYS  80  -0.900 -16.539  -4.357
  818   2HD   LYS  80          3HD       LYS  80  -1.557 -15.996  -2.833
  819   1HE   LYS  80          2HE       LYS  80  -3.095 -17.600  -4.924
  820   2HE   LYS  80          3HE       LYS  80  -2.359 -18.282  -3.485
  821   1HZ   LYS  80          3HZ       LYS  80  -4.001 -16.166  -2.658
  822   2HZ   LYS  80          1HZ       LYS  80  -4.909 -17.136  -3.736
  823   3HZ   LYS  80          2HZ       LYS  80  -4.199 -17.805  -2.344
  824    QB   LYS  80           QB       LYS  80  -1.132 -13.443  -4.338
  825    QG   LYS  80           QG       LYS  80  -2.819 -14.986  -5.016
  826    QD   LYS  80           QD       LYS  80  -1.229 -16.267  -3.595
  827    QE   LYS  80           QE       LYS  80  -2.727 -17.941  -4.204
  828    QZ   LYS  80           QZ       LYS  80  -4.369 -17.036  -2.913
  829    H    GLU  81           HN       GLU  81  -1.014 -12.971  -0.746
  830    HA   GLU  81           HA       GLU  81  -2.375 -15.469   0.231
  831   1HB   GLU  81          2HB       GLU  81  -0.146 -15.886   1.490
  832   2HB   GLU  81          3HB       GLU  81  -0.173 -16.183  -0.238
  833   1HG   GLU  81          2HG       GLU  81   1.281 -14.480  -0.693
  834   2HG   GLU  81          3HG       GLU  81   0.594 -13.427   0.532
  835    QB   GLU  81           QB       GLU  81  -0.159 -16.034   0.626
  836    QG   GLU  81           QG       GLU  81   0.937 -13.953  -0.080
  837    H    ASN  82           HN       ASN  82  -2.320 -12.344   0.832
  838    HA   ASN  82           HA       ASN  82  -2.562 -12.735   3.800
  839   1HB   ASN  82          2HB       ASN  82  -1.618 -10.301   2.242
  840   2HB   ASN  82          3HB       ASN  82  -1.998 -10.270   3.964
  841   1HD2  ASN  82          2HD2      ASN  82   1.229 -12.486   2.690
  842   2HD2  ASN  82          1HD2      ASN  82   0.006 -12.053   1.594
  843    QB   ASN  82           QB       ASN  82  -1.808 -10.286   3.103
  844    QD2  ASN  82           QD2      ASN  82   0.618 -12.269   2.142
  845    H    LEU  83           HN       LEU  83  -3.949 -11.542   0.875
  846    HA   LEU  83           HA       LEU  83  -6.458 -10.924   2.359
  847   1HB   LEU  83          2HB       LEU  83  -5.268  -9.340   0.076
  848   2HB   LEU  83          3HB       LEU  83  -6.811  -8.996   0.855
  849    HG   LEU  83           HG       LEU  83  -4.125  -9.026   2.297
  850   1HD1  LEU  83          1HD1      LEU  83  -5.840  -6.706   1.371
  851   2HD1  LEU  83          2HD1      LEU  83  -4.405  -6.572   2.386
  852   3HD1  LEU  83          3HD1      LEU  83  -4.257  -7.151   0.732
  853   1HD2  LEU  83          3HD2      LEU  83  -6.098  -9.532   3.748
  854   2HD2  LEU  83          1HD2      LEU  83  -5.398  -7.974   4.137
  855   3HD2  LEU  83          2HD2      LEU  83  -6.875  -8.056   3.192
  856    QB   LEU  83           QB       LEU  83  -6.039  -9.168   0.465
  857    QD1  LEU  83           QD1      LEU  83  -4.834  -6.810   1.496
  858    QD2  LEU  83           QD2      LEU  83  -6.124  -8.521   3.693
  859    QQD  LEU  83           QQD      LEU  83  -5.479  -7.665   2.594
  860    H    ASP  84           HN       ASP  84  -5.512 -13.264   0.781
  861    HA   ASP  84           HA       ASP  84  -7.340 -13.165  -1.538
  862   1HB   ASP  84          2HB       ASP  84  -6.391 -15.408  -2.089
  863   2HB   ASP  84          3HB       ASP  84  -5.165 -14.174  -1.954
  864    QB   ASP  84           QB       ASP  84  -5.778 -14.791  -2.021
  865    H    ALA  85           HN       ALA  85  -8.253 -13.025   1.133
  866    HA   ALA  85           HA       ALA  85 -10.187 -15.275   1.165
  867   1HB   ALA  85          1HB       ALA  85  -8.446 -15.736   2.892
  868   2HB   ALA  85          2HB       ALA  85  -8.750 -14.149   3.599
  869   3HB   ALA  85          3HB       ALA  85 -10.005 -15.382   3.632
  870    QB   ALA  85           QB       ALA  85  -9.067 -15.089   3.374
   
  Start of MODEL           8
 Raw file had 870 H/Q atoms
  Start of MODEL    8
    1    H    MET   1           HN       MET   1  -6.528  -2.846   7.919
    2    HA   MET   1           HA       MET   1  -3.802  -3.606   7.992
    3   1HB   MET   1          2HB       MET   1  -5.555  -5.150   6.058
    4   2HB   MET   1          3HB       MET   1  -3.812  -5.001   5.885
    5   1HG   MET   1          2HG       MET   1  -3.472  -6.052   8.067
    6   2HG   MET   1          3HG       MET   1  -5.193  -6.108   8.344
    7   1HE   MET   1          3HE       MET   1  -2.132  -7.435   6.743
    8   2HE   MET   1          1HE       MET   1  -2.596  -8.896   5.877
    9   3HE   MET   1          2HE       MET   1  -2.928  -7.319   5.167
   10    QB   MET   1           QB       MET   1  -4.684  -5.076   5.972
   11    QG   MET   1           QG       MET   1  -4.333  -6.080   8.206
   12    QE   MET   1           QE       MET   1  -2.552  -7.883   5.929
   13    H    GLN   2           HN       GLN   2  -3.901  -1.216   7.667
   14    HA   GLN   2           HA       GLN   2  -5.041  -0.287   5.166
   15   1HB   GLN   2          2HB       GLN   2  -5.215   1.202   7.060
   16   2HB   GLN   2          3HB       GLN   2  -3.496   1.047   7.413
   17   1HG   GLN   2          2HG       GLN   2  -2.903   2.196   5.363
   18   2HG   GLN   2          3HG       GLN   2  -4.584   2.221   4.852
   19   1HE2  GLN   2          2HE2      GLN   2  -5.218   4.626   7.708
   20   2HE2  GLN   2          1HE2      GLN   2  -5.706   3.017   7.477
   21    QB   GLN   2           QB       GLN   2  -4.356   1.125   7.236
   22    QG   GLN   2           QG       GLN   2  -3.744   2.208   5.108
   23    QE2  GLN   2           QE2      GLN   2  -5.462   3.822   7.593
   24    H    THR   3           HN       THR   3  -3.857   0.408   3.371
   25    HA   THR   3           HA       THR   3  -1.072  -0.640   3.269
   26    HB   THR   3           HB       THR   3  -2.760   0.461   0.970
   27    HG1  THR   3          1HG       THR   3  -3.455  -1.443   2.412
   28   1HG2  THR   3          1HG2      THR   3  -0.253   0.101   0.577
   29   2HG2  THR   3          2HG2      THR   3  -0.479  -1.572   1.067
   30   3HG2  THR   3          3HG2      THR   3  -1.265  -0.971  -0.386
   31    QG2  THR   3           QG2      THR   3  -0.666  -0.814   0.419
   32    H    VAL   4           HN       VAL   4   0.636   0.735   3.092
   33    HA   VAL   4           HA       VAL   4   0.010   3.651   2.845
   34    HB   VAL   4           HB       VAL   4   2.226   2.535   4.592
   35   1HG1  VAL   4          1HG1      VAL   4   0.801   5.216   4.483
   36   2HG1  VAL   4          2HG1      VAL   4   2.112   4.801   5.584
   37   3HG1  VAL   4          3HG1      VAL   4   2.409   4.881   3.851
   38   1HG2  VAL   4          1HG2      VAL   4  -0.572   3.341   5.485
   39   2HG2  VAL   4          2HG2      VAL   4   0.071   1.700   5.508
   40   3HG2  VAL   4          3HG2      VAL   4   0.766   2.934   6.555
   41    QG1  VAL   4           QG1      VAL   4   1.774   4.966   4.639
   42    QG2  VAL   4           QG2      VAL   4   0.089   2.658   5.849
   43    QQG  VAL   4           QQG      VAL   4   0.931   3.812   5.244
   44    H    ILE   5           HN       ILE   5   0.984   4.423   1.125
   45    HA   ILE   5           HA       ILE   5   3.416   3.018   0.073
   46    HB   ILE   5           HB       ILE   5   1.486   4.933  -1.325
   47   1HG1  ILE   5          2HG1      ILE   5   0.874   3.023  -2.731
   48   2HG1  ILE   5          3HG1      ILE   5   1.959   1.975  -1.837
   49   1HG2  ILE   5          2HG2      ILE   5   3.894   3.414  -2.403
   50   2HG2  ILE   5          3HG2      ILE   5   2.774   4.366  -3.374
   51   3HG2  ILE   5          1HG2      ILE   5   3.792   5.160  -2.182
   52   1HD1  ILE   5          1HD1      ILE   5  -0.440   3.394  -0.616
   53   2HD1  ILE   5          2HD1      ILE   5  -0.450   1.727  -1.178
   54   3HD1  ILE   5          3HD1      ILE   5   0.575   2.184   0.164
   55    QG1  ILE   5           QG1      ILE   5   1.416   2.499  -2.284
   56    QG2  ILE   5           QG2      ILE   5   3.486   4.313  -2.653
   57    QD1  ILE   5           QD1      ILE   5  -0.105   2.435  -0.544
   58    H    PHE   6           HN       PHE   6   5.291   4.074   0.371
   59    HA   PHE   6           HA       PHE   6   5.197   7.000   1.026
   60   1HB   PHE   6          2HB       PHE   6   6.693   4.700   2.260
   61   2HB   PHE   6          3HB       PHE   6   7.536   6.234   2.139
   62    HD1  PHE   6          2HD       PHE   6   3.890   6.350   2.614
   63    HD2  PHE   6          1HD       PHE   6   7.644   6.302   4.622
   64    HE1  PHE   6          2HE       PHE   6   2.805   7.125   4.666
   65    HE2  PHE   6          1HE       PHE   6   6.545   7.068   6.676
   66    HZ   PHE   6           HZ       PHE   6   4.129   7.491   6.702
   67    QB   PHE   6           QB       PHE   6   7.114   5.467   2.199
   68    QR   PHE   6           QR       PHE   6   5.221   6.712   4.645
   69    H    GLY   7           HN       GLY   7   5.991   8.084  -0.642
   70   1HA   GLY   7          1HA       GLY   7   8.433   8.416  -1.605
   71   2HA   GLY   7          2HA       GLY   7   8.137   6.832  -2.293
   72    QA   GLY   7           QA       GLY   7   8.285   7.624  -1.949
   73    NH1  ARG   8           NH2      ARG   8   7.649  15.164  -4.889
   74    NH2  ARG   8           NH1      ARG   8   9.004  15.782  -6.630
   75    H    ARG   8           HN       ARG   8   8.686   9.068  -3.836
   76    HA   ARG   8           HA       ARG   8   6.045   9.639  -5.113
   77   1HB   ARG   8          2HB       ARG   8   7.201  11.684  -6.057
   78   2HB   ARG   8          3HB       ARG   8   7.018  11.706  -4.314
   79   1HG   ARG   8          2HG       ARG   8   9.369  10.865  -4.082
   80   2HG   ARG   8          3HG       ARG   8   9.553  10.949  -5.828
   81   1HD   ARG   8          2HD       ARG   8   9.050  13.264  -3.913
   82   2HD   ARG   8          3HD       ARG   8  10.508  12.963  -4.856
   83    HE   ARG   8           HE       ARG   8   8.730  13.195  -6.860
   84   1HH1  ARG   8          2HH2      ARG   8   7.287  14.420  -4.306
   85   2HH1  ARG   8          1HH2      ARG   8   7.346  16.100  -4.722
   86   1HH2  ARG   8          2HH1      ARG   8   9.656  15.508  -7.338
   87   2HH2  ARG   8          1HH1      ARG   8   8.748  16.743  -6.540
   88    QB   ARG   8           QB       ARG   8   7.110  11.695  -5.185
   89    QG   ARG   8           QG       ARG   8   9.461  10.907  -4.955
   90    QD   ARG   8           QD       ARG   8   9.779  13.113  -4.385
   91    QH1  ARG   8           QH2      ARG   8   7.316  15.260  -4.514
   92    QH2  ARG   8           QH1      ARG   8   9.202  16.125  -6.939
   93    H    SER   9           HN       SER   9   5.830   9.088  -7.260
   94    HA   SER   9           HA       SER   9   8.164   7.646  -8.453
   95   1HB   SER   9          2HB       SER   9   6.361   6.807 -10.106
   96   2HB   SER   9          3HB       SER   9   6.184   6.241  -8.440
   97    HG   SER   9           HG       SER   9   4.445   7.695  -9.855
   98    QB   SER   9           QB       SER   9   6.272   6.524  -9.273
   99    H    GLY  10           HN       GLY  10   5.461   9.506  -9.681
  100   1HA   GLY  10          1HA       GLY  10   6.011  11.743 -10.806
  101   2HA   GLY  10          2HA       GLY  10   7.317  10.863 -11.619
  102    QA   GLY  10           QA       GLY  10   6.664  11.303 -11.212
  103    H    CYS  11           HN       CYS  11   6.212   8.518 -12.153
  104    HA   CYS  11           HA       CYS  11   4.177   9.160 -14.211
  105   1HB   CYS  11          2HB       CYS  11   5.682   6.576 -13.661
  106   2HB   CYS  11          3HB       CYS  11   4.720   6.913 -15.072
  107    HG   CYS  11           HG       CYS  11   6.608   8.155 -16.111
  108    QB   CYS  11           QB       CYS  11   5.201   6.744 -14.366
  109    HA   PRO  12           HA       PRO  12   0.924   6.894 -11.984
  110   1HB   PRO  12          2HB       PRO  12   0.096   5.230 -14.113
  111   2HB   PRO  12          3HB       PRO  12  -0.564   6.817 -13.713
  112   1HG   PRO  12          2HG       PRO  12   1.422   6.065 -15.830
  113   2HG   PRO  12          3HG       PRO  12   0.225   7.367 -15.835
  114   1HD   PRO  12          2HD       PRO  12   2.907   7.808 -15.426
  115   2HD   PRO  12          3HD       PRO  12   1.652   8.849 -14.725
  116    QB   PRO  12           QB       PRO  12  -0.234   6.024 -13.913
  117    QG   PRO  12           QG       PRO  12   0.823   6.716 -15.832
  118    QD   PRO  12           QD       PRO  12   2.279   8.329 -15.075
  119    OH   TYR  13           OH       TYR  13   7.370   3.384 -16.061
  120    H    TYR  13           HN       TYR  13   3.039   5.980 -11.010
  121    HA   TYR  13           HA       TYR  13   3.182   3.033 -11.514
  122   1HB   TYR  13          2HB       TYR  13   5.254   5.010 -10.512
  123   2HB   TYR  13          3HB       TYR  13   5.436   3.282 -10.264
  124    HD1  TYR  13           HD1      TYR  13   3.793   3.364 -13.324
  125    HD2  TYR  13           HD2      TYR  13   7.582   4.378 -11.653
  126    HE1  TYR  13           HE1      TYR  13   4.826   3.105 -15.508
  127    HE2  TYR  13           HE2      TYR  13   8.607   4.102 -13.861
  128    HH   TYR  13           HH       TYR  13   7.828   2.539 -16.041
  129    QB   TYR  13           QB       TYR  13   5.345   4.146 -10.388
  130    QR   TYR  13           QR       TYR  13   6.202   3.737 -13.587
  131    H    CYS  14           HN       CYS  14   3.844   5.298  -8.799
  132    HA   CYS  14           HA       CYS  14   3.311   3.437  -6.718
  133   1HB   CYS  14          2HB       CYS  14   2.494   6.345  -6.560
  134   2HB   CYS  14          3HB       CYS  14   3.020   5.313  -5.261
  135    HG   CYS  14           HG       CYS  14   4.872   6.814  -7.201
  136    QB   CYS  14           QB       CYS  14   2.757   5.829  -5.911
  137    H    VAL  15           HN       VAL  15   1.289   5.402  -8.653
  138    HA   VAL  15           HA       VAL  15  -1.191   5.381  -7.482
  139    HB   VAL  15           HB       VAL  15  -0.670   4.807 -10.426
  140   1HG1  VAL  15          3HG1      VAL  15  -3.046   4.618  -9.696
  141   2HG1  VAL  15          1HG1      VAL  15  -2.956   6.237  -9.017
  142   3HG1  VAL  15          2HG1      VAL  15  -2.805   6.000 -10.755
  143   1HG2  VAL  15          2HG2      VAL  15  -0.797   7.455  -8.922
  144   2HG2  VAL  15          3HG2      VAL  15   0.646   6.775  -9.661
  145   3HG2  VAL  15          1HG2      VAL  15  -0.698   7.295 -10.668
  146    QG1  VAL  15           QG1      VAL  15  -2.935   5.618  -9.822
  147    QG2  VAL  15           QG2      VAL  15  -0.283   7.175  -9.750
  148    QQG  VAL  15           QQG      VAL  15  -1.609   6.397  -9.786
  149    NH1  ARG  16           NH1      ARG  16  -4.217   0.589 -11.478
  150    NH2  ARG  16           NH2      ARG  16  -3.514  -0.785 -13.157
  151    H    ARG  16           HN       ARG  16   0.201   2.685  -9.370
  152    HA   ARG  16           HA       ARG  16  -2.062   0.981  -9.399
  153   1HB   ARG  16          2HB       ARG  16   0.846   0.149  -9.042
  154   2HB   ARG  16          3HB       ARG  16  -0.448  -0.892  -9.603
  155   1HG   ARG  16          2HG       ARG  16   0.785   1.498 -11.014
  156   2HG   ARG  16          3HG       ARG  16   0.697  -0.162 -11.585
  157   1HD   ARG  16          2HD       ARG  16  -1.561   1.857 -11.372
  158   2HD   ARG  16          3HD       ARG  16  -0.981   1.025 -12.810
  159    HE   ARG  16           HE       ARG  16  -1.893  -0.944 -10.919
  160   1HH1  ARG  16          2HH1      ARG  16  -3.990   1.106 -10.644
  161   2HH1  ARG  16          1HH1      ARG  16  -5.137   0.653 -11.855
  162   1HH2  ARG  16          2HH2      ARG  16  -2.768  -1.308 -13.571
  163   2HH2  ARG  16          1HH2      ARG  16  -4.409  -0.763 -13.605
  164    QB   ARG  16           QB       ARG  16   0.199  -0.371  -9.322
  165    QG   ARG  16           QG       ARG  16   0.741   0.668 -11.300
  166    QD   ARG  16           QD       ARG  16  -1.271   1.441 -12.091
  167    QH1  ARG  16           QH1      ARG  16  -4.563   0.879 -11.250
  168    QH2  ARG  16           QH2      ARG  16  -3.588  -1.036 -13.588
  169    H    ALA  17           HN       ALA  17   0.457   1.228  -6.914
  170    HA   ALA  17           HA       ALA  17  -0.493  -0.722  -5.115
  171   1HB   ALA  17          1HB       ALA  17   0.609   2.035  -4.441
  172   2HB   ALA  17          2HB       ALA  17   0.502   0.688  -3.312
  173   3HB   ALA  17          3HB       ALA  17   1.573   0.590  -4.706
  174    QB   ALA  17           QB       ALA  17   0.895   1.104  -4.153
  175    H    LYS  18           HN       LYS  18  -1.347   2.689  -5.341
  176    HA   LYS  18           HA       LYS  18  -3.421   2.755  -3.402
  177   1HB   LYS  18          2HB       LYS  18  -2.879   4.891  -4.139
  178   2HB   LYS  18          3HB       LYS  18  -2.727   4.393  -5.808
  179   1HG   LYS  18          2HG       LYS  18  -5.489   4.256  -4.668
  180   2HG   LYS  18          3HG       LYS  18  -4.818   5.860  -4.891
  181   1HD   LYS  18          2HD       LYS  18  -4.434   5.497  -7.241
  182   2HD   LYS  18          3HD       LYS  18  -4.768   3.787  -7.112
  183   1HE   LYS  18          2HE       LYS  18  -6.786   6.011  -6.637
  184   2HE   LYS  18          3HE       LYS  18  -6.697   4.998  -8.077
  185   1HZ   LYS  18          1HZ       LYS  18  -6.766   3.253  -5.946
  186   2HZ   LYS  18          2HZ       LYS  18  -7.910   4.448  -5.576
  187   3HZ   LYS  18          3HZ       LYS  18  -8.043   3.584  -7.027
  188    QB   LYS  18           QB       LYS  18  -2.803   4.642  -4.973
  189    QG   LYS  18           QG       LYS  18  -5.153   5.058  -4.779
  190    QD   LYS  18           QD       LYS  18  -4.601   4.642  -7.176
  191    QE   LYS  18           QE       LYS  18  -6.741   5.504  -7.357
  192    QZ   LYS  18           QZ       LYS  18  -7.573   3.762  -6.183
  193    H    ASP  19           HN       ASP  19  -3.650   2.020  -6.853
  194    HA   ASP  19           HA       ASP  19  -6.471   1.602  -6.944
  195   1HB   ASP  19          2HB       ASP  19  -4.210   0.462  -8.597
  196   2HB   ASP  19          3HB       ASP  19  -5.897   0.196  -8.995
  197    QB   ASP  19           QB       ASP  19  -5.053   0.329  -8.796
  198    H    LEU  20           HN       LEU  20  -3.928  -0.833  -6.711
  199    HA   LEU  20           HA       LEU  20  -5.663  -3.069  -6.368
  200   1HB   LEU  20          2HB       LEU  20  -3.347  -3.464  -6.910
  201   2HB   LEU  20          3HB       LEU  20  -2.796  -2.567  -5.508
  202    HG   LEU  20           HG       LEU  20  -3.619  -4.293  -3.998
  203   1HD1  LEU  20          3HD1      LEU  20  -4.664  -5.674  -6.502
  204   2HD1  LEU  20          1HD1      LEU  20  -4.673  -6.362  -4.884
  205   3HD1  LEU  20          2HD1      LEU  20  -5.661  -4.957  -5.240
  206   1HD2  LEU  20          3HD2      LEU  20  -2.153  -5.501  -6.372
  207   2HD2  LEU  20          1HD2      LEU  20  -1.398  -4.663  -5.025
  208   3HD2  LEU  20          2HD2      LEU  20  -2.212  -6.198  -4.757
  209    QB   LEU  20           QB       LEU  20  -3.071  -3.016  -6.209
  210    QD1  LEU  20           QD1      LEU  20  -4.999  -5.664  -5.542
  211    QD2  LEU  20           QD2      LEU  20  -1.921  -5.454  -5.385
  212    QQD  LEU  20           QQD      LEU  20  -3.460  -5.559  -5.463
  213    H    ALA  21           HN       ALA  21  -3.944  -1.087  -3.989
  214    HA   ALA  21           HA       ALA  21  -4.974  -2.348  -1.659
  215   1HB   ALA  21          1HB       ALA  21  -3.092  -0.703  -1.657
  216   2HB   ALA  21          2HB       ALA  21  -4.226   0.576  -2.070
  217   3HB   ALA  21          3HB       ALA  21  -4.348  -0.242  -0.518
  218    QB   ALA  21           QB       ALA  21  -3.889  -0.123  -1.415
  219    H    GLU  22           HN       GLU  22  -6.166   0.352  -3.609
  220    HA   GLU  22           HA       GLU  22  -8.418   1.015  -2.013
  221   1HB   GLU  22          2HB       GLU  22  -7.580   2.350  -3.939
  222   2HB   GLU  22          3HB       GLU  22  -8.202   1.126  -5.034
  223   1HG   GLU  22          2HG       GLU  22 -10.479   1.552  -4.292
  224   2HG   GLU  22          3HG       GLU  22  -9.900   2.657  -3.042
  225    QB   GLU  22           QB       GLU  22  -7.891   1.738  -4.487
  226    QG   GLU  22           QG       GLU  22 -10.189   2.104  -3.667
  227    H    LYS  23           HN       LYS  23  -8.201  -1.299  -4.771
  228    HA   LYS  23           HA       LYS  23 -10.944  -2.033  -4.583
  229   1HB   LYS  23          2HB       LYS  23  -9.370  -2.857  -6.422
  230   2HB   LYS  23          3HB       LYS  23  -8.771  -4.041  -5.268
  231   1HG   LYS  23          2HG       LYS  23 -10.535  -5.151  -6.499
  232   2HG   LYS  23          3HG       LYS  23 -11.230  -4.759  -4.930
  233   1HD   LYS  23          2HD       LYS  23 -12.181  -2.654  -5.937
  234   2HD   LYS  23          3HD       LYS  23 -11.579  -3.161  -7.501
  235   1HE   LYS  23          2HE       LYS  23 -13.730  -3.991  -7.659
  236   2HE   LYS  23          3HE       LYS  23 -12.972  -5.375  -6.882
  237   1HZ   LYS  23          3HZ       LYS  23 -13.696  -3.731  -4.791
  238   2HZ   LYS  23          1HZ       LYS  23 -15.001  -3.642  -5.860
  239   3HZ   LYS  23          2HZ       LYS  23 -14.464  -5.146  -5.278
  240    QB   LYS  23           QB       LYS  23  -9.070  -3.449  -5.845
  241    QG   LYS  23           QG       LYS  23 -10.883  -4.955  -5.715
  242    QD   LYS  23           QD       LYS  23 -11.880  -2.908  -6.719
  243    QE   LYS  23           QE       LYS  23 -13.351  -4.683  -7.270
  244    QZ   LYS  23           QZ       LYS  23 -14.387  -4.173  -5.310
  245    H    LEU  24           HN       LEU  24  -8.105  -3.629  -3.040
  246    HA   LEU  24           HA       LEU  24  -9.595  -5.469  -1.474
  247   1HB   LEU  24          2HB       LEU  24  -7.093  -3.896  -0.750
  248   2HB   LEU  24          3HB       LEU  24  -7.773  -5.130   0.303
  249    HG   LEU  24           HG       LEU  24  -7.148  -5.715  -2.604
  250   1HD1  LEU  24          2HD1      LEU  24  -5.310  -6.042  -0.208
  251   2HD1  LEU  24          3HD1      LEU  24  -4.990  -6.628  -1.834
  252   3HD1  LEU  24          1HD1      LEU  24  -5.071  -4.903  -1.524
  253   1HD2  LEU  24          3HD2      LEU  24  -8.608  -7.312  -1.355
  254   2HD2  LEU  24          1HD2      LEU  24  -7.057  -8.034  -1.761
  255   3HD2  LEU  24          2HD2      LEU  24  -7.356  -7.471  -0.121
  256    QB   LEU  24           QB       LEU  24  -7.433  -4.513  -0.223
  257    QD1  LEU  24           QD1      LEU  24  -5.124  -5.858  -1.189
  258    QD2  LEU  24           QD2      LEU  24  -7.674  -7.606  -1.079
  259    QQD  LEU  24           QQD      LEU  24  -6.399  -6.732  -1.134
  260    H    SER  25           HN       SER  25  -8.788  -2.105  -0.782
  261    HA   SER  25           HA       SER  25 -10.095  -1.719   1.638
  262   1HB   SER  25          2HB       SER  25  -8.800   0.014   0.182
  263   2HB   SER  25          3HB       SER  25 -10.361   0.319  -0.595
  264    HG   SER  25           HG       SER  25 -10.446   0.159   2.170
  265    QB   SER  25           QB       SER  25  -9.580   0.166  -0.206
  266    H    ASN  26           HN       ASN  26 -11.487  -1.688  -1.584
  267    HA   ASN  26           HA       ASN  26 -14.197  -1.173  -0.706
  268   1HB   ASN  26          2HB       ASN  26 -13.529  -0.647  -2.985
  269   2HB   ASN  26          3HB       ASN  26 -13.024  -2.303  -3.272
  270   1HD2  ASN  26          2HD2      ASN  26 -17.052  -2.207  -2.820
  271   2HD2  ASN  26          1HD2      ASN  26 -16.029  -1.856  -1.518
  272    QB   ASN  26           QB       ASN  26 -13.276  -1.475  -3.129
  273    QD2  ASN  26           QD2      ASN  26 -16.541  -2.032  -2.169
  274    H    GLU  27           HN       GLU  27 -12.328  -4.108  -1.204
  275    HA   GLU  27           HA       GLU  27 -14.701  -5.814  -0.972
  276   1HB   GLU  27          2HB       GLU  27 -11.839  -6.771  -0.749
  277   2HB   GLU  27          3HB       GLU  27 -13.235  -7.673  -1.292
  278   1HG   GLU  27          2HG       GLU  27 -11.795  -5.469  -2.763
  279   2HG   GLU  27          3HG       GLU  27 -11.953  -7.143  -3.238
  280    QB   GLU  27           QB       GLU  27 -12.537  -7.222  -1.021
  281    QG   GLU  27           QG       GLU  27 -11.874  -6.306  -3.001
  282    NH1  ARG  28           NH1      ARG  28  -8.497  -7.833   4.853
  283    NH2  ARG  28           NH2      ARG  28  -7.886 -10.004   4.493
  284    H    ARG  28           HN       ARG  28 -12.020  -5.016   1.202
  285    HA   ARG  28           HA       ARG  28 -13.376  -6.671   3.297
  286   1HB   ARG  28          2HB       ARG  28 -10.465  -5.865   3.338
  287   2HB   ARG  28          3HB       ARG  28 -11.242  -7.210   4.170
  288   1HG   ARG  28          2HG       ARG  28 -11.704  -8.310   1.985
  289   2HG   ARG  28          3HG       ARG  28 -10.969  -6.958   1.141
  290   1HD   ARG  28          2HD       ARG  28  -9.363  -8.785   1.289
  291   2HD   ARG  28          3HD       ARG  28  -8.811  -7.436   2.280
  292    HE   ARG  28           HE       ARG  28 -10.219  -9.835   3.440
  293   1HH1  ARG  28          2HH1      ARG  28  -9.130  -7.085   4.646
  294   2HH1  ARG  28          1HH1      ARG  28  -7.796  -7.698   5.549
  295   1HH2  ARG  28          2HH2      ARG  28  -8.067 -10.873   3.991
  296   2HH2  ARG  28          1HH2      ARG  28  -7.148  -9.964   5.158
  297    QB   ARG  28           QB       ARG  28 -10.853  -6.537   3.754
  298    QG   ARG  28           QG       ARG  28 -11.336  -7.634   1.563
  299    QD   ARG  28           QD       ARG  28  -9.087  -8.110   1.785
  300    QH1  ARG  28           QH1      ARG  28  -8.463  -7.392   5.098
  301    QH2  ARG  28           QH2      ARG  28  -7.608 -10.419   4.574
  302    H    ASP  29           HN       ASP  29 -13.847  -5.834   5.238
  303    HA   ASP  29           HA       ASP  29 -14.258  -3.023   5.500
  304   1HB   ASP  29          2HB       ASP  29 -14.121  -4.996   7.807
  305   2HB   ASP  29          3HB       ASP  29 -15.118  -3.553   7.673
  306    QB   ASP  29           QB       ASP  29 -14.620  -4.274   7.740
  307    H    ASP  30           HN       ASP  30 -11.732  -5.099   6.873
  308    HA   ASP  30           HA       ASP  30 -10.623  -2.845   8.406
  309   1HB   ASP  30          2HB       ASP  30  -9.221  -4.421   9.432
  310   2HB   ASP  30          3HB       ASP  30 -10.627  -5.405   9.042
  311    QB   ASP  30           QB       ASP  30  -9.924  -4.913   9.237
  312    H    PHE  31           HN       PHE  31 -10.647  -2.968   5.322
  313    HA   PHE  31           HA       PHE  31  -7.689  -2.618   5.005
  314   1HB   PHE  31          2HB       PHE  31  -8.935  -4.465   3.722
  315   2HB   PHE  31          3HB       PHE  31  -9.604  -3.174   2.741
  316    HD1  PHE  31          1HD       PHE  31  -7.764  -1.404   1.871
  317    HD2  PHE  31          2HD       PHE  31  -6.901  -5.356   3.153
  318    HE1  PHE  31          1HE       PHE  31  -5.620  -1.311   0.702
  319    HE2  PHE  31          2HE       PHE  31  -4.742  -5.269   1.973
  320    HZ   PHE  31           HZ       PHE  31  -4.105  -3.249   0.742
  321    QB   PHE  31           QB       PHE  31  -9.270  -3.819   3.232
  322    QR   PHE  31           QR       PHE  31  -6.257  -3.335   1.925
  323    H    GLN  32           HN       GLN  32  -7.003  -0.666   4.667
  324    HA   GLN  32           HA       GLN  32  -8.686   1.373   3.270
  325   1HB   GLN  32          2HB       GLN  32  -6.991   2.074   5.694
  326   2HB   GLN  32          3HB       GLN  32  -8.251   3.040   4.947
  327   1HG   GLN  32          2HG       GLN  32  -9.990   1.616   5.830
  328   2HG   GLN  32          3HG       GLN  32  -8.821   0.394   6.335
  329   1HE2  GLN  32          2HE2      GLN  32  -9.758   3.149   9.003
  330   2HE2  GLN  32          1HE2      GLN  32 -10.739   2.656   7.706
  331    QB   GLN  32           QB       GLN  32  -7.621   2.557   5.320
  332    QG   GLN  32           QG       GLN  32  -9.405   1.005   6.083
  333    QE2  GLN  32           QE2      GLN  32 -10.249   2.902   8.355
  334    OH   TYR  33           OH       TYR  33  -7.953   6.122  -2.867
  335    H    TYR  33           HN       TYR  33  -7.055   3.319   2.674
  336    HA   TYR  33           HA       TYR  33  -4.264   2.334   2.506
  337   1HB   TYR  33          2HB       TYR  33  -4.022   2.538   0.155
  338   2HB   TYR  33          3HB       TYR  33  -5.468   1.573   0.401
  339    HD1  TYR  33           HD1      TYR  33  -7.760   2.697   0.104
  340    HD2  TYR  33           HD2      TYR  33  -4.123   4.642  -0.958
  341    HE1  TYR  33           HE1      TYR  33  -8.995   4.211  -1.370
  342    HE2  TYR  33           HE2      TYR  33  -5.366   6.159  -2.428
  343    HH   TYR  33           HH       TYR  33  -8.594   5.589  -3.366
  344    QB   TYR  33           QB       TYR  33  -4.745   2.055   0.278
  345    QR   TYR  33           QR       TYR  33  -6.561   4.427  -1.163
  346    H    GLN  34           HN       GLN  34  -2.730   3.897   2.208
  347    HA   GLN  34           HA       GLN  34  -3.600   6.744   2.132
  348   1HB   GLN  34          2HB       GLN  34  -2.597   5.376   4.411
  349   2HB   GLN  34          3HB       GLN  34  -1.268   6.357   3.833
  350   1HG   GLN  34          2HG       GLN  34  -4.065   7.442   4.325
  351   2HG   GLN  34          3HG       GLN  34  -2.748   7.550   5.489
  352   1HE2  GLN  34          2HE2      GLN  34  -1.328  10.345   3.888
  353   2HE2  GLN  34          1HE2      GLN  34  -1.454   9.396   5.294
  354    QB   GLN  34           QB       GLN  34  -1.932   5.867   4.122
  355    QG   GLN  34           QG       GLN  34  -3.407   7.496   4.907
  356    QE2  GLN  34           QE2      GLN  34  -1.391   9.871   4.591
  357    OH   TYR  35           OH       TYR  35   3.561   8.938  -4.974
  358    H    TYR  35           HN       TYR  35  -2.194   8.074   0.983
  359    HA   TYR  35           HA       TYR  35   0.289   6.750  -0.050
  360   1HB   TYR  35          2HB       TYR  35  -1.350   6.849  -1.888
  361   2HB   TYR  35          3HB       TYR  35  -1.600   8.567  -1.610
  362    HD1  TYR  35           HD2      TYR  35   1.781   7.096  -1.272
  363    HD2  TYR  35           HD1      TYR  35  -0.860   9.091  -3.953
  364    HE1  TYR  35           HE2      TYR  35   3.664   7.652  -2.701
  365    HE2  TYR  35           HE1      TYR  35   1.046   9.607  -5.416
  366    HH   TYR  35           HH       TYR  35   4.361   8.822  -4.433
  367    QB   TYR  35           QB       TYR  35  -1.475   7.708  -1.749
  368    QR   TYR  35           QR       TYR  35   1.408   8.362  -3.335
  369    H    VAL  36           HN       VAL  36   2.046   7.822   0.597
  370    HA   VAL  36           HA       VAL  36   1.823  10.784   0.982
  371    HB   VAL  36           HB       VAL  36   3.575   8.931   2.646
  372   1HG1  VAL  36          2HG1      VAL  36   2.654  11.804   3.043
  373   2HG1  VAL  36          3HG1      VAL  36   3.640  10.890   4.177
  374   3HG1  VAL  36          1HG1      VAL  36   4.276  11.301   2.590
  375   1HG2  VAL  36          1HG2      VAL  36   0.821  10.038   3.303
  376   2HG2  VAL  36          2HG2      VAL  36   1.216   8.341   3.060
  377   3HG2  VAL  36          3HG2      VAL  36   1.870   9.208   4.446
  378    QG1  VAL  36           QG1      VAL  36   3.523  11.332   3.270
  379    QG2  VAL  36           QG2      VAL  36   1.302   9.196   3.603
  380    QQG  VAL  36           QQG      VAL  36   2.413  10.264   3.436
  381    H    ASP  37           HN       ASP  37   3.722  11.953   0.602
  382    HA   ASP  37           HA       ASP  37   5.635  10.602  -1.274
  383   1HB   ASP  37          2HB       ASP  37   4.527  12.394  -2.445
  384   2HB   ASP  37          3HB       ASP  37   4.657  13.474  -1.069
  385    QB   ASP  37           QB       ASP  37   4.592  12.934  -1.757
  386    H    ILE  38           HN       ILE  38   7.643  10.365  -0.462
  387    HA   ILE  38           HA       ILE  38   8.469  10.899   2.095
  388    HB   ILE  38           HB       ILE  38  10.843  11.026   1.098
  389   1HG1  ILE  38          2HG1      ILE  38   9.203  10.675  -1.451
  390   2HG1  ILE  38          3HG1      ILE  38  10.266  12.018  -1.063
  391   1HG2  ILE  38          2HG2      ILE  38   9.760   8.943   1.880
  392   2HG2  ILE  38          3HG2      ILE  38   8.994   8.738   0.312
  393   3HG2  ILE  38          1HG2      ILE  38  10.744   8.631   0.459
  394   1HD1  ILE  38          2HD1      ILE  38  12.210  10.477  -1.032
  395   2HD1  ILE  38          3HD1      ILE  38  11.145   9.136  -1.443
  396   3HD1  ILE  38          1HD1      ILE  38  11.390  10.444  -2.591
  397    QG1  ILE  38           QG1      ILE  38   9.734  11.346  -1.257
  398    QG2  ILE  38           QG2      ILE  38   9.832   8.770   0.883
  399    QD1  ILE  38           QD1      ILE  38  11.582  10.019  -1.689
  400    NH1  ARG  39           NH2      ARG  39   7.218  19.274   1.117
  401    NH2  ARG  39           NH1      ARG  39   6.943  21.054  -0.300
  402    H    ARG  39           HN       ARG  39   8.604  13.221  -0.585
  403    HA   ARG  39           HA       ARG  39   9.967  15.228   1.051
  404   1HB   ARG  39          2HB       ARG  39  10.200  15.254  -1.402
  405   2HB   ARG  39          3HB       ARG  39   8.476  15.532  -1.584
  406   1HG   ARG  39          2HG       ARG  39   9.838  17.463   0.215
  407   2HG   ARG  39          3HG       ARG  39  10.398  17.523  -1.445
  408   1HD   ARG  39          2HD       ARG  39   8.202  18.003  -2.280
  409   2HD   ARG  39          3HD       ARG  39   7.438  17.565  -0.760
  410    HE   ARG  39           HE       ARG  39   9.212  19.988  -1.020
  411   1HH1  ARG  39          2HH2      ARG  39   7.707  18.423   1.330
  412   2HH1  ARG  39          1HH2      ARG  39   6.500  19.588   1.735
  413   1HH2  ARG  39          2HH1      ARG  39   7.195  21.514  -1.155
  414   2HH2  ARG  39          1HH1      ARG  39   6.239  21.455   0.287
  415    QB   ARG  39           QB       ARG  39   9.338  15.393  -1.493
  416    QG   ARG  39           QG       ARG  39  10.118  17.493  -0.615
  417    QD   ARG  39           QD       ARG  39   7.820  17.784  -1.520
  418    QH1  ARG  39           QH2      ARG  39   7.103  19.006   1.532
  419    QH2  ARG  39           QH1      ARG  39   6.717  21.484  -0.434
  420    H    ALA  40           HN       ALA  40   6.613  14.469   0.362
  421    HA   ALA  40           HA       ALA  40   5.377  16.915   1.059
  422   1HB   ALA  40          1HB       ALA  40   4.447  14.103   1.724
  423   2HB   ALA  40          2HB       ALA  40   3.430  15.539   1.756
  424   3HB   ALA  40          3HB       ALA  40   4.111  14.977   0.234
  425    QB   ALA  40           QB       ALA  40   3.996  14.873   1.238
  426    H    GLU  41           HN       GLU  41   6.170  14.232   3.271
  427    HA   GLU  41           HA       GLU  41   5.676  16.048   5.583
  428   1HB   GLU  41          2HB       GLU  41   6.284  13.070   5.512
  429   2HB   GLU  41          3HB       GLU  41   5.979  13.993   6.974
  430   1HG   GLU  41          2HG       GLU  41   3.709  14.612   6.045
  431   2HG   GLU  41          3HG       GLU  41   4.013  13.513   4.697
  432    QB   GLU  41           QB       GLU  41   6.131  13.531   6.243
  433    QG   GLU  41           QG       GLU  41   3.861  14.062   5.371
  434    H    GLY  42           HN       GLY  42   8.354  14.304   4.062
  435   1HA   GLY  42          1HA       GLY  42  10.615  15.305   4.262
  436   2HA   GLY  42          2HA       GLY  42  10.211  15.772   5.912
  437    QA   GLY  42           QA       GLY  42  10.413  15.539   5.087
  438    H    ILE  43           HN       ILE  43   9.903  12.794   4.082
  439    HA   ILE  43           HA       ILE  43  10.996  11.233   6.354
  440    HB   ILE  43           HB       ILE  43   9.608  10.412   3.774
  441   1HG1  ILE  43          2HG1      ILE  43   8.481  10.405   6.597
  442   2HG1  ILE  43          3HG1      ILE  43   8.259  11.763   5.503
  443   1HG2  ILE  43          1HG2      ILE  43  11.044   8.622   4.696
  444   2HG2  ILE  43          2HG2      ILE  43  10.259   8.797   6.258
  445   3HG2  ILE  43          3HG2      ILE  43   9.345   8.214   4.874
  446   1HD1  ILE  43          2HD1      ILE  43   7.197  10.243   3.845
  447   2HD1  ILE  43          3HD1      ILE  43   7.397   8.903   4.970
  448   3HD1  ILE  43          1HD1      ILE  43   6.324  10.238   5.376
  449    QG1  ILE  43           QG1      ILE  43   8.370  11.084   6.050
  450    QG2  ILE  43           QG2      ILE  43  10.216   8.544   5.276
  451    QD1  ILE  43           QD1      ILE  43   6.973   9.795   4.730
  452    H    THR  44           HN       THR  44  12.984  10.173   6.155
  453    HA   THR  44           HA       THR  44  14.436  10.698   3.603
  454    HB   THR  44           HB       THR  44  16.496  10.630   4.911
  455    HG1  THR  44          1HG       THR  44  16.515   9.407   6.590
  456   1HG2  THR  44          3HG2      THR  44  15.101  12.723   5.335
  457   2HG2  THR  44          1HG2      THR  44  14.383  11.906   6.718
  458   3HG2  THR  44          2HG2      THR  44  16.105  12.270   6.707
  459    QG2  THR  44           QG2      THR  44  15.196  12.300   6.253
  460    H    LYS  45           HN       LYS  45  16.071   9.122   3.008
  461    HA   LYS  45           HA       LYS  45  15.012   6.542   2.511
  462   1HB   LYS  45          2HB       LYS  45  16.857   7.583   1.227
  463   2HB   LYS  45          3HB       LYS  45  17.910   7.463   2.626
  464   1HG   LYS  45          2HG       LYS  45  17.158   4.874   2.458
  465   2HG   LYS  45          3HG       LYS  45  16.926   5.311   0.775
  466   1HD   LYS  45          2HD       LYS  45  19.195   4.496   1.046
  467   2HD   LYS  45          3HD       LYS  45  19.272   6.225   0.748
  468   1HE   LYS  45          2HE       LYS  45  20.034   6.690   2.851
  469   2HE   LYS  45          3HE       LYS  45  19.022   5.474   3.617
  470   1HZ   LYS  45          2HZ       LYS  45  20.982   4.229   2.013
  471   2HZ   LYS  45          3HZ       LYS  45  21.727   5.326   3.071
  472   3HZ   LYS  45          1HZ       LYS  45  20.721   4.093   3.680
  473    QB   LYS  45           QB       LYS  45  17.383   7.523   1.927
  474    QG   LYS  45           QG       LYS  45  17.042   5.093   1.617
  475    QD   LYS  45           QD       LYS  45  19.233   5.360   0.897
  476    QE   LYS  45           QE       LYS  45  19.528   6.082   3.234
  477    QZ   LYS  45           QZ       LYS  45  21.143   4.549   2.921
  478    H    GLU  46           HN       GLU  46  16.999   7.738   5.143
  479    HA   GLU  46           HA       GLU  46  17.607   5.140   6.271
  480   1HB   GLU  46          2HB       GLU  46  17.550   7.831   7.691
  481   2HB   GLU  46          3HB       GLU  46  18.324   6.370   8.279
  482   1HG   GLU  46          2HG       GLU  46  20.066   7.726   7.285
  483   2HG   GLU  46          3HG       GLU  46  19.767   6.393   6.175
  484    QB   GLU  46           QB       GLU  46  17.937   7.100   7.985
  485    QG   GLU  46           QG       GLU  46  19.917   7.059   6.730
  486    H    ASP  47           HN       ASP  47  15.174   7.685   7.031
  487    HA   ASP  47           HA       ASP  47  13.893   6.198   9.101
  488   1HB   ASP  47          2HB       ASP  47  13.211   8.522   8.694
  489   2HB   ASP  47          3HB       ASP  47  12.617   8.097   7.086
  490    QB   ASP  47           QB       ASP  47  12.914   8.309   7.890
  491    H    LEU  48           HN       LEU  48  13.208   6.334   5.621
  492    HA   LEU  48           HA       LEU  48  11.147   4.387   5.569
  493   1HB   LEU  48          2HB       LEU  48  13.116   5.453   3.608
  494   2HB   LEU  48          3HB       LEU  48  12.504   3.855   3.217
  495    HG   LEU  48           HG       LEU  48  10.684   6.190   3.926
  496   1HD1  LEU  48          3HD1      LEU  48  11.523   5.152   1.191
  497   2HD1  LEU  48          1HD1      LEU  48  10.307   6.391   1.485
  498   3HD1  LEU  48          2HD1      LEU  48  11.994   6.704   1.880
  499   1HD2  LEU  48          1HD2      LEU  48  10.195   3.526   2.538
  500   2HD2  LEU  48          2HD2      LEU  48   9.725   3.897   4.189
  501   3HD2  LEU  48          3HD2      LEU  48   8.968   4.741   2.844
  502    QB   LEU  48           QB       LEU  48  12.810   4.654   3.413
  503    QD1  LEU  48           QD1      LEU  48  11.275   6.082   1.519
  504    QD2  LEU  48           QD2      LEU  48   9.630   4.055   3.190
  505    QQD  LEU  48           QQD      LEU  48  10.452   5.069   2.354
  506    H    GLN  49           HN       GLN  49  14.636   3.868   5.084
  507    HA   GLN  49           HA       GLN  49  14.674   1.073   4.992
  508   1HB   GLN  49          2HB       GLN  49  16.588   2.664   4.622
  509   2HB   GLN  49          3HB       GLN  49  16.686   2.905   6.357
  510   1HG   GLN  49          2HG       GLN  49  16.792   0.080   5.371
  511   2HG   GLN  49          3HG       GLN  49  18.203   1.095   5.090
  512   1HE2  GLN  49          2HE2      GLN  49  17.378  -0.186   8.827
  513   2HE2  GLN  49          1HE2      GLN  49  16.389  -0.609   7.509
  514    QB   GLN  49           QB       GLN  49  16.637   2.784   5.490
  515    QG   GLN  49           QG       GLN  49  17.497   0.588   5.230
  516    QE2  GLN  49           QE2      GLN  49  16.884  -0.397   8.168
  517    H    GLN  50           HN       GLN  50  14.962   3.118   7.888
  518    HA   GLN  50           HA       GLN  50  15.096   1.099   9.852
  519   1HB   GLN  50          2HB       GLN  50  15.355   3.587  10.252
  520   2HB   GLN  50          3HB       GLN  50  13.616   3.760  10.070
  521   1HG   GLN  50          2HG       GLN  50  13.324   2.096  11.956
  522   2HG   GLN  50          3HG       GLN  50  15.068   2.136  12.191
  523   1HE2  GLN  50          2HE2      GLN  50  12.768   5.205  13.512
  524   2HE2  GLN  50          1HE2      GLN  50  12.091   3.926  12.625
  525    QB   GLN  50           QB       GLN  50  14.486   3.674  10.161
  526    QG   GLN  50           QG       GLN  50  14.196   2.116  12.073
  527    QE2  GLN  50           QE2      GLN  50  12.430   4.565  13.069
  528    H    LYS  51           HN       LYS  51  12.275   2.822   8.646
  529    HA   LYS  51           HA       LYS  51  10.255   1.351   9.939
  530   1HB   LYS  51          2HB       LYS  51  10.389   2.901   7.357
  531   2HB   LYS  51          3HB       LYS  51   8.921   2.050   7.772
  532   1HG   LYS  51          2HG       LYS  51   9.075   3.265  10.059
  533   2HG   LYS  51          3HG       LYS  51  10.286   4.285   9.283
  534   1HD   LYS  51          2HD       LYS  51   8.690   4.911   7.530
  535   2HD   LYS  51          3HD       LYS  51   7.487   3.808   8.184
  536   1HE   LYS  51          2HE       LYS  51   7.039   6.157   8.849
  537   2HE   LYS  51          3HE       LYS  51   7.343   5.129  10.243
  538   1HZ   LYS  51          1HZ       LYS  51   9.822   6.056   9.478
  539   2HZ   LYS  51          2HZ       LYS  51   8.819   7.387   9.307
  540   3HZ   LYS  51          3HZ       LYS  51   8.919   6.597  10.811
  541    QB   LYS  51           QB       LYS  51   9.655   2.475   7.565
  542    QG   LYS  51           QG       LYS  51   9.681   3.775   9.671
  543    QD   LYS  51           QD       LYS  51   8.089   4.359   7.857
  544    QE   LYS  51           QE       LYS  51   7.191   5.643   9.546
  545    QZ   LYS  51           QZ       LYS  51   9.187   6.680   9.865
  546    H    ALA  52           HN       ALA  52  11.935   0.728   6.935
  547    HA   ALA  52           HA       ALA  52  10.388  -1.455   5.977
  548   1HB   ALA  52          2HB       ALA  52  12.086  -0.290   4.622
  549   2HB   ALA  52          3HB       ALA  52  13.360  -0.958   5.637
  550   3HB   ALA  52          1HB       ALA  52  12.385  -2.022   4.639
  551    QB   ALA  52           QB       ALA  52  12.610  -1.090   4.966
  552    H    GLY  53           HN       GLY  53  13.308  -1.491   7.974
  553   1HA   GLY  53          1HA       GLY  53  13.591  -2.928   9.901
  554   2HA   GLY  53          2HA       GLY  53  12.328  -3.979   9.275
  555    QA   GLY  53           QA       GLY  53  12.960  -3.454   9.588
  556    H    LYS  54           HN       LYS  54  13.352  -4.216   6.665
  557    HA   LYS  54           HA       LYS  54  15.889  -5.739   7.155
  558   1HB   LYS  54          2HB       LYS  54  13.481  -6.592   5.500
  559   2HB   LYS  54          3HB       LYS  54  15.004  -7.468   5.548
  560   1HG   LYS  54          2HG       LYS  54  14.728  -7.657   8.065
  561   2HG   LYS  54          3HG       LYS  54  13.124  -6.963   7.877
  562   1HD   LYS  54          2HD       LYS  54  12.439  -8.813   6.427
  563   2HD   LYS  54          3HD       LYS  54  14.070  -9.475   6.451
  564   1HE   LYS  54          2HE       LYS  54  12.698 -10.726   8.035
  565   2HE   LYS  54          3HE       LYS  54  13.883  -9.779   8.925
  566   1HZ   LYS  54          3HZ       LYS  54  11.599  -8.197   8.586
  567   2HZ   LYS  54          1HZ       LYS  54  11.092  -9.722   9.141
  568   3HZ   LYS  54          2HZ       LYS  54  12.234  -8.838  10.032
  569    QB   LYS  54           QB       LYS  54  14.242  -7.030   5.524
  570    QG   LYS  54           QG       LYS  54  13.926  -7.310   7.971
  571    QD   LYS  54           QD       LYS  54  13.255  -9.144   6.439
  572    QE   LYS  54           QE       LYS  54  13.291 -10.252   8.480
  573    QZ   LYS  54           QZ       LYS  54  11.642  -8.919   9.253
  574    HA   PRO  55           HA       PRO  55  17.926  -3.428   5.031
  575   1HB   PRO  55          2HB       PRO  55  19.797  -4.816   3.591
  576   2HB   PRO  55          3HB       PRO  55  19.625  -4.959   5.346
  577   1HG   PRO  55          2HG       PRO  55  18.650  -6.834   3.186
  578   2HG   PRO  55          3HG       PRO  55  19.336  -7.225   4.768
  579   1HD   PRO  55          2HD       PRO  55  16.612  -7.230   4.210
  580   2HD   PRO  55          3HD       PRO  55  17.291  -7.018   5.837
  581    QB   PRO  55           QB       PRO  55  19.711  -4.887   4.468
  582    QG   PRO  55           QG       PRO  55  18.993  -7.029   3.977
  583    QD   PRO  55           QD       PRO  55  16.951  -7.124   5.024
  584    H    VAL  56           HN       VAL  56  16.008  -2.682   3.522
  585    HA   VAL  56           HA       VAL  56  17.152  -2.444   0.792
  586    HB   VAL  56           HB       VAL  56  15.515  -4.124   0.524
  587   1HG1  VAL  56          2HG1      VAL  56  13.661  -2.289   2.057
  588   2HG1  VAL  56          3HG1      VAL  56  13.174  -3.792   1.273
  589   3HG1  VAL  56          1HG1      VAL  56  14.314  -3.826   2.608
  590   1HG2  VAL  56          2HG2      VAL  56  15.499  -2.377  -1.220
  591   2HG2  VAL  56          3HG2      VAL  56  13.888  -3.033  -0.979
  592   3HG2  VAL  56          1HG2      VAL  56  14.304  -1.463  -0.308
  593    QG1  VAL  56           QG1      VAL  56  13.716  -3.302   1.979
  594    QG2  VAL  56           QG2      VAL  56  14.564  -2.291  -0.836
  595    QQG  VAL  56           QQG      VAL  56  14.140  -2.797   0.572
  596    H    GLU  57           HN       GLU  57  17.311  -0.372   0.142
  597    HA   GLU  57           HA       GLU  57  15.594   1.680   1.497
  598   1HB   GLU  57          2HB       GLU  57  18.191   2.573   0.343
  599   2HB   GLU  57          3HB       GLU  57  17.389   3.057   1.822
  600   1HG   GLU  57          2HG       GLU  57  18.135   1.002   2.942
  601   2HG   GLU  57          3HG       GLU  57  18.917   0.464   1.459
  602    QB   GLU  57           QB       GLU  57  17.790   2.815   1.083
  603    QG   GLU  57           QG       GLU  57  18.526   0.733   2.201
  604    H    THR  58           HN       THR  58  14.288   0.919  -0.472
  605    HA   THR  58           HA       THR  58  15.137   2.400  -2.926
  606    HB   THR  58           HB       THR  58  13.520   0.760  -4.074
  607    HG1  THR  58          1HG       THR  58  12.371   0.438  -2.062
  608   1HG2  THR  58          1HG2      THR  58  15.644  -0.542  -2.294
  609   2HG2  THR  58          2HG2      THR  58  14.978  -1.231  -3.772
  610   3HG2  THR  58          3HG2      THR  58  16.000   0.202  -3.847
  611    QG2  THR  58           QG2      THR  58  15.541  -0.523  -3.304
  612    H    VAL  59           HN       VAL  59  13.700   3.647  -4.060
  613    HA   VAL  59           HA       VAL  59  11.186   4.410  -2.645
  614    HB   VAL  59           HB       VAL  59  11.473   6.657  -3.812
  615   1HG1  VAL  59          1HG1      VAL  59  12.067   6.356  -1.431
  616   2HG1  VAL  59          2HG1      VAL  59  13.684   5.833  -1.895
  617   3HG1  VAL  59          3HG1      VAL  59  13.168   7.487  -2.209
  618   1HG2  VAL  59          3HG2      VAL  59  13.058   5.887  -5.571
  619   2HG2  VAL  59          1HG2      VAL  59  13.726   7.230  -4.651
  620   3HG2  VAL  59          2HG2      VAL  59  14.276   5.592  -4.335
  621    QG1  VAL  59           QG1      VAL  59  12.973   6.559  -1.845
  622    QG2  VAL  59           QG2      VAL  59  13.687   6.237  -4.852
  623    QQG  VAL  59           QQG      VAL  59  13.330   6.398  -3.349
  624    HA   PRO  60           HA       PRO  60   9.306   5.137  -2.897
  625   1HB   PRO  60          2HB       PRO  60   6.951   3.748  -4.082
  626   2HB   PRO  60          3HB       PRO  60   7.071   5.391  -3.448
  627   1HG   PRO  60          2HG       PRO  60   6.893   4.906  -6.119
  628   2HG   PRO  60          3HG       PRO  60   7.850   6.260  -5.495
  629   1HD   PRO  60          2HD       PRO  60   8.794   3.564  -6.481
  630   2HD   PRO  60          3HD       PRO  60   9.542   5.164  -6.708
  631    QB   PRO  60           QB       PRO  60   7.011   4.570  -3.765
  632    QG   PRO  60           QG       PRO  60   7.372   5.583  -5.807
  633    QD   PRO  60           QD       PRO  60   9.168   4.364  -6.595
  634    H    GLN  61           HN       GLN  61   8.102   3.775  -1.252
  635    HA   GLN  61           HA       GLN  61   8.786   0.854  -1.420
  636   1HB   GLN  61          2HB       GLN  61  10.395   2.261   0.011
  637   2HB   GLN  61          3HB       GLN  61   9.028   2.594   1.060
  638   1HG   GLN  61          2HG       GLN  61   8.889   0.358   1.811
  639   2HG   GLN  61          3HG       GLN  61   9.742  -0.264   0.402
  640   1HE2  GLN  61          2HE2      GLN  61  12.662  -0.353   2.390
  641   2HE2  GLN  61          1HE2      GLN  61  11.544  -1.225   1.455
  642    QB   GLN  61           QB       GLN  61   9.711   2.428   0.535
  643    QG   GLN  61           QG       GLN  61   9.315   0.047   1.106
  644    QE2  GLN  61           QE2      GLN  61  12.103  -0.789   1.923
  645    H    ILE  62           HN       ILE  62   7.211  -0.478  -0.207
  646    HA   ILE  62           HA       ILE  62   4.727   1.034   0.495
  647    HB   ILE  62           HB       ILE  62   4.988  -1.727  -0.756
  648   1HG1  ILE  62          2HG1      ILE  62   4.138   0.988  -1.824
  649   2HG1  ILE  62          3HG1      ILE  62   5.452  -0.032  -2.398
  650   1HG2  ILE  62          3HG2      ILE  62   3.038  -1.509   0.821
  651   2HG2  ILE  62          1HG2      ILE  62   2.474  -0.126  -0.114
  652   3HG2  ILE  62          2HG2      ILE  62   2.534  -1.731  -0.847
  653   1HD1  ILE  62          2HD1      ILE  62   3.783  -1.762  -3.062
  654   2HD1  ILE  62          3HD1      ILE  62   2.486  -0.670  -2.580
  655   3HD1  ILE  62          1HD1      ILE  62   3.550  -0.241  -3.917
  656    QG1  ILE  62           QG1      ILE  62   4.795   0.478  -2.111
  657    QG2  ILE  62           QG2      ILE  62   2.682  -1.122  -0.047
  658    QD1  ILE  62           QD1      ILE  62   3.273  -0.891  -3.186
  659    H    PHE  63           HN       PHE  63   3.608   0.476   2.217
  660    HA   PHE  63           HA       PHE  63   4.620  -1.715   3.971
  661   1HB   PHE  63          2HB       PHE  63   3.880   1.118   4.821
  662   2HB   PHE  63          3HB       PHE  63   4.184  -0.202   5.945
  663    HD1  PHE  63          2HD       PHE  63   5.755   1.823   3.241
  664    HD2  PHE  63          1HD       PHE  63   6.430  -0.756   6.565
  665    HE1  PHE  63          2HE       PHE  63   8.145   2.304   3.130
  666    HE2  PHE  63          1HE       PHE  63   8.824  -0.289   6.439
  667    HZ   PHE  63           HZ       PHE  63   9.704   1.228   4.703
  668    QB   PHE  63           QB       PHE  63   4.032   0.458   5.383
  669    QR   PHE  63           QR       PHE  63   7.289   0.770   4.843
  670    H    VAL  64           HN       VAL  64   2.984  -2.277   5.614
  671    HA   VAL  64           HA       VAL  64   0.191  -1.701   4.778
  672    HB   VAL  64           HB       VAL  64   1.511  -4.410   5.017
  673   1HG1  VAL  64          3HG1      VAL  64  -0.592  -4.433   6.377
  674   2HG1  VAL  64          1HG1      VAL  64  -1.480  -3.844   4.974
  675   3HG1  VAL  64          2HG1      VAL  64  -0.716  -5.426   4.948
  676   1HG2  VAL  64          2HG2      VAL  64   1.444  -3.271   2.792
  677   2HG2  VAL  64          3HG2      VAL  64   0.443  -4.716   2.800
  678   3HG2  VAL  64          1HG2      VAL  64  -0.303  -3.128   2.929
  679    QG1  VAL  64           QG1      VAL  64  -0.929  -4.568   5.433
  680    QG2  VAL  64           QG2      VAL  64   0.528  -3.705   2.840
  681    QQG  VAL  64           QQG      VAL  64  -0.201  -4.136   4.137
  682    H    ASP  65           HN       ASP  65  -0.471  -0.694   6.527
  683    HA   ASP  65           HA       ASP  65  -1.145  -0.303   8.708
  684   1HB   ASP  65          2HB       ASP  65  -2.120  -2.613   7.932
  685   2HB   ASP  65          3HB       ASP  65  -1.070  -3.264   9.169
  686    QB   ASP  65           QB       ASP  65  -1.595  -2.939   8.550
  687    H    GLN  66           HN       GLN  66   0.659  -3.187   9.437
  688    HA   GLN  66           HA       GLN  66   2.651  -1.569  10.920
  689   1HB   GLN  66          2HB       GLN  66   0.992  -3.819  12.103
  690   2HB   GLN  66          3HB       GLN  66   2.409  -3.135  12.893
  691   1HG   GLN  66          2HG       GLN  66   1.374  -0.930  12.976
  692   2HG   GLN  66          3HG       GLN  66   0.023  -1.478  11.995
  693   1HE2  GLN  66          2HE2      GLN  66  -1.803  -2.548  14.754
  694   2HE2  GLN  66          1HE2      GLN  66  -1.767  -2.109  13.106
  695    QB   GLN  66           QB       GLN  66   1.701  -3.477  12.498
  696    QG   GLN  66           QG       GLN  66   0.698  -1.204  12.486
  697    QE2  GLN  66           QE2      GLN  66  -1.785  -2.329  13.930
  698    H    GLN  67           HN       GLN  67   2.558  -3.348   8.492
  699    HA   GLN  67           HA       GLN  67   4.910  -5.027   9.115
  700   1HB   GLN  67          2HB       GLN  67   2.875  -6.381   8.789
  701   2HB   GLN  67          3HB       GLN  67   2.484  -5.503   7.314
  702   1HG   GLN  67          2HG       GLN  67   4.641  -6.311   6.342
  703   2HG   GLN  67          3HG       GLN  67   4.863  -7.280   7.794
  704   1HE2  GLN  67          2HE2      GLN  67   2.358  -9.668   6.788
  705   2HE2  GLN  67          1HE2      GLN  67   3.264  -9.114   8.117
  706    QB   GLN  67           QB       GLN  67   2.680  -5.942   8.051
  707    QG   GLN  67           QG       GLN  67   4.752  -6.795   7.068
  708    QE2  GLN  67           QE2      GLN  67   2.811  -9.391   7.452
  709    H    HIS  68           HN       HIS  68   6.361  -5.237   7.145
  710    HA   HIS  68           HA       HIS  68   6.083  -2.874   5.307
  711   1HB   HIS  68          2HB       HIS  68   8.073  -2.658   6.631
  712   2HB   HIS  68          3HB       HIS  68   8.510  -4.323   6.364
  713    HD1  HIS  68           HD1      HIS  68  10.609  -3.979   5.227
  714    HD2  HIS  68           HD2      HIS  68   7.720  -1.730   3.377
  715    HE1  HIS  68           HE1      HIS  68  11.564  -3.291   2.987
  716    QB   HIS  68           QB       HIS  68   8.292  -3.490   6.498
  717    H    ILE  69           HN       ILE  69   6.124  -3.287   3.089
  718    HA   ILE  69           HA       ILE  69   6.044  -6.191   2.368
  719    HB   ILE  69           HB       ILE  69   4.582  -3.744   1.406
  720   1HG1  ILE  69          2HG1      ILE  69   2.649  -5.260   1.506
  721   2HG1  ILE  69          3HG1      ILE  69   3.707  -6.623   1.827
  722   1HG2  ILE  69          2HG2      ILE  69   5.002  -6.236  -0.278
  723   2HG2  ILE  69          3HG2      ILE  69   3.840  -4.959  -0.623
  724   3HG2  ILE  69          1HG2      ILE  69   5.561  -4.613  -0.673
  725   1HD1  ILE  69          2HD1      ILE  69   3.409  -4.205   3.638
  726   2HD1  ILE  69          3HD1      ILE  69   2.621  -5.760   3.880
  727   3HD1  ILE  69          1HD1      ILE  69   4.367  -5.646   3.971
  728    QG1  ILE  69           QG1      ILE  69   3.178  -5.941   1.667
  729    QG2  ILE  69           QG2      ILE  69   4.801  -5.270  -0.525
  730    QD1  ILE  69           QD1      ILE  69   3.465  -5.204   3.830
  731    H    GLY  70           HN       GLY  70   7.158  -3.059   1.170
  732   1HA   GLY  70          1HA       GLY  70   9.565  -3.103   0.331
  733   2HA   GLY  70          2HA       GLY  70   9.099  -4.522  -0.601
  734    QA   GLY  70           QA       GLY  70   9.332  -3.813  -0.135
  735    H    GLY  71           HN       GLY  71   8.051  -4.231  -2.581
  736   1HA   GLY  71          1HA       GLY  71   7.348  -1.402  -3.311
  737   2HA   GLY  71          2HA       GLY  71   8.219  -2.457  -4.418
  738    QA   GLY  71           QA       GLY  71   7.784  -1.930  -3.864
  739    OH   TYR  72           OH       TYR  72  -0.976  -3.872  -9.017
  740    H    TYR  72           HN       TYR  72   6.054  -1.477  -5.520
  741    HA   TYR  72           HA       TYR  72   3.517  -2.568  -5.037
  742   1HB   TYR  72          2HB       TYR  72   3.923  -0.854  -6.772
  743   2HB   TYR  72          3HB       TYR  72   4.760  -2.046  -7.765
  744    HD1  TYR  72           HD2      TYR  72   1.487  -1.607  -5.974
  745    HD2  TYR  72           HD1      TYR  72   3.487  -3.215  -9.361
  746    HE1  TYR  72           HE2      TYR  72  -0.645  -2.480  -6.819
  747    HE2  TYR  72           HE1      TYR  72   1.354  -4.044 -10.229
  748    HH   TYR  72           HH       TYR  72  -1.376  -4.347  -8.276
  749    QB   TYR  72           QB       TYR  72   4.342  -1.450  -7.268
  750    QR   TYR  72           QR       TYR  72   1.421  -2.837  -8.096
  751    H    THR  73           HN       THR  73   6.129  -4.027  -6.972
  752    HA   THR  73           HA       THR  73   4.869  -6.284  -7.996
  753    HB   THR  73           HB       THR  73   7.296  -7.362  -7.343
  754    HG1  THR  73          1HG       THR  73   8.125  -5.839  -6.028
  755   1HG2  THR  73          3HG2      THR  73   7.000  -4.927  -9.176
  756   2HG2  THR  73          1HG2      THR  73   8.264  -6.150  -9.278
  757   3HG2  THR  73          2HG2      THR  73   6.597  -6.572  -9.659
  758    QG2  THR  73           QG2      THR  73   7.287  -5.883  -9.371
  759    H    ASP  74           HN       ASP  74   6.500  -6.129  -4.884
  760    HA   ASP  74           HA       ASP  74   5.678  -8.689  -3.951
  761   1HB   ASP  74          2HB       ASP  74   6.205  -6.249  -2.226
  762   2HB   ASP  74          3HB       ASP  74   6.485  -7.939  -1.811
  763    QB   ASP  74           QB       ASP  74   6.345  -7.094  -2.018
  764    H    PHE  75           HN       PHE  75   4.328  -5.447  -3.369
  765    HA   PHE  75           HA       PHE  75   2.192  -6.086  -1.712
  766   1HB   PHE  75          2HB       PHE  75   2.703  -3.784  -2.562
  767   2HB   PHE  75          3HB       PHE  75   2.034  -4.230  -4.124
  768    HD1  PHE  75          2HD       PHE  75   0.686  -5.076  -0.720
  769    HD2  PHE  75          1HD       PHE  75   0.118  -2.864  -4.318
  770    HE1  PHE  75          2HE       PHE  75  -1.505  -4.332   0.080
  771    HE2  PHE  75          1HE       PHE  75  -2.083  -2.132  -3.511
  772    HZ   PHE  75           HZ       PHE  75  -2.898  -2.882  -1.316
  773    QB   PHE  75           QB       PHE  75   2.368  -4.007  -3.343
  774    QR   PHE  75           QR       PHE  75  -0.696  -3.601  -2.117
  775    H    ALA  76           HN       ALA  76   2.158  -6.298  -5.261
  776    HA   ALA  76           HA       ALA  76  -0.493  -7.296  -5.551
  777   1HB   ALA  76          3HB       ALA  76   0.878  -6.564  -7.478
  778   2HB   ALA  76          1HB       ALA  76   1.932  -7.957  -7.266
  779   3HB   ALA  76          2HB       ALA  76   0.250  -8.190  -7.738
  780    QB   ALA  76           QB       ALA  76   1.020  -7.570  -7.494
  781    H    ALA  77           HN       ALA  77   2.508  -9.260  -5.494
  782    HA   ALA  77           HA       ALA  77   1.052 -11.786  -5.365
  783   1HB   ALA  77          1HB       ALA  77   3.848 -11.110  -4.326
  784   2HB   ALA  77          2HB       ALA  77   3.224 -12.735  -4.587
  785   3HB   ALA  77          3HB       ALA  77   3.477 -11.659  -5.959
  786    QB   ALA  77           QB       ALA  77   3.516 -11.835  -4.957
  787    CH2  TRP  78           CH2      TRP  78  -0.960  -6.852   3.005
  788    H    TRP  78           HN       TRP  78   2.645  -9.904  -2.854
  789    HA   TRP  78           HA       TRP  78   2.109 -11.335  -0.548
  790   1HB   TRP  78          2HB       TRP  78   3.348  -9.242  -0.603
  791   2HB   TRP  78          3HB       TRP  78   1.935  -8.370  -1.099
  792    HD1  TRP  78           HD1      TRP  78   3.590  -9.824   2.036
  793    HE1  TRP  78           HE1      TRP  78   2.439  -8.899   4.064
  794    HE3  TRP  78           HE3      TRP  78  -0.228  -7.524  -0.234
  795    HZ2  TRP  78           HZ2      TRP  78   0.215  -7.411   4.701
  796    HZ3  TRP  78           HZ3      TRP  78  -1.966  -6.438   1.174
  797    HH2  TRP  78           HH2      TRP  78  -1.692  -6.325   3.593
  798    QB   TRP  78           QB       TRP  78   2.642  -8.806  -0.851
  799    H    VAL  79           HN       VAL  79  -0.061  -8.948  -2.042
  800    HA   VAL  79           HA       VAL  79  -2.243  -9.047  -0.345
  801    HB   VAL  79           HB       VAL  79  -1.966  -8.735  -3.336
  802   1HG1  VAL  79          2HG1      VAL  79  -4.610  -8.734  -1.834
  803   2HG1  VAL  79          3HG1      VAL  79  -4.387  -8.155  -3.481
  804   3HG1  VAL  79          1HG1      VAL  79  -4.147  -9.850  -3.109
  805   1HG2  VAL  79          1HG2      VAL  79  -2.912  -6.933  -1.077
  806   2HG2  VAL  79          2HG2      VAL  79  -1.360  -6.848  -1.893
  807   3HG2  VAL  79          3HG2      VAL  79  -2.830  -6.451  -2.768
  808    QG1  VAL  79           QG1      VAL  79  -4.381  -8.913  -2.808
  809    QG2  VAL  79           QG2      VAL  79  -2.367  -6.744  -1.912
  810    QQG  VAL  79           QQG      VAL  79  -3.374  -7.829  -2.360
  811    H    LYS  80           HN       LYS  80  -1.500 -11.326  -2.930
  812    HA   LYS  80           HA       LYS  80  -3.797 -12.907  -2.916
  813   1HB   LYS  80          2HB       LYS  80  -1.882 -13.181  -4.491
  814   2HB   LYS  80          3HB       LYS  80  -0.945 -13.923  -3.204
  815   1HG   LYS  80          2HG       LYS  80  -3.676 -15.033  -3.862
  816   2HG   LYS  80          3HG       LYS  80  -2.324 -15.418  -4.914
  817   1HD   LYS  80          2HD       LYS  80  -1.191 -16.631  -3.259
  818   2HD   LYS  80          3HD       LYS  80  -2.002 -15.840  -1.936
  819   1HE   LYS  80          2HE       LYS  80  -3.389 -17.722  -3.872
  820   2HE   LYS  80          3HE       LYS  80  -2.722 -18.230  -2.332
  821   1HZ   LYS  80          1HZ       LYS  80  -4.403 -16.030  -1.832
  822   2HZ   LYS  80          2HZ       LYS  80  -5.254 -17.105  -2.818
  823   3HZ   LYS  80          3HZ       LYS  80  -4.616 -17.624  -1.339
  824    QB   LYS  80           QB       LYS  80  -1.413 -13.552  -3.847
  825    QG   LYS  80           QG       LYS  80  -3.000 -15.225  -4.388
  826    QD   LYS  80           QD       LYS  80  -1.597 -16.235  -2.597
  827    QE   LYS  80           QE       LYS  80  -3.055 -17.976  -3.102
  828    QZ   LYS  80           QZ       LYS  80  -4.758 -16.920  -1.996
  829    H    GLU  81           HN       GLU  81  -1.117 -13.117  -0.608
  830    HA   GLU  81           HA       GLU  81  -2.582 -15.357   0.729
  831   1HB   GLU  81          2HB       GLU  81  -0.221 -15.530   1.931
  832   2HB   GLU  81          3HB       GLU  81  -0.445 -16.191   0.319
  833   1HG   GLU  81          2HG       GLU  81   0.623 -14.306  -0.711
  834   2HG   GLU  81          3HG       GLU  81   0.551 -13.358   0.767
  835    QB   GLU  81           QB       GLU  81  -0.333 -15.861   1.125
  836    QG   GLU  81           QG       GLU  81   0.587 -13.832   0.028
  837    H    ASN  82           HN       ASN  82  -1.220 -12.166   1.391
  838    HA   ASN  82           HA       ASN  82  -1.750 -12.529   4.276
  839   1HB   ASN  82          2HB       ASN  82  -0.771 -10.179   2.634
  840   2HB   ASN  82          3HB       ASN  82  -1.167 -10.009   4.342
  841   1HD2  ASN  82          2HD2      ASN  82   1.880 -12.653   3.508
  842   2HD2  ASN  82          1HD2      ASN  82   0.496 -12.659   2.527
  843    QB   ASN  82           QB       ASN  82  -0.969 -10.094   3.488
  844    QD2  ASN  82           QD2      ASN  82   1.188 -12.656   3.018
  845    H    LEU  83           HN       LEU  83  -3.450 -11.344   1.512
  846    HA   LEU  83           HA       LEU  83  -5.541 -10.173   3.307
  847   1HB   LEU  83          2HB       LEU  83  -4.777  -9.645   0.431
  848   2HB   LEU  83          3HB       LEU  83  -6.393  -9.262   0.998
  849    HG   LEU  83           HG       LEU  83  -4.661  -7.366   1.105
  850   1HD1  LEU  83          3HD1      LEU  83  -6.106  -8.248   3.619
  851   2HD1  LEU  83          1HD1      LEU  83  -5.460  -6.640   3.350
  852   3HD1  LEU  83          2HD1      LEU  83  -6.758  -7.245   2.326
  853   1HD2  LEU  83          2HD2      LEU  83  -2.801  -8.742   2.051
  854   2HD2  LEU  83          3HD2      LEU  83  -3.212  -7.346   3.035
  855   3HD2  LEU  83          1HD2      LEU  83  -3.741  -8.927   3.533
  856    QB   LEU  83           QB       LEU  83  -5.585  -9.453   0.715
  857    QD1  LEU  83           QD1      LEU  83  -6.108  -7.378   3.098
  858    QD2  LEU  83           QD2      LEU  83  -3.251  -8.339   2.873
  859    QQD  LEU  83           QQD      LEU  83  -4.680  -7.858   2.985
  860    H    ASP  84           HN       ASP  84  -5.155 -11.899   0.333
  861    HA   ASP  84           HA       ASP  84  -6.484 -13.341  -0.879
  862   1HB   ASP  84          2HB       ASP  84  -5.410 -14.470   1.416
  863   2HB   ASP  84          3HB       ASP  84  -7.079 -14.983   1.489
  864    QB   ASP  84           QB       ASP  84  -6.245 -14.727   1.452
  865    H    ALA  85           HN       ALA  85  -8.069 -13.372   2.182
  866    HA   ALA  85           HA       ALA  85 -10.695 -12.865   0.826
  867   1HB   ALA  85          3HB       ALA  85 -10.179 -14.479   3.348
  868   2HB   ALA  85          1HB       ALA  85 -11.761 -14.178   2.638
  869   3HB   ALA  85          2HB       ALA  85 -10.582 -15.155   1.770
  870    QB   ALA  85           QB       ALA  85 -10.841 -14.604   2.585
   
  Start of MODEL           9
 Raw file had 870 H/Q atoms
  Start of MODEL    9
    1    H    MET   1           HN       MET   1  -8.030  -3.187   8.449
    2    HA   MET   1           HA       MET   1  -6.049  -2.724   9.460
    3   1HB   MET   1          2HB       MET   1  -4.785  -4.014   7.005
    4   2HB   MET   1          3HB       MET   1  -3.989  -3.723   8.544
    5   1HG   MET   1          2HG       MET   1  -5.973  -5.120   9.534
    6   2HG   MET   1          3HG       MET   1  -6.169  -5.691   7.898
    7   1HE   MET   1          3HE       MET   1  -3.229  -5.692   6.926
    8   2HE   MET   1          1HE       MET   1  -2.630  -7.309   7.280
    9   3HE   MET   1          2HE       MET   1  -4.234  -7.105   6.573
   10    QB   MET   1           QB       MET   1  -4.387  -3.869   7.775
   11    QG   MET   1           QG       MET   1  -6.071  -5.405   8.716
   12    QE   MET   1           QE       MET   1  -3.364  -6.702   6.926
   13    H    GLN   2           HN       GLN   2  -3.580  -1.796   8.497
   14    HA   GLN   2           HA       GLN   2  -4.408   0.674   7.110
   15   1HB   GLN   2          2HB       GLN   2  -2.315   0.068   9.205
   16   2HB   GLN   2          3HB       GLN   2  -2.306   1.549   8.282
   17   1HG   GLN   2          2HG       GLN   2  -4.574   2.101   9.126
   18   2HG   GLN   2          3HG       GLN   2  -4.587   0.593  10.044
   19   1HE2  GLN   2          2HE2      GLN   2  -1.462   2.610  11.515
   20   2HE2  GLN   2          1HE2      GLN   2  -1.415   1.788  10.028
   21    QB   GLN   2           QB       GLN   2  -2.310   0.808   8.744
   22    QG   GLN   2           QG       GLN   2  -4.580   1.347   9.585
   23    QE2  GLN   2           QE2      GLN   2  -1.438   2.199  10.771
   24    H    THR   3           HN       THR   3  -3.669   0.657   5.005
   25    HA   THR   3           HA       THR   3  -1.016  -0.658   4.520
   26    HB   THR   3           HB       THR   3  -3.169   0.051   2.460
   27    HG1  THR   3          1HG       THR   3  -4.122  -1.714   3.187
   28   1HG2  THR   3          2HG2      THR   3  -0.819  -0.543   1.608
   29   2HG2  THR   3          3HG2      THR   3  -0.951  -2.065   2.487
   30   3HG2  THR   3          1HG2      THR   3  -2.043  -1.723   1.148
   31    QG2  THR   3           QG2      THR   3  -1.271  -1.444   1.747
   32    H    VAL   4           HN       VAL   4   0.657   0.755   4.261
   33    HA   VAL   4           HA       VAL   4  -0.012   3.546   3.373
   34    HB   VAL   4           HB       VAL   4   2.326   2.633   5.089
   35   1HG1  VAL   4          2HG1      VAL   4   1.304   5.405   4.349
   36   2HG1  VAL   4          3HG1      VAL   4   2.624   5.065   5.464
   37   3HG1  VAL   4          1HG1      VAL   4   2.790   4.661   3.759
   38   1HG2  VAL   4          2HG2      VAL   4  -0.232   4.079   5.875
   39   2HG2  VAL   4          3HG2      VAL   4   0.183   2.426   6.306
   40   3HG2  VAL   4          1HG2      VAL   4   1.130   3.763   6.947
   41    QG1  VAL   4           QG1      VAL   4   2.239   5.044   4.524
   42    QG2  VAL   4           QG2      VAL   4   0.360   3.422   6.376
   43    QQG  VAL   4           QQG      VAL   4   1.300   4.233   5.450
   44    H    ILE   5           HN       ILE   5   0.962   4.337   1.655
   45    HA   ILE   5           HA       ILE   5   3.158   2.742   0.371
   46    HB   ILE   5           HB       ILE   5   1.180   4.703  -0.888
   47   1HG1  ILE   5          2HG1      ILE   5   0.352   2.828  -2.215
   48   2HG1  ILE   5          3HG1      ILE   5   1.472   1.733  -1.425
   49   1HG2  ILE   5          2HG2      ILE   5   3.470   3.104  -2.097
   50   2HG2  ILE   5          3HG2      ILE   5   2.271   3.986  -3.035
   51   3HG2  ILE   5          1HG2      ILE   5   3.366   4.860  -1.973
   52   1HD1  ILE   5          3HD1      ILE   5  -0.710   3.268   0.037
   53   2HD1  ILE   5          1HD1      ILE   5  -0.869   1.605  -0.516
   54   3HD1  ILE   5          2HD1      ILE   5   0.314   2.005   0.709
   55    QG1  ILE   5           QG1      ILE   5   0.912   2.281  -1.820
   56    QG2  ILE   5           QG2      ILE   5   3.036   3.983  -2.368
   57    QD1  ILE   5           QD1      ILE   5  -0.421   2.292   0.077
   58    H    PHE   6           HN       PHE   6   5.095   3.702   0.449
   59    HA   PHE   6           HA       PHE   6   5.244   6.676   0.784
   60   1HB   PHE   6          2HB       PHE   6   7.271   4.498   1.453
   61   2HB   PHE   6          3HB       PHE   6   7.617   6.211   1.526
   62    HD1  PHE   6          1HD       PHE   6   4.495   6.605   2.558
   63    HD2  PHE   6          2HD       PHE   6   7.929   4.471   3.909
   64    HE1  PHE   6          1HE       PHE   6   3.770   6.901   4.868
   65    HE2  PHE   6          2HE       PHE   6   7.162   4.735   6.223
   66    HZ   PHE   6           HZ       PHE   6   5.090   5.956   6.708
   67    QB   PHE   6           QB       PHE   6   7.444   5.355   1.490
   68    QR   PHE   6           QR       PHE   6   5.839   5.678   4.389
   69    H    GLY   7           HN       GLY   7   5.073   7.217  -1.285
   70   1HA   GLY   7          1HA       GLY   7   7.127   6.127  -3.179
   71   2HA   GLY   7          2HA       GLY   7   5.504   6.588  -3.715
   72    QA   GLY   7           QA       GLY   7   6.315   6.358  -3.447
   73    NH1  ARG   8           NH2      ARG   8   7.324  12.634  -9.669
   74    NH2  ARG   8           NH1      ARG   8   9.086  13.982  -9.076
   75    H    ARG   8           HN       ARG   8   7.061   8.035  -5.110
   76    HA   ARG   8           HA       ARG   8   7.883  10.376  -3.487
   77   1HB   ARG   8          2HB       ARG   8   9.098  11.182  -5.382
   78   2HB   ARG   8          3HB       ARG   8   9.443   9.470  -5.245
   79   1HG   ARG   8          2HG       ARG   8   8.349   8.942  -7.206
   80   2HG   ARG   8          3HG       ARG   8   7.126  10.193  -6.999
   81   1HD   ARG   8          2HD       ARG   8  10.022  10.892  -7.579
   82   2HD   ARG   8          3HD       ARG   8   8.873  10.549  -8.868
   83    HE   ARG   8           HE       ARG   8   8.209  12.724  -6.879
   84   1HH1  ARG   8          2HH2      ARG   8   6.723  11.857  -9.437
   85   2HH1  ARG   8          1HH2      ARG   8   7.175  13.132 -10.519
   86   1HH2  ARG   8          2HH1      ARG   8   9.783  14.203  -8.392
   87   2HH2  ARG   8          1HH1      ARG   8   9.017  14.523  -9.914
   88    QB   ARG   8           QB       ARG   8   9.271  10.326  -5.314
   89    QG   ARG   8           QG       ARG   8   7.738   9.568  -7.103
   90    QD   ARG   8           QD       ARG   8   9.448  10.720  -8.223
   91    QH1  ARG   8           QH2      ARG   8   6.949  12.494  -9.978
   92    QH2  ARG   8           QH1      ARG   8   9.400  14.363  -9.153
   93    H    SER   9           HN       SER   9   7.551  12.464  -4.539
   94    HA   SER   9           HA       SER   9   4.887  13.267  -4.548
   95   1HB   SER   9          2HB       SER   9   6.074  15.267  -5.938
   96   2HB   SER   9          3HB       SER   9   6.445  14.999  -4.222
   97    HG   SER   9           HG       SER   9   8.412  14.633  -4.919
   98    QB   SER   9           QB       SER   9   6.259  15.133  -5.080
   99    H    GLY  10           HN       GLY  10   3.996  11.518  -5.940
  100   1HA   GLY  10          1HA       GLY  10   2.684  11.394  -7.981
  101   2HA   GLY  10          2HA       GLY  10   3.860  12.455  -8.765
  102    QA   GLY  10           QA       GLY  10   3.272  11.924  -8.373
  103    H    CYS  11           HN       CYS  11   3.606   9.265  -7.209
  104    HA   CYS  11           HA       CYS  11   5.745   8.304  -9.045
  105   1HB   CYS  11          2HB       CYS  11   6.121   8.115  -6.619
  106   2HB   CYS  11          3HB       CYS  11   4.697   7.129  -6.474
  107    HG   CYS  11           HG       CYS  11   7.435   6.172  -7.514
  108    QB   CYS  11           QB       CYS  11   5.409   7.622  -6.546
  109    HA   PRO  12           HA       PRO  12   1.939   6.694 -11.128
  110   1HB   PRO  12          2HB       PRO  12   3.660   5.326 -12.974
  111   2HB   PRO  12          3HB       PRO  12   2.728   6.799 -13.251
  112   1HG   PRO  12          2HG       PRO  12   5.619   6.499 -12.608
  113   2HG   PRO  12          3HG       PRO  12   4.795   7.824 -13.437
  114   1HD   PRO  12          2HD       PRO  12   5.740   8.040 -10.880
  115   2HD   PRO  12          3HD       PRO  12   4.316   8.943 -11.438
  116    QB   PRO  12           QB       PRO  12   3.194   6.063 -13.113
  117    QG   PRO  12           QG       PRO  12   5.207   7.162 -13.023
  118    QD   PRO  12           QD       PRO  12   5.028   8.491 -11.159
  119    OH   TYR  13           OH       TYR  13   8.242   0.464 -13.170
  120    H    TYR  13           HN       TYR  13   4.644   5.020  -9.732
  121    HA   TYR  13           HA       TYR  13   3.545   2.356 -10.153
  122   1HB   TYR  13          2HB       TYR  13   5.746   3.497  -8.452
  123   2HB   TYR  13          3HB       TYR  13   5.151   1.880  -8.088
  124    HD1  TYR  13           HD2      TYR  13   6.522   3.968 -10.895
  125    HD2  TYR  13           HD1      TYR  13   5.806   0.044  -9.396
  126    HE1  TYR  13           HE2      TYR  13   7.778   3.012 -12.771
  127    HE2  TYR  13           HE1      TYR  13   7.073  -0.896 -11.269
  128    HH   TYR  13           HH       TYR  13   9.175   0.570 -12.961
  129    QB   TYR  13           QB       TYR  13   5.449   2.689  -8.270
  130    QR   TYR  13           QR       TYR  13   6.795   1.532 -11.083
  131    H    CYS  14           HN       CYS  14   3.485   4.692  -7.473
  132    HA   CYS  14           HA       CYS  14   2.108   3.062  -5.573
  133   1HB   CYS  14          2HB       CYS  14   2.952   5.139  -4.796
  134   2HB   CYS  14          3HB       CYS  14   2.145   6.045  -6.049
  135    HG   CYS  14           HG       CYS  14   0.961   5.283  -3.349
  136    QB   CYS  14           QB       CYS  14   2.548   5.592  -5.423
  137    H    VAL  15           HN       VAL  15   0.984   5.082  -8.202
  138    HA   VAL  15           HA       VAL  15  -1.757   5.088  -7.857
  139    HB   VAL  15           HB       VAL  15  -0.303   4.547 -10.479
  140   1HG1  VAL  15          2HG1      VAL  15  -3.053   5.733  -9.914
  141   2HG1  VAL  15          3HG1      VAL  15  -2.305   5.613 -11.503
  142   3HG1  VAL  15          1HG1      VAL  15  -2.753   4.153 -10.631
  143   1HG2  VAL  15          2HG2      VAL  15   0.509   6.563  -9.274
  144   2HG2  VAL  15          3HG2      VAL  15  -0.386   7.012 -10.720
  145   3HG2  VAL  15          1HG2      VAL  15  -1.144   7.145  -9.138
  146    QG1  VAL  15           QG1      VAL  15  -2.704   5.166 -10.683
  147    QG2  VAL  15           QG2      VAL  15  -0.340   6.907  -9.711
  148    QQG  VAL  15           QQG      VAL  15  -1.522   6.037 -10.197
  149    NH1  ARG  16           NH1      ARG  16  -4.249  -0.303 -10.983
  150    NH2  ARG  16           NH2      ARG  16  -4.678   1.647 -12.057
  151    H    ARG  16           HN       ARG  16   0.147   2.259  -8.878
  152    HA   ARG  16           HA       ARG  16  -2.306   0.670  -9.305
  153   1HB   ARG  16          2HB       ARG  16   0.584  -0.243  -9.242
  154   2HB   ARG  16          3HB       ARG  16  -0.783  -1.193  -9.805
  155   1HG   ARG  16          2HG       ARG  16   0.069   1.461 -11.040
  156   2HG   ARG  16          3HG       ARG  16   0.565  -0.102 -11.656
  157   1HD   ARG  16          2HD       ARG  16  -1.331   0.693 -12.969
  158   2HD   ARG  16          3HD       ARG  16  -1.851  -0.695 -12.021
  159    HE   ARG  16           HE       ARG  16  -2.357   1.966 -10.815
  160   1HH1  ARG  16          2HH1      ARG  16  -3.596  -0.916 -10.538
  161   2HH1  ARG  16          1HH1      ARG  16  -5.228  -0.546 -11.026
  162   1HH2  ARG  16          2HH2      ARG  16  -4.340   2.494 -12.467
  163   2HH2  ARG  16          1HH2      ARG  16  -5.663   1.424 -12.090
  164    QB   ARG  16           QB       ARG  16  -0.100  -0.718  -9.524
  165    QG   ARG  16           QG       ARG  16   0.317   0.679 -11.348
  166    QD   ARG  16           QD       ARG  16  -1.591  -0.001 -12.495
  167    QH1  ARG  16           QH1      ARG  16  -4.412  -0.731 -10.782
  168    QH2  ARG  16           QH2      ARG  16  -5.002   1.959 -12.279
  169    H    ALA  17           HN       ALA  17   0.338   0.745  -6.930
  170    HA   ALA  17           HA       ALA  17  -0.593  -1.312  -5.218
  171   1HB   ALA  17          3HB       ALA  17   1.504   0.009  -4.820
  172   2HB   ALA  17          1HB       ALA  17   0.517   1.384  -4.343
  173   3HB   ALA  17          2HB       ALA  17   0.500  -0.095  -3.378
  174    QB   ALA  17           QB       ALA  17   0.840   0.432  -4.180
  175    H    LYS  18           HN       LYS  18  -1.438   2.061  -5.412
  176    HA   LYS  18           HA       LYS  18  -3.456   2.245  -3.451
  177   1HB   LYS  18          2HB       LYS  18  -2.631   4.275  -4.435
  178   2HB   LYS  18          3HB       LYS  18  -2.959   3.715  -6.062
  179   1HG   LYS  18          2HG       LYS  18  -5.282   3.957  -4.171
  180   2HG   LYS  18          3HG       LYS  18  -4.593   5.442  -4.804
  181   1HD   LYS  18          2HD       LYS  18  -4.856   4.388  -7.156
  182   2HD   LYS  18          3HD       LYS  18  -5.838   3.160  -6.374
  183   1HE   LYS  18          2HE       LYS  18  -7.129   5.168  -5.342
  184   2HE   LYS  18          3HE       LYS  18  -6.414   6.082  -6.652
  185   1HZ   LYS  18          3HZ       LYS  18  -7.407   3.788  -7.858
  186   2HZ   LYS  18          1HZ       LYS  18  -8.591   4.244  -6.710
  187   3HZ   LYS  18          2HZ       LYS  18  -8.097   5.351  -7.897
  188    QB   LYS  18           QB       LYS  18  -2.795   3.995  -5.249
  189    QG   LYS  18           QG       LYS  18  -4.938   4.699  -4.487
  190    QD   LYS  18           QD       LYS  18  -5.347   3.774  -6.765
  191    QE   LYS  18           QE       LYS  18  -6.771   5.625  -5.997
  192    QZ   LYS  18           QZ       LYS  18  -8.032   4.461  -7.488
  193    H    ASP  19           HN       ASP  19  -3.914   1.836  -6.997
  194    HA   ASP  19           HA       ASP  19  -6.653   1.303  -6.945
  195   1HB   ASP  19          2HB       ASP  19  -4.451   0.835  -8.756
  196   2HB   ASP  19          3HB       ASP  19  -5.527  -0.550  -8.796
  197    QB   ASP  19           QB       ASP  19  -4.989   0.142  -8.776
  198    H    LEU  20           HN       LEU  20  -4.114  -1.134  -6.681
  199    HA   LEU  20           HA       LEU  20  -5.775  -3.376  -6.295
  200   1HB   LEU  20          2HB       LEU  20  -3.328  -3.475  -6.703
  201   2HB   LEU  20          3HB       LEU  20  -3.032  -2.824  -5.103
  202    HG   LEU  20           HG       LEU  20  -4.106  -4.810  -4.080
  203   1HD1  LEU  20          1HD1      LEU  20  -4.361  -5.764  -6.962
  204   2HD1  LEU  20          2HD1      LEU  20  -4.650  -6.764  -5.542
  205   3HD1  LEU  20          3HD1      LEU  20  -5.696  -5.393  -5.875
  206   1HD2  LEU  20          3HD2      LEU  20  -1.966  -5.481  -6.131
  207   2HD2  LEU  20          1HD2      LEU  20  -1.674  -4.832  -4.524
  208   3HD2  LEU  20          2HD2      LEU  20  -2.350  -6.445  -4.710
  209    QB   LEU  20           QB       LEU  20  -3.180  -3.150  -5.903
  210    QD1  LEU  20           QD1      LEU  20  -4.903  -5.974  -6.126
  211    QD2  LEU  20           QD2      LEU  20  -1.997  -5.586  -5.122
  212    QQD  LEU  20           QQD      LEU  20  -3.450  -5.780  -5.624
  213    H    ALA  21           HN       ALA  21  -4.125  -1.513  -3.736
  214    HA   ALA  21           HA       ALA  21  -5.418  -2.780  -1.543
  215   1HB   ALA  21          1HB       ALA  21  -3.439  -1.289  -1.290
  216   2HB   ALA  21          2HB       ALA  21  -4.420   0.092  -1.749
  217   3HB   ALA  21          3HB       ALA  21  -4.756  -0.767  -0.249
  218    QB   ALA  21           QB       ALA  21  -4.205  -0.655  -1.096
  219    H    GLU  22           HN       GLU  22  -6.316   0.058  -3.416
  220    HA   GLU  22           HA       GLU  22  -8.536   0.915  -1.890
  221   1HB   GLU  22          2HB       GLU  22  -7.523   2.158  -3.832
  222   2HB   GLU  22          3HB       GLU  22  -8.250   0.983  -4.912
  223   1HG   GLU  22          2HG       GLU  22 -10.480   1.611  -4.263
  224   2HG   GLU  22          3HG       GLU  22  -9.882   2.590  -2.925
  225    QB   GLU  22           QB       GLU  22  -7.886   1.571  -4.372
  226    QG   GLU  22           QG       GLU  22 -10.181   2.100  -3.594
  227    H    LYS  23           HN       LYS  23  -8.398  -1.290  -4.665
  228    HA   LYS  23           HA       LYS  23 -11.097  -1.989  -4.804
  229   1HB   LYS  23          2HB       LYS  23  -9.141  -2.864  -6.260
  230   2HB   LYS  23          3HB       LYS  23  -8.872  -4.060  -5.003
  231   1HG   LYS  23          2HG       LYS  23 -10.297  -5.106  -6.635
  232   2HG   LYS  23          3HG       LYS  23 -11.319  -4.728  -5.258
  233   1HD   LYS  23          2HD       LYS  23 -12.169  -2.719  -6.363
  234   2HD   LYS  23          3HD       LYS  23 -11.022  -2.909  -7.682
  235   1HE   LYS  23          2HE       LYS  23 -13.228  -3.707  -8.373
  236   2HE   LYS  23          3HE       LYS  23 -12.104  -5.059  -8.292
  237   1HZ   LYS  23          2HZ       LYS  23 -13.253  -4.810  -5.762
  238   2HZ   LYS  23          3HZ       LYS  23 -14.520  -4.709  -6.894
  239   3HZ   LYS  23          1HZ       LYS  23 -13.465  -6.050  -6.879
  240    QB   LYS  23           QB       LYS  23  -9.007  -3.462  -5.631
  241    QG   LYS  23           QG       LYS  23 -10.808  -4.917  -5.947
  242    QD   LYS  23           QD       LYS  23 -11.595  -2.814  -7.023
  243    QE   LYS  23           QE       LYS  23 -12.666  -4.383  -8.332
  244    QZ   LYS  23           QZ       LYS  23 -13.746  -5.190  -6.511
  245    H    LEU  24           HN       LEU  24  -8.618  -3.764  -2.971
  246    HA   LEU  24           HA       LEU  24 -10.376  -5.457  -1.525
  247   1HB   LEU  24          2HB       LEU  24  -7.870  -4.137  -0.376
  248   2HB   LEU  24          3HB       LEU  24  -8.571  -5.658   0.133
  249    HG   LEU  24           HG       LEU  24  -7.449  -5.146  -2.654
  250   1HD1  LEU  24          1HD1      LEU  24  -5.707  -5.089  -0.887
  251   2HD1  LEU  24          2HD1      LEU  24  -6.267  -6.651  -0.309
  252   3HD1  LEU  24          3HD1      LEU  24  -5.560  -6.505  -1.912
  253   1HD2  LEU  24          2HD2      LEU  24  -8.300  -7.710  -1.244
  254   2HD2  LEU  24          3HD2      LEU  24  -9.168  -6.938  -2.570
  255   3HD2  LEU  24          1HD2      LEU  24  -7.568  -7.621  -2.842
  256    QB   LEU  24           QB       LEU  24  -8.220  -4.898  -0.122
  257    QD1  LEU  24           QD1      LEU  24  -5.844  -6.082  -1.036
  258    QD2  LEU  24           QD2      LEU  24  -8.345  -7.423  -2.219
  259    QQD  LEU  24           QQD      LEU  24  -7.095  -6.752  -1.628
  260    H    SER  25           HN       SER  25  -8.975  -2.414  -0.464
  261    HA   SER  25           HA       SER  25 -10.128  -1.711   1.849
  262   1HB   SER  25          2HB       SER  25  -8.697  -0.258   0.235
  263   2HB   SER  25          3HB       SER  25 -10.222   0.216  -0.507
  264    HG   SER  25           HG       SER  25 -10.375   0.300   2.191
  265    QB   SER  25           QB       SER  25  -9.460  -0.021  -0.136
  266    H    ASN  26           HN       ASN  26 -11.731  -1.372  -1.279
  267    HA   ASN  26           HA       ASN  26 -14.286  -0.608  -0.056
  268   1HB   ASN  26          2HB       ASN  26 -13.527   0.354  -2.228
  269   2HB   ASN  26          3HB       ASN  26 -13.575  -1.248  -2.944
  270   1HD2  ASN  26          2HD2      ASN  26 -17.346  -0.447  -1.811
  271   2HD2  ASN  26          1HD2      ASN  26 -16.143  -0.821  -0.681
  272    QB   ASN  26           QB       ASN  26 -13.551  -0.447  -2.586
  273    QD2  ASN  26           QD2      ASN  26 -16.745  -0.634  -1.246
  274    H    GLU  27           HN       GLU  27 -12.905  -3.521  -1.457
  275    HA   GLU  27           HA       GLU  27 -15.432  -4.897  -1.791
  276   1HB   GLU  27          2HB       GLU  27 -12.614  -5.996  -1.479
  277   2HB   GLU  27          3HB       GLU  27 -14.005  -7.005  -1.795
  278   1HG   GLU  27          2HG       GLU  27 -14.370  -5.534  -3.862
  279   2HG   GLU  27          3HG       GLU  27 -12.770  -4.894  -3.570
  280    QB   GLU  27           QB       GLU  27 -13.310  -6.501  -1.637
  281    QG   GLU  27           QG       GLU  27 -13.570  -5.214  -3.716
  282    NH1  ARG  28           NH1      ARG  28 -11.747 -10.070   1.023
  283    NH2  ARG  28           NH2      ARG  28 -11.735  -9.492  -1.171
  284    H    ARG  28           HN       ARG  28 -13.178  -4.601   0.900
  285    HA   ARG  28           HA       ARG  28 -15.274  -5.943   2.531
  286   1HB   ARG  28          2HB       ARG  28 -13.352  -7.022   3.865
  287   2HB   ARG  28          3HB       ARG  28 -13.788  -7.730   2.330
  288   1HG   ARG  28          2HG       ARG  28 -11.593  -5.665   2.524
  289   2HG   ARG  28          3HG       ARG  28 -11.268  -7.351   2.864
  290   1HD   ARG  28          2HD       ARG  28 -12.078  -6.081   0.268
  291   2HD   ARG  28          3HD       ARG  28 -10.736  -7.154   0.571
  292    HE   ARG  28           HE       ARG  28 -13.599  -8.048   0.363
  293   1HH1  ARG  28          2HH1      ARG  28 -11.987  -9.855   1.967
  294   2HH1  ARG  28          1HH1      ARG  28 -11.270 -10.939   0.806
  295   1HH2  ARG  28          2HH2      ARG  28 -11.946  -8.833  -1.904
  296   2HH2  ARG  28          1HH2      ARG  28 -11.297 -10.372  -1.403
  297    QB   ARG  28           QB       ARG  28 -13.570  -7.376   3.097
  298    QG   ARG  28           QG       ARG  28 -11.431  -6.508   2.694
  299    QD   ARG  28           QD       ARG  28 -11.407  -6.617   0.420
  300    QH1  ARG  28           QH1      ARG  28 -11.628 -10.397   1.386
  301    QH2  ARG  28           QH2      ARG  28 -11.621  -9.603  -1.654
  302    H    ASP  29           HN       ASP  29 -14.796  -3.134   2.367
  303    HA   ASP  29           HA       ASP  29 -14.215  -1.276   3.760
  304   1HB   ASP  29          2HB       ASP  29 -15.955  -3.096   5.464
  305   2HB   ASP  29          3HB       ASP  29 -15.720  -1.380   5.766
  306    QB   ASP  29           QB       ASP  29 -15.837  -2.238   5.615
  307    H    ASP  30           HN       ASP  30 -11.826  -2.601   3.989
  308    HA   ASP  30           HA       ASP  30 -11.209  -2.120   6.834
  309   1HB   ASP  30          2HB       ASP  30 -11.823  -4.392   7.120
  310   2HB   ASP  30          3HB       ASP  30 -11.014  -4.890   5.638
  311    QB   ASP  30           QB       ASP  30 -11.418  -4.641   6.379
  312    H    PHE  31           HN       PHE  31  -9.880  -3.369   3.830
  313    HA   PHE  31           HA       PHE  31  -7.160  -2.691   4.640
  314   1HB   PHE  31          2HB       PHE  31  -7.993  -4.629   3.123
  315   2HB   PHE  31          3HB       PHE  31  -8.086  -3.417   1.857
  316    HD1  PHE  31          2HD       PHE  31  -5.709  -4.796   4.405
  317    HD2  PHE  31          1HD       PHE  31  -6.170  -2.908   0.613
  318    HE1  PHE  31          2HE       PHE  31  -3.314  -5.104   3.958
  319    HE2  PHE  31          1HE       PHE  31  -3.782  -3.265   0.160
  320    HZ   PHE  31           HZ       PHE  31  -2.349  -4.318   1.845
  321    QB   PHE  31           QB       PHE  31  -8.040  -4.023   2.490
  322    QR   PHE  31           QR       PHE  31  -4.744  -4.018   2.284
  323    H    GLN  32           HN       GLN  32  -7.968  -0.430   5.039
  324    HA   GLN  32           HA       GLN  32  -8.281   1.271   2.659
  325   1HB   GLN  32          2HB       GLN  32  -8.220   1.741   5.647
  326   2HB   GLN  32          3HB       GLN  32  -8.094   3.100   4.540
  327   1HG   GLN  32          2HG       GLN  32 -10.444   2.780   5.174
  328   2HG   GLN  32          3HG       GLN  32 -10.244   2.401   3.471
  329   1HE2  GLN  32          2HE2      GLN  32 -11.631  -0.431   5.960
  330   2HE2  GLN  32          1HE2      GLN  32 -11.278   1.138   6.513
  331    QB   GLN  32           QB       GLN  32  -8.157   2.421   5.093
  332    QG   GLN  32           QG       GLN  32 -10.344   2.591   4.323
  333    QE2  GLN  32           QE2      GLN  32 -11.455   0.354   6.237
  334    OH   TYR  33           OH       TYR  33  -7.029   5.602  -2.836
  335    H    TYR  33           HN       TYR  33  -6.735   2.775   1.955
  336    HA   TYR  33           HA       TYR  33  -4.008   2.203   3.009
  337   1HB   TYR  33          2HB       TYR  33  -3.177   2.406   0.723
  338   2HB   TYR  33          3HB       TYR  33  -4.521   1.269   0.730
  339    HD1  TYR  33           HD2      TYR  33  -3.466   4.667  -0.239
  340    HD2  TYR  33           HD1      TYR  33  -6.688   1.871  -0.280
  341    HE1  TYR  33           HE2      TYR  33  -4.683   6.084  -1.811
  342    HE2  TYR  33           HE1      TYR  33  -7.899   3.309  -1.856
  343    HH   TYR  33           HH       TYR  33  -7.778   5.107  -3.210
  344    QB   TYR  33           QB       TYR  33  -3.849   1.838   0.727
  345    QR   TYR  33           QR       TYR  33  -5.684   3.983  -1.047
  346    H    GLN  34           HN       GLN  34  -2.455   3.835   2.739
  347    HA   GLN  34           HA       GLN  34  -3.481   6.637   2.603
  348   1HB   GLN  34          2HB       GLN  34  -1.603   5.343   4.610
  349   2HB   GLN  34          3HB       GLN  34  -1.572   7.076   4.328
  350   1HG   GLN  34          2HG       GLN  34  -3.051   6.807   6.167
  351   2HG   GLN  34          3HG       GLN  34  -4.115   7.020   4.785
  352   1HE2  GLN  34          2HE2      GLN  34  -5.666   3.922   5.323
  353   2HE2  GLN  34          1HE2      GLN  34  -5.702   5.435   4.556
  354    QB   GLN  34           QB       GLN  34  -1.587   6.210   4.469
  355    QG   GLN  34           QG       GLN  34  -3.583   6.914   5.476
  356    QE2  GLN  34           QE2      GLN  34  -5.684   4.678   4.939
  357    OH   TYR  35           OH       TYR  35   3.134   8.695  -5.106
  358    H    TYR  35           HN       TYR  35  -2.228   7.971   1.312
  359    HA   TYR  35           HA       TYR  35   0.286   6.750   0.223
  360   1HB   TYR  35          2HB       TYR  35  -1.507   7.092  -1.484
  361   2HB   TYR  35          3HB       TYR  35  -1.547   8.802  -1.085
  362    HD1  TYR  35           HD2      TYR  35   1.721   7.049  -1.118
  363    HD2  TYR  35           HD1      TYR  35  -1.011   9.349  -3.441
  364    HE1  TYR  35           HE2      TYR  35   3.447   7.406  -2.814
  365    HE2  TYR  35           HE1      TYR  35   0.712   9.667  -5.140
  366    HH   TYR  35           HH       TYR  35   3.793   9.356  -4.836
  367    QB   TYR  35           QB       TYR  35  -1.527   7.947  -1.285
  368    QR   TYR  35           QR       TYR  35   1.217   8.368  -3.128
  369    H    VAL  36           HN       VAL  36   2.044   7.693   0.995
  370    HA   VAL  36           HA       VAL  36   1.895  10.603   1.709
  371    HB   VAL  36           HB       VAL  36   3.639   8.519   3.083
  372   1HG1  VAL  36          2HG1      VAL  36   2.754  11.313   3.904
  373   2HG1  VAL  36          3HG1      VAL  36   3.765  10.240   4.866
  374   3HG1  VAL  36          1HG1      VAL  36   4.363  10.872   3.335
  375   1HG2  VAL  36          3HG2      VAL  36   0.923   9.586   3.946
  376   2HG2  VAL  36          1HG2      VAL  36   1.258   7.935   3.427
  377   3HG2  VAL  36          2HG2      VAL  36   1.962   8.547   4.919
  378    QG1  VAL  36           QG1      VAL  36   3.627  10.808   4.035
  379    QG2  VAL  36           QG2      VAL  36   1.381   8.689   4.097
  380    QQG  VAL  36           QQG      VAL  36   2.504   9.749   4.066
  381    H    ASP  37           HN       ASP  37   3.723  11.819   1.152
  382    HA   ASP  37           HA       ASP  37   5.597  10.431  -0.711
  383   1HB   ASP  37          2HB       ASP  37   4.467  11.915  -2.121
  384   2HB   ASP  37          3HB       ASP  37   4.288  13.136  -0.865
  385    QB   ASP  37           QB       ASP  37   4.377  12.526  -1.493
  386    H    ILE  38           HN       ILE  38   7.610  10.804  -0.651
  387    HA   ILE  38           HA       ILE  38   8.934  11.430   1.749
  388    HB   ILE  38           HB       ILE  38  10.997  11.490   0.239
  389   1HG1  ILE  38          2HG1      ILE  38   8.975  10.803  -1.924
  390   2HG1  ILE  38          3HG1      ILE  38   9.660  12.406  -1.753
  391   1HG2  ILE  38          1HG2      ILE  38   8.993   9.210  -0.037
  392   2HG2  ILE  38          2HG2      ILE  38  10.714   9.075  -0.372
  393   3HG2  ILE  38          3HG2      ILE  38  10.161   9.414   1.262
  394   1HD1  ILE  38          1HD1      ILE  38  11.938  11.462  -2.024
  395   2HD1  ILE  38          2HD1      ILE  38  11.241   9.859  -2.238
  396   3HD1  ILE  38          3HD1      ILE  38  10.922  11.122  -3.421
  397    QG1  ILE  38           QG1      ILE  38   9.318  11.605  -1.839
  398    QG2  ILE  38           QG2      ILE  38   9.956   9.233   0.284
  399    QD1  ILE  38           QD1      ILE  38  11.367  10.814  -2.561
  400    NH1  ARG  39           NH2      ARG  39  10.007  17.601   2.017
  401    NH2  ARG  39           NH1      ARG  39  10.471  19.712   1.268
  402    H    ARG  39           HN       ARG  39   8.301  13.575  -1.062
  403    HA   ARG  39           HA       ARG  39   9.900  15.695   0.213
  404   1HB   ARG  39          2HB       ARG  39   9.211  14.990  -2.396
  405   2HB   ARG  39          3HB       ARG  39   8.255  16.419  -2.104
  406   1HG   ARG  39          2HG       ARG  39  11.271  16.187  -1.715
  407   2HG   ARG  39          3HG       ARG  39  10.491  16.944  -3.094
  408   1HD   ARG  39          2HD       ARG  39  10.817  18.853  -1.856
  409   2HD   ARG  39          3HD       ARG  39   9.306  18.359  -1.096
  410    HE   ARG  39           HE       ARG  39  11.933  17.513   0.089
  411   1HH1  ARG  39          2HH2      ARG  39  10.054  16.613   1.872
  412   2HH1  ARG  39          1HH2      ARG  39   9.555  17.958   2.836
  413   1HH2  ARG  39          2HH1      ARG  39  10.872  20.291   0.560
  414   2HH2  ARG  39          1HH1      ARG  39  10.051  20.135   2.072
  415    QB   ARG  39           QB       ARG  39   8.733  15.704  -2.250
  416    QG   ARG  39           QG       ARG  39  10.881  16.566  -2.405
  417    QD   ARG  39           QD       ARG  39  10.062  18.606  -1.476
  418    QH1  ARG  39           QH2      ARG  39   9.805  17.286   2.354
  419    QH2  ARG  39           QH1      ARG  39  10.461  20.213   1.316
  420    H    ALA  40           HN       ALA  40   6.696  14.616   0.368
  421    HA   ALA  40           HA       ALA  40   5.564  17.294   0.933
  422   1HB   ALA  40          1HB       ALA  40   4.211  15.534  -0.223
  423   2HB   ALA  40          2HB       ALA  40   4.336  14.520   1.211
  424   3HB   ALA  40          3HB       ALA  40   3.457  16.046   1.286
  425    QB   ALA  40           QB       ALA  40   4.001  15.367   0.758
  426    H    GLU  41           HN       GLU  41   6.120  14.254   2.577
  427    HA   GLU  41           HA       GLU  41   5.463  15.263   5.196
  428   1HB   GLU  41          2HB       GLU  41   5.056  12.951   4.487
  429   2HB   GLU  41          3HB       GLU  41   6.776  12.736   4.259
  430   1HG   GLU  41          2HG       GLU  41   7.215  12.985   6.607
  431   2HG   GLU  41          3HG       GLU  41   5.572  13.551   6.893
  432    QB   GLU  41           QB       GLU  41   5.916  12.844   4.373
  433    QG   GLU  41           QG       GLU  41   6.394  13.268   6.750
  434    H    GLY  42           HN       GLY  42   8.435  14.590   3.399
  435   1HA   GLY  42          1HA       GLY  42  10.495  15.816   3.841
  436   2HA   GLY  42          2HA       GLY  42   9.939  16.101   5.492
  437    QA   GLY  42           QA       GLY  42  10.217  15.958   4.666
  438    H    ILE  43           HN       ILE  43  10.104  13.178   3.530
  439    HA   ILE  43           HA       ILE  43  11.310  11.724   5.806
  440    HB   ILE  43           HB       ILE  43  10.654  10.637   3.042
  441   1HG1  ILE  43          2HG1      ILE  43   8.823  10.835   5.467
  442   2HG1  ILE  43          3HG1      ILE  43   8.661  11.791   4.003
  443   1HG2  ILE  43          3HG2      ILE  43  10.849   9.364   5.804
  444   2HG2  ILE  43          1HG2      ILE  43  10.395   8.518   4.338
  445   3HG2  ILE  43          2HG2      ILE  43  12.017   9.174   4.498
  446   1HD1  ILE  43          3HD1      ILE  43   8.382   9.664   2.692
  447   2HD1  ILE  43          1HD1      ILE  43   8.405   8.774   4.211
  448   3HD1  ILE  43          2HD1      ILE  43   7.114   9.920   3.881
  449    QG1  ILE  43           QG1      ILE  43   8.742  11.313   4.735
  450    QG2  ILE  43           QG2      ILE  43  11.087   9.019   4.880
  451    QD1  ILE  43           QD1      ILE  43   7.967   9.452   3.595
  452    H    THR  44           HN       THR  44  13.366  10.762   5.682
  453    HA   THR  44           HA       THR  44  15.136  11.970   3.596
  454    HB   THR  44           HB       THR  44  16.891  11.985   5.285
  455    HG1  THR  44          1HG       THR  44  16.799  10.610   6.925
  456   1HG2  THR  44          1HG2      THR  44  15.008  13.644   5.831
  457   2HG2  THR  44          2HG2      THR  44  14.302  12.401   6.857
  458   3HG2  THR  44          3HG2      THR  44  15.881  13.069   7.249
  459    QG2  THR  44           QG2      THR  44  15.064  13.038   6.646
  460    H    LYS  45           HN       LYS  45  17.254  10.599   3.451
  461    HA   LYS  45           HA       LYS  45  16.514   8.045   2.259
  462   1HB   LYS  45          2HB       LYS  45  19.196   9.338   2.967
  463   2HB   LYS  45          3HB       LYS  45  19.066   7.808   2.114
  464   1HG   LYS  45          2HG       LYS  45  17.388   9.958   0.964
  465   2HG   LYS  45          3HG       LYS  45  19.112  10.308   0.911
  466   1HD   LYS  45          2HD       LYS  45  19.538   8.634  -0.592
  467   2HD   LYS  45          3HD       LYS  45  18.393   7.530   0.157
  468   1HE   LYS  45          2HE       LYS  45  16.516   8.805  -0.857
  469   2HE   LYS  45          3HE       LYS  45  17.679   9.869  -1.643
  470   1HZ   LYS  45          3HZ       LYS  45  18.373   7.194  -2.182
  471   2HZ   LYS  45          1HZ       LYS  45  16.715   7.393  -2.511
  472   3HZ   LYS  45          2HZ       LYS  45  17.872   8.395  -3.277
  473    QB   LYS  45           QB       LYS  45  19.131   8.573   2.540
  474    QG   LYS  45           QG       LYS  45  18.250  10.133   0.937
  475    QD   LYS  45           QD       LYS  45  18.965   8.082  -0.218
  476    QE   LYS  45           QE       LYS  45  17.098   9.337  -1.250
  477    QZ   LYS  45           QZ       LYS  45  17.653   7.661  -2.657
  478    H    GLU  46           HN       GLU  46  18.599   8.932   4.958
  479    HA   GLU  46           HA       GLU  46  18.990   6.473   6.159
  480   1HB   GLU  46          2HB       GLU  46  18.323   8.763   7.990
  481   2HB   GLU  46          3HB       GLU  46  19.688   7.663   8.047
  482   1HG   GLU  46          2HG       GLU  46  20.715   9.667   7.371
  483   2HG   GLU  46          3HG       GLU  46  20.435   8.885   5.823
  484    QB   GLU  46           QB       GLU  46  19.005   8.213   8.018
  485    QG   GLU  46           QG       GLU  46  20.575   9.276   6.597
  486    H    ASP  47           HN       ASP  47  16.219   8.677   6.698
  487    HA   ASP  47           HA       ASP  47  14.891   6.946   8.565
  488   1HB   ASP  47          2HB       ASP  47  14.343   9.368   8.291
  489   2HB   ASP  47          3HB       ASP  47  13.641   9.014   6.718
  490    QB   ASP  47           QB       ASP  47  13.992   9.191   7.504
  491    H    LEU  48           HN       LEU  48  14.181   7.506   5.080
  492    HA   LEU  48           HA       LEU  48  12.208   5.474   4.903
  493   1HB   LEU  48          2HB       LEU  48  13.646   7.191   3.088
  494   2HB   LEU  48          3HB       LEU  48  13.643   5.578   2.410
  495    HG   LEU  48           HG       LEU  48  11.211   7.102   3.396
  496   1HD1  LEU  48          2HD1      LEU  48  12.144   7.967   1.283
  497   2HD1  LEU  48          3HD1      LEU  48  12.062   6.349   0.591
  498   3HD1  LEU  48          1HD1      LEU  48  10.579   7.198   1.024
  499   1HD2  LEU  48          2HD2      LEU  48  11.390   4.402   2.029
  500   2HD2  LEU  48          3HD2      LEU  48  10.897   4.672   3.690
  501   3HD2  LEU  48          1HD2      LEU  48   9.897   5.258   2.368
  502    QB   LEU  48           QB       LEU  48  13.645   6.384   2.749
  503    QD1  LEU  48           QD1      LEU  48  11.595   7.171   0.966
  504    QD2  LEU  48           QD2      LEU  48  10.728   4.777   2.695
  505    QQD  LEU  48           QQD      LEU  48  11.162   5.974   1.831
  506    H    GLN  49           HN       GLN  49  15.716   5.243   4.528
  507    HA   GLN  49           HA       GLN  49  15.739   2.509   3.678
  508   1HB   GLN  49          2HB       GLN  49  17.716   4.230   3.786
  509   2HB   GLN  49          3HB       GLN  49  17.883   3.704   5.459
  510   1HG   GLN  49          2HG       GLN  49  18.157   1.376   4.742
  511   2HG   GLN  49          3HG       GLN  49  17.843   1.823   3.068
  512   1HE2  GLN  49          2HE2      GLN  49  21.096   3.060   2.505
  513   2HE2  GLN  49          1HE2      GLN  49  19.513   2.926   1.898
  514    QB   GLN  49           QB       GLN  49  17.800   3.967   4.622
  515    QG   GLN  49           QG       GLN  49  18.000   1.599   3.905
  516    QE2  GLN  49           QE2      GLN  49  20.304   2.993   2.201
  517    H    GLN  50           HN       GLN  50  15.898   4.101   6.830
  518    HA   GLN  50           HA       GLN  50  16.011   1.832   8.494
  519   1HB   GLN  50          2HB       GLN  50  16.140   4.288   9.168
  520   2HB   GLN  50          3HB       GLN  50  14.393   4.349   9.044
  521   1HG   GLN  50          2HG       GLN  50  14.175   2.579  10.731
  522   2HG   GLN  50          3HG       GLN  50  15.924   2.446  10.849
  523   1HE2  GLN  50          2HE2      GLN  50  15.253   6.188  12.022
  524   2HE2  GLN  50          1HE2      GLN  50  15.386   5.706  10.402
  525    QB   GLN  50           QB       GLN  50  15.266   4.318   9.106
  526    QG   GLN  50           QG       GLN  50  15.050   2.512  10.790
  527    QE2  GLN  50           QE2      GLN  50  15.320   5.947  11.212
  528    H    LYS  51           HN       LYS  51  13.270   3.453   7.023
  529    HA   LYS  51           HA       LYS  51  11.199   1.835   8.138
  530   1HB   LYS  51          2HB       LYS  51  11.290   3.261   5.448
  531   2HB   LYS  51          3HB       LYS  51   9.834   2.688   6.221
  532   1HG   LYS  51          2HG       LYS  51  11.712   4.690   7.500
  533   2HG   LYS  51          3HG       LYS  51  10.302   5.154   6.573
  534   1HD   LYS  51          2HD       LYS  51   8.893   3.795   8.151
  535   2HD   LYS  51          3HD       LYS  51  10.329   3.477   9.114
  536   1HE   LYS  51          2HE       LYS  51   9.203   6.229   8.495
  537   2HE   LYS  51          3HE       LYS  51   9.021   5.379  10.022
  538   1HZ   LYS  51          3HZ       LYS  51  11.769   5.514   9.300
  539   2HZ   LYS  51          1HZ       LYS  51  11.077   7.059   9.240
  540   3HZ   LYS  51          2HZ       LYS  51  10.993   6.153  10.676
  541    QB   LYS  51           QB       LYS  51  10.562   2.975   5.834
  542    QG   LYS  51           QG       LYS  51  11.007   4.922   7.036
  543    QD   LYS  51           QD       LYS  51   9.611   3.636   8.632
  544    QE   LYS  51           QE       LYS  51   9.112   5.804   9.259
  545    QZ   LYS  51           QZ       LYS  51  11.279   6.242   9.739
  546    H    ALA  52           HN       ALA  52  12.773   1.541   4.955
  547    HA   ALA  52           HA       ALA  52  11.418  -0.891   4.247
  548   1HB   ALA  52          2HB       ALA  52  12.436   0.576   2.572
  549   2HB   ALA  52          3HB       ALA  52  14.043   0.213   3.199
  550   3HB   ALA  52          1HB       ALA  52  13.083  -1.053   2.438
  551    QB   ALA  52           QB       ALA  52  13.187  -0.088   2.736
  552    H    GLY  53           HN       GLY  53  14.734  -0.432   5.559
  553   1HA   GLY  53          1HA       GLY  53  15.307  -2.190   7.307
  554   2HA   GLY  53          2HA       GLY  53  14.708  -3.376   6.161
  555    QA   GLY  53           QA       GLY  53  15.008  -2.783   6.734
  556    H    LYS  54           HN       LYS  54  15.869  -2.500   3.826
  557    HA   LYS  54           HA       LYS  54  18.776  -2.929   4.422
  558   1HB   LYS  54          2HB       LYS  54  17.135  -3.677   1.964
  559   2HB   LYS  54          3HB       LYS  54  18.873  -3.880   2.091
  560   1HG   LYS  54          2HG       LYS  54  18.660  -5.533   3.809
  561   2HG   LYS  54          3HG       LYS  54  16.987  -5.102   4.127
  562   1HD   LYS  54          2HD       LYS  54  17.038  -7.190   2.861
  563   2HD   LYS  54          3HD       LYS  54  16.368  -5.921   1.844
  564   1HE   LYS  54          2HE       LYS  54  18.558  -5.618   0.745
  565   2HE   LYS  54          3HE       LYS  54  19.267  -6.849   1.784
  566   1HZ   LYS  54          3HZ       LYS  54  16.976  -7.932   0.558
  567   2HZ   LYS  54          1HZ       LYS  54  17.924  -7.198  -0.646
  568   3HZ   LYS  54          2HZ       LYS  54  18.597  -8.386   0.357
  569    QB   LYS  54           QB       LYS  54  18.004  -3.778   2.028
  570    QG   LYS  54           QG       LYS  54  17.823  -5.317   3.968
  571    QD   LYS  54           QD       LYS  54  16.703  -6.556   2.352
  572    QE   LYS  54           QE       LYS  54  18.912  -6.233   1.264
  573    QZ   LYS  54           QZ       LYS  54  17.832  -7.838   0.090
  574    HA   PRO  55           HA       PRO  55  19.645   0.441   1.291
  575   1HB   PRO  55          2HB       PRO  55  21.259  -1.800   0.123
  576   2HB   PRO  55          3HB       PRO  55  21.697  -0.103   0.358
  577   1HG   PRO  55          2HG       PRO  55  22.649  -2.069   1.998
  578   2HG   PRO  55          3HG       PRO  55  22.326  -0.436   2.593
  579   1HD   PRO  55          2HD       PRO  55  20.757  -2.948   3.035
  580   2HD   PRO  55          3HD       PRO  55  20.873  -1.503   4.061
  581    QB   PRO  55           QB       PRO  55  21.478  -0.952   0.240
  582    QG   PRO  55           QG       PRO  55  22.488  -1.252   2.296
  583    QD   PRO  55           QD       PRO  55  20.815  -2.225   3.548
  584    H    VAL  56           HN       VAL  56  17.277  -0.274   1.083
  585    HA   VAL  56           HA       VAL  56  16.890  -1.292  -1.673
  586    HB   VAL  56           HB       VAL  56  16.661  -3.216  -0.120
  587   1HG1  VAL  56          2HG1      VAL  56  15.814  -1.906   1.806
  588   2HG1  VAL  56          3HG1      VAL  56  14.301  -1.655   0.952
  589   3HG1  VAL  56          1HG1      VAL  56  14.775  -3.278   1.432
  590   1HG2  VAL  56          3HG2      VAL  56  15.410  -3.176  -2.250
  591   2HG2  VAL  56          1HG2      VAL  56  14.483  -3.995  -0.998
  592   3HG2  VAL  56          2HG2      VAL  56  14.071  -2.351  -1.463
  593    QG1  VAL  56           QG1      VAL  56  14.963  -2.280   1.397
  594    QG2  VAL  56           QG2      VAL  56  14.655  -3.174  -1.570
  595    QQG  VAL  56           QQG      VAL  56  14.809  -2.727  -0.087
  596    H    GLU  57           HN       GLU  57  16.900   1.296  -0.993
  597    HA   GLU  57           HA       GLU  57  14.199   2.218  -0.308
  598   1HB   GLU  57          2HB       GLU  57  16.335   3.464   0.353
  599   2HB   GLU  57          3HB       GLU  57  16.506   3.898  -1.344
  600   1HG   GLU  57          2HG       GLU  57  14.011   4.731  -1.102
  601   2HG   GLU  57          3HG       GLU  57  14.383   4.757   0.621
  602    QB   GLU  57           QB       GLU  57  16.420   3.681  -0.495
  603    QG   GLU  57           QG       GLU  57  14.197   4.744  -0.241
  604    H    THR  58           HN       THR  58  13.402   0.913  -2.141
  605    HA   THR  58           HA       THR  58  13.677   2.287  -4.767
  606    HB   THR  58           HB       THR  58  12.444   0.152  -5.554
  607    HG1  THR  58          1HG       THR  58  11.506  -0.166  -3.466
  608   1HG2  THR  58          3HG2      THR  58  15.009   0.233  -5.469
  609   2HG2  THR  58          1HG2      THR  58  14.912  -0.396  -3.826
  610   3HG2  THR  58          2HG2      THR  58  14.349  -1.374  -5.178
  611    QG2  THR  58           QG2      THR  58  14.757  -0.512  -4.824
  612    H    VAL  59           HN       VAL  59  12.251   4.051  -4.633
  613    HA   VAL  59           HA       VAL  59   9.670   3.736  -3.356
  614    HB   VAL  59           HB       VAL  59   9.137   5.977  -4.494
  615   1HG1  VAL  59          2HG1      VAL  59  11.647   5.756  -2.796
  616   2HG1  VAL  59          3HG1      VAL  59  10.677   7.211  -2.993
  617   3HG1  VAL  59          1HG1      VAL  59   9.998   5.802  -2.185
  618   1HG2  VAL  59          3HG2      VAL  59  10.726   5.703  -6.397
  619   2HG2  VAL  59          1HG2      VAL  59  11.042   7.176  -5.486
  620   3HG2  VAL  59          2HG2      VAL  59  12.072   5.772  -5.265
  621    QG1  VAL  59           QG1      VAL  59  10.774   6.256  -2.658
  622    QG2  VAL  59           QG2      VAL  59  11.280   6.217  -5.716
  623    QQG  VAL  59           QQG      VAL  59  11.027   6.237  -4.187
  624    HA   PRO  60           HA       PRO  60   7.765   4.306  -3.393
  625   1HB   PRO  60          2HB       PRO  60   5.266   3.070  -3.592
  626   2HB   PRO  60          3HB       PRO  60   5.647   4.663  -4.235
  627   1HG   PRO  60          2HG       PRO  60   5.068   2.234  -5.712
  628   2HG   PRO  60          3HG       PRO  60   5.352   3.854  -6.352
  629   1HD   PRO  60          2HD       PRO  60   7.215   1.556  -6.209
  630   2HD   PRO  60          3HD       PRO  60   7.366   3.048  -7.164
  631    QB   PRO  60           QB       PRO  60   5.456   3.867  -3.913
  632    QG   PRO  60           QG       PRO  60   5.210   3.044  -6.032
  633    QD   PRO  60           QD       PRO  60   7.291   2.302  -6.687
  634    H    GLN  61           HN       GLN  61   7.879   3.337  -1.344
  635    HA   GLN  61           HA       GLN  61   8.040   0.338  -1.343
  636   1HB   GLN  61          2HB       GLN  61   8.810   2.348   0.810
  637   2HB   GLN  61          3HB       GLN  61   8.850   0.607   1.034
  638   1HG   GLN  61          2HG       GLN  61  11.016   0.774   0.318
  639   2HG   GLN  61          3HG       GLN  61  10.306   0.889  -1.291
  640   1HE2  GLN  61          2HE2      GLN  61  12.330   4.030   0.059
  641   2HE2  GLN  61          1HE2      GLN  61  12.403   2.497   0.799
  642    QB   GLN  61           QB       GLN  61   8.830   1.478   0.922
  643    QG   GLN  61           QG       GLN  61  10.661   0.832  -0.487
  644    QE2  GLN  61           QE2      GLN  61  12.367   3.264   0.429
  645    H    ILE  62           HN       ILE  62   6.578  -0.845  -0.129
  646    HA   ILE  62           HA       ILE  62   4.300   0.748   0.984
  647    HB   ILE  62           HB       ILE  62   4.258  -2.019  -0.289
  648   1HG1  ILE  62          2HG1      ILE  62   2.504  -0.736  -1.748
  649   2HG1  ILE  62          3HG1      ILE  62   3.255   0.718  -1.110
  650   1HG2  ILE  62          3HG2      ILE  62   2.024  -0.416   1.022
  651   2HG2  ILE  62          1HG2      ILE  62   1.796  -1.910   0.123
  652   3HG2  ILE  62          2HG2      ILE  62   2.702  -1.924   1.629
  653   1HD1  ILE  62          1HD1      ILE  62   4.713  -1.498  -2.574
  654   2HD1  ILE  62          2HD1      ILE  62   4.261   0.058  -3.268
  655   3HD1  ILE  62          3HD1      ILE  62   5.445  -0.017  -1.978
  656    QG1  ILE  62           QG1      ILE  62   2.880  -0.009  -1.429
  657    QG2  ILE  62           QG2      ILE  62   2.174  -1.417   0.925
  658    QD1  ILE  62           QD1      ILE  62   4.806  -0.486  -2.607
  659    H    PHE  63           HN       PHE  63   3.486   0.224   2.839
  660    HA   PHE  63           HA       PHE  63   4.817  -1.868   4.510
  661   1HB   PHE  63          2HB       PHE  63   4.090   0.980   5.324
  662   2HB   PHE  63          3HB       PHE  63   4.713  -0.258   6.419
  663    HD1  PHE  63          1HD       PHE  63   7.040  -1.035   6.223
  664    HD2  PHE  63          2HD       PHE  63   5.548   2.008   3.644
  665    HE1  PHE  63          1HE       PHE  63   9.313  -0.596   5.424
  666    HE2  PHE  63          2HE       PHE  63   7.819   2.445   2.852
  667    HZ   PHE  63           HZ       PHE  63   9.717   1.174   3.757
  668    QB   PHE  63           QB       PHE  63   4.402   0.361   5.872
  669    QR   PHE  63           QR       PHE  63   7.430   0.705   4.536
  670    H    VAL  64           HN       VAL  64   3.479  -2.818   6.021
  671    HA   VAL  64           HA       VAL  64   0.541  -2.228   5.763
  672    HB   VAL  64           HB       VAL  64   2.004  -4.901   6.017
  673   1HG1  VAL  64          1HG1      VAL  64  -0.994  -4.370   6.048
  674   2HG1  VAL  64          2HG1      VAL  64  -0.240  -5.957   5.972
  675   3HG1  VAL  64          3HG1      VAL  64  -0.041  -4.963   7.407
  676   1HG2  VAL  64          3HG2      VAL  64   1.873  -3.896   3.740
  677   2HG2  VAL  64          1HG2      VAL  64   0.922  -5.372   3.852
  678   3HG2  VAL  64          2HG2      VAL  64   0.124  -3.803   3.890
  679    QG1  VAL  64           QG1      VAL  64  -0.425  -5.097   6.475
  680    QG2  VAL  64           QG2      VAL  64   0.973  -4.357   3.827
  681    QQG  VAL  64           QQG      VAL  64   0.274  -4.727   5.151
  682    H    ASP  65           HN       ASP  65  -0.158  -1.455   7.659
  683    HA   ASP  65           HA       ASP  65  -0.303  -1.020   9.950
  684   1HB   ASP  65          2HB       ASP  65   1.176  -3.653  10.316
  685   2HB   ASP  65          3HB       ASP  65   0.084  -2.878  11.452
  686    QB   ASP  65           QB       ASP  65   0.630  -3.265  10.884
  687    H    GLN  66           HN       GLN  66   2.628  -2.794  10.254
  688    HA   GLN  66           HA       GLN  66   4.299  -0.375  10.195
  689   1HB   GLN  66          2HB       GLN  66   5.335  -0.829  12.384
  690   2HB   GLN  66          3HB       GLN  66   3.609  -0.558  12.568
  691   1HG   GLN  66          2HG       GLN  66   3.254  -3.037  12.618
  692   2HG   GLN  66          3HG       GLN  66   4.998  -3.264  12.517
  693   1HE2  GLN  66          2HE2      GLN  66   3.364  -2.504  16.088
  694   2HE2  GLN  66          1HE2      GLN  66   2.440  -2.884  14.716
  695    QB   GLN  66           QB       GLN  66   4.472  -0.694  12.476
  696    QG   GLN  66           QG       GLN  66   4.126  -3.150  12.567
  697    QE2  GLN  66           QE2      GLN  66   2.902  -2.694  15.402
  698    H    GLN  67           HN       GLN  67   3.799  -3.320   9.092
  699    HA   GLN  67           HA       GLN  67   6.516  -4.422   9.244
  700   1HB   GLN  67          2HB       GLN  67   4.195  -5.501   7.608
  701   2HB   GLN  67          3HB       GLN  67   5.520  -6.381   8.324
  702   1HG   GLN  67          2HG       GLN  67   4.585  -5.961  10.593
  703   2HG   GLN  67          3HG       GLN  67   3.237  -5.102   9.858
  704   1HE2  GLN  67          2HE2      GLN  67   1.447  -8.119   9.420
  705   2HE2  GLN  67          1HE2      GLN  67   1.385  -6.441   9.694
  706    QB   GLN  67           QB       GLN  67   4.857  -5.941   7.966
  707    QG   GLN  67           QG       GLN  67   3.911  -5.532  10.226
  708    QE2  GLN  67           QE2      GLN  67   1.416  -7.280   9.557
  709    H    HIS  68           HN       HIS  68   7.540  -5.026   7.120
  710    HA   HIS  68           HA       HIS  68   6.959  -2.935   5.051
  711   1HB   HIS  68          2HB       HIS  68   9.222  -2.838   6.071
  712   2HB   HIS  68          3HB       HIS  68   9.501  -4.493   5.598
  713    HD1  HIS  68           HD1      HIS  68  11.478  -3.708   4.154
  714    HD2  HIS  68           HD2      HIS  68   7.955  -1.996   2.931
  715    HE1  HIS  68           HE1      HIS  68  11.804  -3.018   1.748
  716    QB   HIS  68           QB       HIS  68   9.361  -3.666   5.835
  717    H    ILE  69           HN       ILE  69   6.492  -3.607   2.985
  718    HA   ILE  69           HA       ILE  69   6.354  -6.569   2.577
  719    HB   ILE  69           HB       ILE  69   4.957  -4.415   0.954
  720   1HG1  ILE  69          2HG1      ILE  69   4.183  -4.176   3.259
  721   2HG1  ILE  69          3HG1      ILE  69   2.929  -4.937   2.291
  722   1HG2  ILE  69          3HG2      ILE  69   4.520  -7.399   1.307
  723   2HG2  ILE  69          1HG2      ILE  69   3.452  -6.342   0.398
  724   3HG2  ILE  69          2HG2      ILE  69   5.107  -6.591  -0.141
  725   1HD1  ILE  69          3HD1      ILE  69   4.865  -6.421   4.113
  726   2HD1  ILE  69          1HD1      ILE  69   3.180  -6.078   4.478
  727   3HD1  ILE  69          2HD1      ILE  69   3.588  -7.159   3.158
  728    QG1  ILE  69           QG1      ILE  69   3.556  -4.557   2.775
  729    QG2  ILE  69           QG2      ILE  69   4.359  -6.777   0.522
  730    QD1  ILE  69           QD1      ILE  69   3.878  -6.553   3.916
  731    H    GLY  70           HN       GLY  70   7.241  -3.547   1.041
  732   1HA   GLY  70          1HA       GLY  70   9.581  -3.775  -0.078
  733   2HA   GLY  70          2HA       GLY  70   8.819  -5.060  -1.007
  734    QA   GLY  70           QA       GLY  70   9.200  -4.417  -0.543
  735    H    GLY  71           HN       GLY  71   8.582  -4.223  -3.040
  736   1HA   GLY  71          1HA       GLY  71   7.561  -1.412  -3.286
  737   2HA   GLY  71          2HA       GLY  71   8.404  -2.296  -4.557
  738    QA   GLY  71           QA       GLY  71   7.982  -1.854  -3.921
  739    OH   TYR  72           OH       TYR  72  -0.926  -3.991  -8.745
  740    H    TYR  72           HN       TYR  72   6.141  -1.269  -5.460
  741    HA   TYR  72           HA       TYR  72   3.680  -2.456  -4.988
  742   1HB   TYR  72          2HB       TYR  72   3.918  -0.715  -6.707
  743   2HB   TYR  72          3HB       TYR  72   4.772  -1.847  -7.761
  744    HD1  TYR  72           HD2      TYR  72   1.672  -1.976  -5.638
  745    HD2  TYR  72           HD1      TYR  72   3.363  -2.687  -9.477
  746    HE1  TYR  72           HE2      TYR  72  -0.436  -3.008  -6.372
  747    HE2  TYR  72           HE1      TYR  72   1.262  -3.731 -10.200
  748    HH   TYR  72           HH       TYR  72  -1.265  -4.524  -8.014
  749    QB   TYR  72           QB       TYR  72   4.345  -1.281  -7.234
  750    QR   TYR  72           QR       TYR  72   1.465  -2.850  -7.922
  751    H    THR  73           HN       THR  73   6.359  -3.884  -6.791
  752    HA   THR  73           HA       THR  73   5.076  -6.160  -7.863
  753    HB   THR  73           HB       THR  73   7.493  -7.188  -7.505
  754    HG1  THR  73          1HG       THR  73   8.474  -5.978  -5.998
  755   1HG2  THR  73          1HG2      THR  73   7.271  -4.427  -8.808
  756   2HG2  THR  73          2HG2      THR  73   8.483  -5.649  -9.174
  757   3HG2  THR  73          3HG2      THR  73   6.799  -5.919  -9.615
  758    QG2  THR  73           QG2      THR  73   7.517  -5.332  -9.199
  759    H    ASP  74           HN       ASP  74   6.987  -6.032  -4.891
  760    HA   ASP  74           HA       ASP  74   6.161  -8.545  -3.865
  761   1HB   ASP  74          2HB       ASP  74   6.804  -6.126  -2.144
  762   2HB   ASP  74          3HB       ASP  74   7.068  -7.824  -1.757
  763    QB   ASP  74           QB       ASP  74   6.936  -6.975  -1.950
  764    H    PHE  75           HN       PHE  75   4.909  -5.302  -3.313
  765    HA   PHE  75           HA       PHE  75   2.876  -5.831  -1.494
  766   1HB   PHE  75          2HB       PHE  75   3.399  -3.566  -2.316
  767   2HB   PHE  75          3HB       PHE  75   2.716  -3.970  -3.887
  768    HD1  PHE  75          2HD       PHE  75   1.664  -4.387  -0.301
  769    HD2  PHE  75          1HD       PHE  75   0.566  -3.108  -4.206
  770    HE1  PHE  75          2HE       PHE  75  -0.557  -3.779   0.530
  771    HE2  PHE  75          1HE       PHE  75  -1.650  -2.471  -3.370
  772    HZ   PHE  75           HZ       PHE  75  -2.208  -2.810  -1.006
  773    QB   PHE  75           QB       PHE  75   3.058  -3.768  -3.101
  774    QR   PHE  75           QR       PHE  75   0.006  -3.436  -1.837
  775    H    ALA  76           HN       ALA  76   2.567  -6.076  -5.052
  776    HA   ALA  76           HA       ALA  76  -0.115  -7.012  -5.043
  777   1HB   ALA  76          2HB       ALA  76   1.064  -6.355  -7.120
  778   2HB   ALA  76          3HB       ALA  76   2.109  -7.762  -6.975
  779   3HB   ALA  76          1HB       ALA  76   0.386  -7.973  -7.275
  780    QB   ALA  76           QB       ALA  76   1.186  -7.364  -7.123
  781    H    ALA  77           HN       ALA  77   2.909  -8.909  -5.120
  782    HA   ALA  77           HA       ALA  77   1.732 -11.482  -4.965
  783   1HB   ALA  77          3HB       ALA  77   4.317 -10.557  -3.647
  784   2HB   ALA  77          1HB       ALA  77   3.871 -12.236  -3.951
  785   3HB   ALA  77          2HB       ALA  77   4.162 -11.144  -5.300
  786    QB   ALA  77           QB       ALA  77   4.117 -11.312  -4.299
  787    CH2  TRP  78           CH2      TRP  78  -1.224  -7.261   3.743
  788    H    TRP  78           HN       TRP  78   2.900  -9.479  -2.302
  789    HA   TRP  78           HA       TRP  78   2.132 -11.079  -0.112
  790   1HB   TRP  78          2HB       TRP  78   3.404  -8.956   0.085
  791   2HB   TRP  78          3HB       TRP  78   1.978  -8.065  -0.344
  792    HD1  TRP  78           HD1      TRP  78   3.464 -10.024   2.652
  793    HE1  TRP  78           HE1      TRP  78   2.142  -9.517   4.719
  794    HE3  TRP  78           HE3      TRP  78  -0.145  -7.331   0.527
  795    HZ2  TRP  78           HZ2      TRP  78  -0.238  -8.124   5.419
  796    HZ3  TRP  78           HZ3      TRP  78  -2.009  -6.492   1.913
  797    HH2  TRP  78           HH2      TRP  78  -2.039  -6.873   4.337
  798    QB   TRP  78           QB       TRP  78   2.691  -8.510  -0.129
  799    H    VAL  79           HN       VAL  79   0.303  -8.427  -1.611
  800    HA   VAL  79           HA       VAL  79  -2.109  -8.667  -0.241
  801    HB   VAL  79           HB       VAL  79  -1.524  -8.000  -3.149
  802   1HG1  VAL  79          2HG1      VAL  79  -4.194  -7.902  -1.701
  803   2HG1  VAL  79          3HG1      VAL  79  -3.885  -7.142  -3.258
  804   3HG1  VAL  79          1HG1      VAL  79  -3.811  -8.891  -3.101
  805   1HG2  VAL  79          3HG2      VAL  79  -0.783  -6.370  -1.432
  806   2HG2  VAL  79          1HG2      VAL  79  -2.087  -5.704  -2.405
  807   3HG2  VAL  79          2HG2      VAL  79  -2.414  -6.308  -0.784
  808    QG1  VAL  79           QG1      VAL  79  -3.963  -7.978  -2.687
  809    QG2  VAL  79           QG2      VAL  79  -1.762  -6.128  -1.541
  810    QQG  VAL  79           QQG      VAL  79  -2.862  -7.053  -2.114
  811    H    LYS  80           HN       LYS  80  -1.146 -10.354  -3.199
  812    HA   LYS  80           HA       LYS  80  -3.460 -11.950  -3.442
  813   1HB   LYS  80          2HB       LYS  80  -1.575 -11.619  -5.125
  814   2HB   LYS  80          3HB       LYS  80  -0.665 -12.826  -4.236
  815   1HG   LYS  80          2HG       LYS  80  -3.318 -13.861  -4.702
  816   2HG   LYS  80          3HG       LYS  80  -2.713 -13.221  -6.217
  817   1HD   LYS  80          2HD       LYS  80  -2.038 -15.537  -6.111
  818   2HD   LYS  80          3HD       LYS  80  -0.600 -14.558  -5.885
  819   1HE   LYS  80          2HE       LYS  80  -0.725 -16.467  -4.278
  820   2HE   LYS  80          3HE       LYS  80  -0.668 -14.914  -3.469
  821   1HZ   LYS  80          3HZ       LYS  80  -3.369 -15.594  -3.993
  822   2HZ   LYS  80          1HZ       LYS  80  -2.638 -16.903  -3.215
  823   3HZ   LYS  80          2HZ       LYS  80  -2.621 -15.366  -2.502
  824    QB   LYS  80           QB       LYS  80  -1.120 -12.223  -4.681
  825    QG   LYS  80           QG       LYS  80  -3.016 -13.541  -5.459
  826    QD   LYS  80           QD       LYS  80  -1.319 -15.048  -5.998
  827    QE   LYS  80           QE       LYS  80  -0.697 -15.690  -3.873
  828    QZ   LYS  80           QZ       LYS  80  -2.876 -15.955  -3.237
  829    H    GLU  81           HN       GLU  81  -0.362 -12.973  -1.904
  830    HA   GLU  81           HA       GLU  81  -1.533 -15.540  -1.130
  831   1HB   GLU  81          2HB       GLU  81   0.627 -15.669   0.322
  832   2HB   GLU  81          3HB       GLU  81   0.764 -15.736  -1.422
  833   1HG   GLU  81          2HG       GLU  81   1.655 -13.588  -1.578
  834   2HG   GLU  81          3HG       GLU  81   0.948 -13.064  -0.056
  835    QB   GLU  81           QB       GLU  81   0.696 -15.702  -0.550
  836    QG   GLU  81           QG       GLU  81   1.301 -13.326  -0.817
  837    H    ASN  82           HN       ASN  82  -1.210 -12.501   0.572
  838    HA   ASN  82           HA       ASN  82  -2.015 -13.833   3.090
  839   1HB   ASN  82          2HB       ASN  82  -1.386 -10.943   2.398
  840   2HB   ASN  82          3HB       ASN  82  -1.896 -11.470   4.005
  841   1HD2  ASN  82          2HD2      ASN  82   1.758 -12.686   2.549
  842   2HD2  ASN  82          1HD2      ASN  82   0.576 -12.061   1.501
  843    QB   ASN  82           QB       ASN  82  -1.641 -11.207   3.201
  844    QD2  ASN  82           QD2      ASN  82   1.167 -12.373   2.025
  845    H    LEU  83           HN       LEU  83  -3.361 -11.843   0.578
  846    HA   LEU  83           HA       LEU  83  -6.040 -12.002   1.912
  847   1HB   LEU  83          2HB       LEU  83  -5.242 -10.081  -0.246
  848   2HB   LEU  83          3HB       LEU  83  -6.620  -9.946   0.834
  849    HG   LEU  83           HG       LEU  83  -3.686  -9.660   1.613
  850   1HD1  LEU  83          1HD1      LEU  83  -5.967  -7.650   1.547
  851   2HD1  LEU  83          2HD1      LEU  83  -4.334  -7.323   2.121
  852   3HD1  LEU  83          3HD1      LEU  83  -4.607  -7.707   0.427
  853   1HD2  LEU  83          1HD2      LEU  83  -6.192  -9.434   3.327
  854   2HD2  LEU  83          2HD2      LEU  83  -4.976 -10.699   3.449
  855   3HD2  LEU  83          3HD2      LEU  83  -4.561  -9.043   3.858
  856    QB   LEU  83           QB       LEU  83  -5.931 -10.013   0.294
  857    QD1  LEU  83           QD1      LEU  83  -4.969  -7.560   1.365
  858    QD2  LEU  83           QD2      LEU  83  -5.243  -9.725   3.545
  859    QQD  LEU  83           QQD      LEU  83  -5.106  -8.642   2.455
  860    H    ASP  84           HN       ASP  84  -5.227 -14.130   0.653
  861    HA   ASP  84           HA       ASP  84  -5.926 -14.177  -2.166
  862   1HB   ASP  84          2HB       ASP  84  -4.421 -15.802  -0.551
  863   2HB   ASP  84          3HB       ASP  84  -5.902 -16.732  -0.609
  864    QB   ASP  84           QB       ASP  84  -5.161 -16.267  -0.580
  865    H    ALA  85           HN       ALA  85  -7.965 -12.992  -0.944
  866    HA   ALA  85           HA       ALA  85 -10.327 -14.043  -1.825
  867   1HB   ALA  85          3HB       ALA  85  -9.896 -14.977   1.041
  868   2HB   ALA  85          1HB       ALA  85 -11.434 -15.023   0.189
  869   3HB   ALA  85          2HB       ALA  85 -10.098 -16.021  -0.363
  870    QB   ALA  85           QB       ALA  85 -10.476 -15.340   0.289
   
  Start of MODEL          10
 Raw file had 870 H/Q atoms
  Start of MODEL   10
    1    H    MET   1           HN       MET   1  -6.048  -4.706   6.752
    2    HA   MET   1           HA       MET   1  -5.614  -2.994   8.962
    3   1HB   MET   1          2HB       MET   1  -3.563  -4.048   6.968
    4   2HB   MET   1          3HB       MET   1  -3.234  -3.461   8.584
    5   1HG   MET   1          2HG       MET   1  -4.795  -5.253   9.456
    6   2HG   MET   1          3HG       MET   1  -4.788  -5.935   7.850
    7   1HE   MET   1          1HE       MET   1  -2.063  -5.874   6.746
    8   2HE   MET   1          2HE       MET   1  -1.303  -7.334   7.365
    9   3HE   MET   1          3HE       MET   1  -2.979  -7.382   6.837
   10    QB   MET   1           QB       MET   1  -3.398  -3.755   7.776
   11    QG   MET   1           QG       MET   1  -4.791  -5.594   8.653
   12    QE   MET   1           QE       MET   1  -2.115  -6.863   6.983
   13    H    GLN   2           HN       GLN   2  -3.418  -1.344   8.435
   14    HA   GLN   2           HA       GLN   2  -4.566   0.615   6.577
   15   1HB   GLN   2          2HB       GLN   2  -4.331   1.207   9.054
   16   2HB   GLN   2          3HB       GLN   2  -2.584   1.053   8.846
   17   1HG   GLN   2          2HG       GLN   2  -2.714   2.728   6.990
   18   2HG   GLN   2          3HG       GLN   2  -4.425   2.914   7.342
   19   1HE2  GLN   2          2HE2      GLN   2  -1.812   4.228  10.247
   20   2HE2  GLN   2          1HE2      GLN   2  -1.481   2.780   9.422
   21    QB   GLN   2           QB       GLN   2  -3.457   1.130   8.950
   22    QG   GLN   2           QG       GLN   2  -3.569   2.821   7.166
   23    QE2  GLN   2           QE2      GLN   2  -1.647   3.504   9.835
   24    H    THR   3           HN       THR   3  -3.548   0.325   4.680
   25    HA   THR   3           HA       THR   3  -0.677  -0.417   4.614
   26    HB   THR   3           HB       THR   3  -2.635   0.062   2.310
   27    HG1  THR   3          1HG       THR   3  -3.546  -1.546   3.403
   28   1HG2  THR   3          2HG2      THR   3  -0.130  -0.254   1.770
   29   2HG2  THR   3          3HG2      THR   3  -0.241  -1.814   2.573
   30   3HG2  THR   3          1HG2      THR   3  -1.183  -1.506   1.119
   31    QG2  THR   3           QG2      THR   3  -0.518  -1.191   1.820
   32    H    VAL   4           HN       VAL   4   0.946   1.024   4.004
   33    HA   VAL   4           HA       VAL   4   0.042   3.784   3.245
   34    HB   VAL   4           HB       VAL   4   2.548   3.217   4.857
   35   1HG1  VAL   4          1HG1      VAL   4   2.404   5.385   3.654
   36   2HG1  VAL   4          2HG1      VAL   4   0.856   5.714   4.433
   37   3HG1  VAL   4          3HG1      VAL   4   2.327   5.625   5.395
   38   1HG2  VAL   4          1HG2      VAL   4   0.571   2.449   6.165
   39   2HG2  VAL   4          2HG2      VAL   4   1.283   3.896   6.867
   40   3HG2  VAL   4          3HG2      VAL   4  -0.193   4.012   5.914
   41    QG1  VAL   4           QG1      VAL   4   1.862   5.575   4.494
   42    QG2  VAL   4           QG2      VAL   4   0.554   3.452   6.316
   43    QQG  VAL   4           QQG      VAL   4   1.208   4.514   5.405
   44    H    ILE   5           HN       ILE   5   0.840   4.449   1.405
   45    HA   ILE   5           HA       ILE   5   3.158   2.967   0.206
   46    HB   ILE   5           HB       ILE   5   0.896   4.560  -1.076
   47   1HG1  ILE   5          2HG1      ILE   5   0.310   2.477  -2.205
   48   2HG1  ILE   5          3HG1      ILE   5   1.621   1.637  -1.397
   49   1HG2  ILE   5          2HG2      ILE   5   3.273   3.205  -2.406
   50   2HG2  ILE   5          3HG2      ILE   5   1.898   3.898  -3.261
   51   3HG2  ILE   5          1HG2      ILE   5   2.975   4.941  -2.341
   52   1HD1  ILE   5          1HD1      ILE   5  -0.709   2.947   0.041
   53   2HD1  ILE   5          2HD1      ILE   5  -0.631   1.235  -0.369
   54   3HD1  ILE   5          3HD1      ILE   5   0.522   1.911   0.757
   55    QG1  ILE   5           QG1      ILE   5   0.965   2.057  -1.801
   56    QG2  ILE   5           QG2      ILE   5   2.715   4.015  -2.669
   57    QD1  ILE   5           QD1      ILE   5  -0.273   2.031   0.143
   58    H    PHE   6           HN       PHE   6   4.953   4.094  -0.314
   59    HA   PHE   6           HA       PHE   6   4.951   7.069   0.051
   60   1HB   PHE   6          2HB       PHE   6   7.243   5.050   0.025
   61   2HB   PHE   6          3HB       PHE   6   7.460   6.777   0.153
   62    HD1  PHE   6          1HD       PHE   6   6.282   7.947   2.240
   63    HD2  PHE   6          2HD       PHE   6   6.999   3.757   1.954
   64    HE1  PHE   6          1HE       PHE   6   6.269   7.770   4.686
   65    HE2  PHE   6          2HE       PHE   6   7.052   3.599   4.407
   66    HZ   PHE   6           HZ       PHE   6   6.712   5.608   5.777
   67    QB   PHE   6           QB       PHE   6   7.351   5.913   0.089
   68    QR   PHE   6           QR       PHE   6   6.650   5.768   3.322
   69    H    GLY   7           HN       GLY   7   4.648   7.959  -1.967
   70   1HA   GLY   7          1HA       GLY   7   5.716   6.389  -4.286
   71   2HA   GLY   7          2HA       GLY   7   4.363   7.489  -4.400
   72    QA   GLY   7           QA       GLY   7   5.039   6.939  -4.343
   73    NH1  ARG   8           NH2      ARG   8  12.160   7.929  -7.113
   74    NH2  ARG   8           NH1      ARG   8  12.964   7.579  -9.208
   75    H    ARG   8           HN       ARG   8   5.563   8.194  -6.241
   76    HA   ARG   8           HA       ARG   8   7.831  10.042  -5.625
   77   1HB   ARG   8          2HB       ARG   8   7.744   8.009  -7.462
   78   2HB   ARG   8          3HB       ARG   8   7.194   9.341  -8.460
   79   1HG   ARG   8          2HG       ARG   8   9.204  10.641  -7.916
   80   2HG   ARG   8          3HG       ARG   8   9.734   9.396  -6.792
   81   1HD   ARG   8          2HD       ARG   8   9.719   7.766  -8.782
   82   2HD   ARG   8          3HD       ARG   8   9.496   9.179  -9.812
   83    HE   ARG   8           HE       ARG   8  11.708   9.990  -9.092
   84   1HH1  ARG   8          2HH2      ARG   8  11.513   8.400  -6.518
   85   2HH1  ARG   8          1HH2      ARG   8  12.787   7.246  -6.731
   86   1HH2  ARG   8          2HH1      ARG   8  12.942   7.806 -10.184
   87   2HH2  ARG   8          1HH1      ARG   8  13.589   6.871  -8.875
   88    QB   ARG   8           QB       ARG   8   7.469   8.675  -7.961
   89    QG   ARG   8           QG       ARG   8   9.469  10.018  -7.354
   90    QD   ARG   8           QD       ARG   8   9.607   8.473  -9.297
   91    QH1  ARG   8           QH2      ARG   8  12.150   7.823  -6.624
   92    QH2  ARG   8           QH1      ARG   8  13.265   7.338  -9.529
   93    H    SER   9           HN       SER   9   7.223  11.227  -8.434
   94    HA   SER   9           HA       SER   9   5.842  13.532  -7.598
   95   1HB   SER   9          2HB       SER   9   5.401  13.132 -10.427
   96   2HB   SER   9          3HB       SER   9   6.585  14.201  -9.651
   97    HG   SER   9           HG       SER   9   7.159  12.096 -10.987
   98    QB   SER   9           QB       SER   9   5.993  13.667 -10.039
   99    H    GLY  10           HN       GLY  10   3.825  14.316  -8.900
  100   1HA   GLY  10          1HA       GLY  10   1.591  12.678  -7.985
  101   2HA   GLY  10          2HA       GLY  10   1.468  14.246  -8.773
  102    QA   GLY  10           QA       GLY  10   1.530  13.462  -8.379
  103    H    CYS  11           HN       CYS  11   2.422  10.925  -9.476
  104    HA   CYS  11           HA       CYS  11   0.956  11.099 -12.074
  105   1HB   CYS  11          2HB       CYS  11   3.439  11.181 -12.387
  106   2HB   CYS  11          3HB       CYS  11   3.578   9.677 -11.509
  107    HG   CYS  11           HG       CYS  11   2.825   8.385 -13.519
  108    QB   CYS  11           QB       CYS  11   3.508  10.429 -11.948
  109    HA   PRO  12           HA       PRO  12  -0.815   7.290 -10.489
  110   1HB   PRO  12          2HB       PRO  12  -1.523   6.087 -12.876
  111   2HB   PRO  12          3HB       PRO  12  -2.469   7.348 -12.084
  112   1HG   PRO  12          2HG       PRO  12  -0.579   7.582 -14.419
  113   2HG   PRO  12          3HG       PRO  12  -2.092   8.445 -14.125
  114   1HD   PRO  12          2HD       PRO  12   0.408   9.555 -13.689
  115   2HD   PRO  12          3HD       PRO  12  -1.051  10.067 -12.812
  116    QB   PRO  12           QB       PRO  12  -1.996   6.717 -12.480
  117    QG   PRO  12           QG       PRO  12  -1.335   8.014 -14.272
  118    QD   PRO  12           QD       PRO  12  -0.322   9.811 -13.251
  119    OH   TYR  13           OH       TYR  13   8.660   2.563 -10.668
  120    H    TYR  13           HN       TYR  13   1.643   7.007 -10.045
  121    HA   TYR  13           HA       TYR  13   2.653   4.661 -11.615
  122   1HB   TYR  13          2HB       TYR  13   4.177   6.592 -11.580
  123   2HB   TYR  13          3HB       TYR  13   4.122   6.646  -9.831
  124    HD1  TYR  13           HD2      TYR  13   4.586   3.785 -12.259
  125    HD2  TYR  13           HD1      TYR  13   6.216   6.000  -9.005
  126    HE1  TYR  13           HE2      TYR  13   6.578   2.355 -12.270
  127    HE2  TYR  13           HE1      TYR  13   8.163   4.511  -8.973
  128    HH   TYR  13           HH       TYR  13   8.857   2.355 -11.591
  129    QB   TYR  13           QB       TYR  13   4.150   6.619 -10.706
  130    QR   TYR  13           QR       TYR  13   6.386   4.163 -10.627
  131    H    CYS  14           HN       CYS  14   3.820   5.424  -8.408
  132    HA   CYS  14           HA       CYS  14   3.478   2.830  -7.371
  133   1HB   CYS  14          2HB       CYS  14   3.256   5.353  -5.713
  134   2HB   CYS  14          3HB       CYS  14   3.749   3.778  -5.160
  135    HG   CYS  14           HG       CYS  14   5.571   5.858  -6.405
  136    QB   CYS  14           QB       CYS  14   3.502   4.566  -5.437
  137    H    VAL  15           HN       VAL  15   1.195   5.299  -7.911
  138    HA   VAL  15           HA       VAL  15  -0.878   4.868  -6.134
  139    HB   VAL  15           HB       VAL  15  -1.083   5.324  -9.141
  140   1HG1  VAL  15          3HG1      VAL  15  -3.240   4.534  -8.147
  141   2HG1  VAL  15          1HG1      VAL  15  -3.130   5.803  -6.933
  142   3HG1  VAL  15          2HG1      VAL  15  -3.336   6.220  -8.634
  143   1HG2  VAL  15          3HG2      VAL  15  -1.116   7.231  -6.755
  144   2HG2  VAL  15          1HG2      VAL  15   0.208   7.060  -7.903
  145   3HG2  VAL  15          2HG2      VAL  15  -1.339   7.705  -8.435
  146    QG1  VAL  15           QG1      VAL  15  -3.235   5.519  -7.905
  147    QG2  VAL  15           QG2      VAL  15  -0.749   7.332  -7.698
  148    QQG  VAL  15           QQG      VAL  15  -1.992   6.425  -7.801
  149    NH1  ARG  16           NH1      ARG  16  -4.248  -0.837 -10.861
  150    NH2  ARG  16           NH2      ARG  16  -4.134   0.329 -12.832
  151    H    ARG  16           HN       ARG  16   0.121   2.733  -8.783
  152    HA   ARG  16           HA       ARG  16  -2.090   1.058  -9.007
  153   1HB   ARG  16          2HB       ARG  16   0.675   0.948  -9.629
  154   2HB   ARG  16          3HB       ARG  16   0.359  -0.509  -8.704
  155   1HG   ARG  16          2HG       ARG  16   0.026  -0.908 -11.099
  156   2HG   ARG  16          3HG       ARG  16  -1.484  -1.089 -10.219
  157   1HD   ARG  16          2HD       ARG  16  -0.880   1.622 -11.354
  158   2HD   ARG  16          3HD       ARG  16  -1.335   0.359 -12.492
  159    HE   ARG  16           HE       ARG  16  -3.082   1.556 -10.420
  160   1HH1  ARG  16          2HH1      ARG  16  -3.938  -0.940  -9.914
  161   2HH1  ARG  16          1HH1      ARG  16  -4.931  -1.466 -11.231
  162   1HH2  ARG  16          2HH2      ARG  16  -3.721   1.074 -13.352
  163   2HH2  ARG  16          1HH2      ARG  16  -4.837  -0.239 -13.257
  164    QB   ARG  16           QB       ARG  16   0.517   0.219  -9.167
  165    QG   ARG  16           QG       ARG  16  -0.729  -0.998 -10.659
  166    QD   ARG  16           QD       ARG  16  -1.107   0.990 -11.923
  167    QH1  ARG  16           QH1      ARG  16  -4.435  -1.203 -10.572
  168    QH2  ARG  16           QH2      ARG  16  -4.279   0.418 -13.305
  169    H    ALA  17           HN       ALA  17   0.172   1.231  -6.304
  170    HA   ALA  17           HA       ALA  17  -0.869  -1.108  -4.952
  171   1HB   ALA  17          3HB       ALA  17   0.512   1.364  -3.839
  172   2HB   ALA  17          1HB       ALA  17   0.191  -0.101  -2.913
  173   3HB   ALA  17          2HB       ALA  17   1.296  -0.147  -4.279
  174    QB   ALA  17           QB       ALA  17   0.666   0.372  -3.677
  175    H    LYS  18           HN       LYS  18  -1.549   2.340  -4.896
  176    HA   LYS  18           HA       LYS  18  -3.582   2.362  -2.888
  177   1HB   LYS  18          2HB       LYS  18  -2.577   4.444  -3.949
  178   2HB   LYS  18          3HB       LYS  18  -3.493   4.093  -5.402
  179   1HG   LYS  18          2HG       LYS  18  -5.256   4.000  -3.097
  180   2HG   LYS  18          3HG       LYS  18  -4.377   5.512  -3.105
  181   1HD   LYS  18          2HD       LYS  18  -6.408   5.895  -4.334
  182   2HD   LYS  18          3HD       LYS  18  -5.113   5.840  -5.520
  183   1HE   LYS  18          2HE       LYS  18  -5.672   3.528  -6.074
  184   2HE   LYS  18          3HE       LYS  18  -6.888   3.482  -4.814
  185   1HZ   LYS  18          3HZ       LYS  18  -7.409   5.652  -6.511
  186   2HZ   LYS  18          1HZ       LYS  18  -7.148   4.256  -7.461
  187   3HZ   LYS  18          2HZ       LYS  18  -8.359   4.272  -6.236
  188    QB   LYS  18           QB       LYS  18  -3.035   4.268  -4.675
  189    QG   LYS  18           QG       LYS  18  -4.816   4.756  -3.101
  190    QD   LYS  18           QD       LYS  18  -5.761   5.867  -4.927
  191    QE   LYS  18           QE       LYS  18  -6.280   3.505  -5.444
  192    QZ   LYS  18           QZ       LYS  18  -7.639   4.726  -6.736
  193    H    ASP  19           HN       ASP  19  -3.710   1.903  -6.376
  194    HA   ASP  19           HA       ASP  19  -6.542   1.539  -6.595
  195   1HB   ASP  19          2HB       ASP  19  -4.304   0.407  -8.300
  196   2HB   ASP  19          3HB       ASP  19  -5.987   0.470  -8.779
  197    QB   ASP  19           QB       ASP  19  -5.145   0.439  -8.539
  198    H    LEU  20           HN       LEU  20  -3.993  -0.932  -6.664
  199    HA   LEU  20           HA       LEU  20  -5.619  -3.201  -6.498
  200   1HB   LEU  20          2HB       LEU  20  -3.261  -3.480  -6.846
  201   2HB   LEU  20          3HB       LEU  20  -2.851  -2.569  -5.405
  202    HG   LEU  20           HG       LEU  20  -3.673  -4.382  -3.967
  203   1HD1  LEU  20          3HD1      LEU  20  -4.453  -5.737  -6.580
  204   2HD1  LEU  20          1HD1      LEU  20  -4.546  -6.481  -4.988
  205   3HD1  LEU  20          2HD1      LEU  20  -5.577  -5.113  -5.376
  206   1HD2  LEU  20          2HD2      LEU  20  -1.354  -4.558  -4.855
  207   2HD2  LEU  20          3HD2      LEU  20  -2.071  -6.150  -4.628
  208   3HD2  LEU  20          1HD2      LEU  20  -1.961  -5.455  -6.244
  209    QB   LEU  20           QB       LEU  20  -3.056  -3.024  -6.126
  210    QD1  LEU  20           QD1      LEU  20  -4.859  -5.777  -5.648
  211    QD2  LEU  20           QD2      LEU  20  -1.795  -5.388  -5.242
  212    QQD  LEU  20           QQD      LEU  20  -3.327  -5.582  -5.445
  213    H    ALA  21           HN       ALA  21  -4.194  -1.403  -3.776
  214    HA   ALA  21           HA       ALA  21  -5.488  -2.935  -1.722
  215   1HB   ALA  21          2HB       ALA  21  -4.580  -0.023  -1.681
  216   2HB   ALA  21          3HB       ALA  21  -4.952  -0.989  -0.258
  217   3HB   ALA  21          1HB       ALA  21  -3.576  -1.403  -1.273
  218    QB   ALA  21           QB       ALA  21  -4.370  -0.805  -1.071
  219    H    GLU  22           HN       GLU  22  -6.371   0.123  -3.288
  220    HA   GLU  22           HA       GLU  22  -8.658   0.808  -1.873
  221   1HB   GLU  22          2HB       GLU  22  -7.724   2.147  -3.678
  222   2HB   GLU  22          3HB       GLU  22  -8.232   0.970  -4.871
  223   1HG   GLU  22          2HG       GLU  22 -10.555   1.464  -4.479
  224   2HG   GLU  22          3HG       GLU  22 -10.178   2.377  -3.019
  225    QB   GLU  22           QB       GLU  22  -7.978   1.558  -4.275
  226    QG   GLU  22           QG       GLU  22 -10.366   1.921  -3.749
  227    H    LYS  23           HN       LYS  23  -8.549  -1.438  -4.668
  228    HA   LYS  23           HA       LYS  23 -11.298  -2.075  -4.667
  229   1HB   LYS  23          2HB       LYS  23  -9.728  -3.026  -6.375
  230   2HB   LYS  23          3HB       LYS  23  -8.989  -4.026  -5.140
  231   1HG   LYS  23          2HG       LYS  23 -10.583  -5.377  -6.406
  232   2HG   LYS  23          3HG       LYS  23 -11.171  -5.196  -4.766
  233   1HD   LYS  23          2HD       LYS  23 -12.558  -3.181  -5.692
  234   2HD   LYS  23          3HD       LYS  23 -12.152  -3.809  -7.283
  235   1HE   LYS  23          2HE       LYS  23 -14.331  -4.685  -6.531
  236   2HE   LYS  23          3HE       LYS  23 -13.161  -5.989  -6.684
  237   1HZ   LYS  23          3HZ       LYS  23 -13.002  -4.908  -4.085
  238   2HZ   LYS  23          1HZ       LYS  23 -14.620  -5.278  -4.407
  239   3HZ   LYS  23          2HZ       LYS  23 -13.422  -6.491  -4.557
  240    QB   LYS  23           QB       LYS  23  -9.358  -3.526  -5.757
  241    QG   LYS  23           QG       LYS  23 -10.877  -5.287  -5.586
  242    QD   LYS  23           QD       LYS  23 -12.355  -3.495  -6.488
  243    QE   LYS  23           QE       LYS  23 -13.746  -5.337  -6.608
  244    QZ   LYS  23           QZ       LYS  23 -13.681  -5.559  -4.350
  245    H    LEU  24           HN       LEU  24  -8.795  -3.856  -2.916
  246    HA   LEU  24           HA       LEU  24 -10.444  -5.644  -1.469
  247   1HB   LEU  24          2HB       LEU  24  -7.991  -4.248  -0.339
  248   2HB   LEU  24          3HB       LEU  24  -8.568  -5.848   0.065
  249    HG   LEU  24           HG       LEU  24  -7.460  -5.001  -2.644
  250   1HD1  LEU  24          3HD1      LEU  24  -5.782  -5.183  -0.821
  251   2HD1  LEU  24          1HD1      LEU  24  -6.334  -6.830  -0.505
  252   3HD1  LEU  24          2HD1      LEU  24  -5.584  -6.427  -2.045
  253   1HD2  LEU  24          2HD2      LEU  24  -9.180  -6.811  -2.840
  254   2HD2  LEU  24          3HD2      LEU  24  -7.565  -7.405  -3.204
  255   3HD2  LEU  24          1HD2      LEU  24  -8.296  -7.758  -1.642
  256    QB   LEU  24           QB       LEU  24  -8.279  -5.048  -0.137
  257    QD1  LEU  24           QD1      LEU  24  -5.900  -6.147  -1.124
  258    QD2  LEU  24           QD2      LEU  24  -8.347  -7.325  -2.562
  259    QQD  LEU  24           QQD      LEU  24  -7.124  -6.736  -1.843
  260    H    SER  25           HN       SER  25  -9.239  -2.484  -0.715
  261    HA   SER  25           HA       SER  25 -10.393  -1.794   1.703
  262   1HB   SER  25          2HB       SER  25  -8.960  -0.435  -0.211
  263   2HB   SER  25          3HB       SER  25 -10.552   0.288  -0.457
  264    HG   SER  25           HG       SER  25 -10.210   0.148   2.155
  265    QB   SER  25           QB       SER  25  -9.756  -0.074  -0.334
  266    H    ASN  26           HN       ASN  26 -11.827  -1.809  -1.500
  267    HA   ASN  26           HA       ASN  26 -14.498  -1.315  -0.250
  268   1HB   ASN  26          2HB       ASN  26 -13.654   0.403  -1.930
  269   2HB   ASN  26          3HB       ASN  26 -13.711  -0.873  -3.129
  270   1HD2  ASN  26          2HD2      ASN  26 -17.446  -0.629  -1.670
  271   2HD2  ASN  26          1HD2      ASN  26 -16.188  -1.253  -0.721
  272    QB   ASN  26           QB       ASN  26 -13.682  -0.235  -2.530
  273    QD2  ASN  26           QD2      ASN  26 -16.817  -0.941  -1.196
  274    H    GLU  27           HN       GLU  27 -13.330  -3.829  -0.349
  275    HA   GLU  27           HA       GLU  27 -15.034  -5.248  -2.361
  276   1HB   GLU  27          2HB       GLU  27 -12.559  -5.576  -2.586
  277   2HB   GLU  27          3HB       GLU  27 -12.503  -6.184  -0.962
  278   1HG   GLU  27          2HG       GLU  27 -13.783  -8.135  -1.566
  279   2HG   GLU  27          3HG       GLU  27 -14.276  -7.421  -3.088
  280    QB   GLU  27           QB       GLU  27 -12.531  -5.880  -1.774
  281    QG   GLU  27           QG       GLU  27 -14.029  -7.778  -2.327
  282    NH1  ARG  28           NH1      ARG  28 -10.157  -9.589   0.336
  283    NH2  ARG  28           NH2      ARG  28 -10.198  -9.726   2.619
  284    H    ARG  28           HN       ARG  28 -13.536  -5.740   0.792
  285    HA   ARG  28           HA       ARG  28 -16.145  -6.832   1.785
  286   1HB   ARG  28          2HB       ARG  28 -13.426  -7.464   2.981
  287   2HB   ARG  28          3HB       ARG  28 -14.941  -8.246   3.342
  288   1HG   ARG  28          2HG       ARG  28 -13.922  -9.819   1.947
  289   2HG   ARG  28          3HG       ARG  28 -14.900  -8.912   0.800
  290   1HD   ARG  28          2HD       ARG  28 -12.602  -9.266  -0.056
  291   2HD   ARG  28          3HD       ARG  28 -12.941  -7.570   0.171
  292    HE   ARG  28           HE       ARG  28 -11.557  -7.628   2.259
  293   1HH1  ARG  28          2HH1      ARG  28 -10.549  -9.216  -0.512
  294   2HH1  ARG  28          1HH1      ARG  28  -9.387 -10.241   0.280
  295   1HH2  ARG  28          2HH2      ARG  28 -10.530  -9.350   3.491
  296   2HH2  ARG  28          1HH2      ARG  28  -9.558 -10.504   2.625
  297    QB   ARG  28           QB       ARG  28 -14.184  -7.855   3.162
  298    QG   ARG  28           QG       ARG  28 -14.411  -9.365   1.374
  299    QD   ARG  28           QD       ARG  28 -12.771  -8.418   0.058
  300    QH1  ARG  28           QH1      ARG  28  -9.968  -9.729  -0.116
  301    QH2  ARG  28           QH2      ARG  28 -10.044  -9.927   3.058
  302    H    ASP  29           HN       ASP  29 -14.751  -4.157   1.478
  303    HA   ASP  29           HA       ASP  29 -14.047  -2.308   2.777
  304   1HB   ASP  29          2HB       ASP  29 -16.807  -3.151   3.669
  305   2HB   ASP  29          3HB       ASP  29 -16.066  -1.656   4.229
  306    QB   ASP  29           QB       ASP  29 -16.437  -2.403   3.949
  307    H    ASP  30           HN       ASP  30 -12.730  -4.375   3.556
  308    HA   ASP  30           HA       ASP  30 -12.574  -4.276   6.549
  309   1HB   ASP  30          2HB       ASP  30 -11.776  -6.598   6.427
  310   2HB   ASP  30          3HB       ASP  30 -13.295  -6.486   5.546
  311    QB   ASP  30           QB       ASP  30 -12.536  -6.542   5.987
  312    H    PHE  31           HN       PHE  31 -11.153  -2.994   3.984
  313    HA   PHE  31           HA       PHE  31  -8.418  -3.211   5.161
  314   1HB   PHE  31          2HB       PHE  31  -8.900  -4.654   3.050
  315   2HB   PHE  31          3HB       PHE  31  -8.911  -3.129   2.180
  316    HD1  PHE  31          2HD       PHE  31  -6.859  -5.422   4.198
  317    HD2  PHE  31          1HD       PHE  31  -6.852  -1.921   1.768
  318    HE1  PHE  31          2HE       PHE  31  -4.406  -5.524   4.062
  319    HE2  PHE  31          1HE       PHE  31  -4.404  -2.029   1.627
  320    HZ   PHE  31           HZ       PHE  31  -3.178  -3.822   2.790
  321    QB   PHE  31           QB       PHE  31  -8.905  -3.891   2.615
  322    QR   PHE  31           QR       PHE  31  -5.630  -3.724   2.914
  323    H    GLN  32           HN       GLN  32  -7.155  -1.260   5.001
  324    HA   GLN  32           HA       GLN  32  -8.521   1.081   3.740
  325   1HB   GLN  32          2HB       GLN  32  -7.302   0.989   6.538
  326   2HB   GLN  32          3HB       GLN  32  -7.954   2.429   5.767
  327   1HG   GLN  32          2HG       GLN  32 -10.195   1.502   5.744
  328   2HG   GLN  32          3HG       GLN  32  -9.611  -0.094   6.198
  329   1HE2  GLN  32          2HE2      GLN  32 -10.807   2.183   9.147
  330   2HE2  GLN  32          1HE2      GLN  32 -11.354   2.248   7.540
  331    QB   GLN  32           QB       GLN  32  -7.628   1.709   6.153
  332    QG   GLN  32           QG       GLN  32  -9.903   0.704   5.971
  333    QE2  GLN  32           QE2      GLN  32 -11.081   2.215   8.344
  334    OH   TYR  33           OH       TYR  33  -8.328   5.476  -1.839
  335    H    TYR  33           HN       TYR  33  -7.039   2.745   3.045
  336    HA   TYR  33           HA       TYR  33  -4.148   2.048   3.254
  337   1HB   TYR  33          2HB       TYR  33  -3.802   2.309   0.863
  338   2HB   TYR  33          3HB       TYR  33  -5.091   1.134   1.087
  339    HD1  TYR  33           HD1      TYR  33  -7.489   1.824   0.708
  340    HD2  TYR  33           HD2      TYR  33  -4.254   4.457  -0.155
  341    HE1  TYR  33           HE1      TYR  33  -8.991   3.256  -0.595
  342    HE2  TYR  33           HE2      TYR  33  -5.766   5.880  -1.456
  343    HH   TYR  33           HH       TYR  33  -8.597   5.012  -2.652
  344    QB   TYR  33           QB       TYR  33  -4.446   1.722   0.975
  345    QR   TYR  33           QR       TYR  33  -6.625   3.854  -0.375
  346    H    GLN  34           HN       GLN  34  -2.730   3.755   2.884
  347    HA   GLN  34           HA       GLN  34  -3.851   6.512   2.680
  348   1HB   GLN  34          2HB       GLN  34  -2.811   5.408   5.049
  349   2HB   GLN  34          3HB       GLN  34  -1.449   6.272   4.380
  350   1HG   GLN  34          2HG       GLN  34  -2.690   7.783   5.826
  351   2HG   GLN  34          3HG       GLN  34  -2.866   8.317   4.163
  352   1HE2  GLN  34          2HE2      GLN  34  -6.207   6.315   5.410
  353   2HE2  GLN  34          1HE2      GLN  34  -4.705   5.530   5.455
  354    QB   GLN  34           QB       GLN  34  -2.130   5.840   4.714
  355    QG   GLN  34           QG       GLN  34  -2.778   8.050   4.995
  356    QE2  GLN  34           QE2      GLN  34  -5.456   5.923   5.432
  357    OH   TYR  35           OH       TYR  35   2.989   9.462  -4.459
  358    H    TYR  35           HN       TYR  35  -2.591   7.851   1.349
  359    HA   TYR  35           HA       TYR  35  -0.093   6.584   0.272
  360   1HB   TYR  35          2HB       TYR  35  -1.711   6.765  -1.501
  361   2HB   TYR  35          3HB       TYR  35  -2.097   8.429  -1.081
  362    HD1  TYR  35           HD2      TYR  35   0.536   6.199  -2.472
  363    HD2  TYR  35           HD1      TYR  35  -0.622  10.248  -1.820
  364    HE1  TYR  35           HE2      TYR  35   2.360   6.953  -3.917
  365    HE2  TYR  35           HE1      TYR  35   1.238  11.003  -3.226
  366    HH   TYR  35           HH       TYR  35   3.517  10.097  -3.950
  367    QB   TYR  35           QB       TYR  35  -1.904   7.597  -1.291
  368    QR   TYR  35           QR       TYR  35   0.878   8.601  -2.859
  369    H    VAL  36           HN       VAL  36   1.760   7.654   0.513
  370    HA   VAL  36           HA       VAL  36   1.658  10.520   1.331
  371    HB   VAL  36           HB       VAL  36   3.359   8.260   2.459
  372   1HG1  VAL  36          3HG1      VAL  36   3.298  11.213   3.192
  373   2HG1  VAL  36          1HG1      VAL  36   4.125   9.958   4.111
  374   3HG1  VAL  36          2HG1      VAL  36   4.657  10.343   2.479
  375   1HG2  VAL  36          3HG2      VAL  36   1.007   8.254   3.240
  376   2HG2  VAL  36          1HG2      VAL  36   2.090   8.715   4.547
  377   3HG2  VAL  36          2HG2      VAL  36   1.147   9.940   3.704
  378    QG1  VAL  36           QG1      VAL  36   4.026  10.505   3.261
  379    QG2  VAL  36           QG2      VAL  36   1.415   8.970   3.830
  380    QQG  VAL  36           QQG      VAL  36   2.721   9.737   3.545
  381    H    ASP  37           HN       ASP  37   3.813  11.570   1.102
  382    HA   ASP  37           HA       ASP  37   5.242  10.630  -1.359
  383   1HB   ASP  37          2HB       ASP  37   3.804  12.698  -1.627
  384   2HB   ASP  37          3HB       ASP  37   4.822  13.500  -0.441
  385    QB   ASP  37           QB       ASP  37   4.313  13.099  -1.034
  386    H    ILE  38           HN       ILE  38   7.367  10.296  -1.089
  387    HA   ILE  38           HA       ILE  38   8.680  10.137   1.350
  388    HB   ILE  38           HB       ILE  38  10.803  10.327  -0.028
  389   1HG1  ILE  38          2HG1      ILE  38   8.753  10.980  -2.192
  390   2HG1  ILE  38          3HG1      ILE  38  10.086  11.989  -1.657
  391   1HG2  ILE  38          3HG2      ILE  38   9.516   8.212   0.275
  392   2HG2  ILE  38          1HG2      ILE  38   8.574   8.587  -1.165
  393   3HG2  ILE  38          2HG2      ILE  38  10.301   8.269  -1.294
  394   1HD1  ILE  38          1HD1      ILE  38  11.699  10.271  -2.483
  395   2HD1  ILE  38          2HD1      ILE  38  10.340   9.324  -3.093
  396   3HD1  ILE  38          3HD1      ILE  38  10.675  10.915  -3.769
  397    QG1  ILE  38           QG1      ILE  38   9.420  11.484  -1.925
  398    QG2  ILE  38           QG2      ILE  38   9.464   8.356  -0.728
  399    QD1  ILE  38           QD1      ILE  38  10.905  10.170  -3.115
  400    NH1  ARG  39           NH2      ARG  39   7.673  15.129  -3.343
  401    NH2  ARG  39           NH1      ARG  39   5.766  16.335  -3.093
  402    H    ARG  39           HN       ARG  39   8.268  12.933  -0.673
  403    HA   ARG  39           HA       ARG  39  10.121  14.631   0.813
  404   1HB   ARG  39          2HB       ARG  39   9.562  15.076  -1.522
  405   2HB   ARG  39          3HB       ARG  39   7.863  15.157  -1.115
  406   1HG   ARG  39          2HG       ARG  39   8.975  17.097   0.549
  407   2HG   ARG  39          3HG       ARG  39   9.913  17.249  -0.929
  408   1HD   ARG  39          2HD       ARG  39   6.873  17.307  -0.716
  409   2HD   ARG  39          3HD       ARG  39   7.917  18.674  -1.085
  410    HE   ARG  39           HE       ARG  39   8.265  17.790  -3.300
  411   1HH1  ARG  39          2HH2      ARG  39   8.666  15.085  -3.291
  412   2HH1  ARG  39          1HH2      ARG  39   7.146  14.300  -3.601
  413   1HH2  ARG  39          2HH1      ARG  39   5.323  17.195  -2.850
  414   2HH2  ARG  39          1HH1      ARG  39   5.208  15.541  -3.371
  415    QB   ARG  39           QB       ARG  39   8.712  15.117  -1.319
  416    QG   ARG  39           QG       ARG  39   9.444  17.173  -0.190
  417    QD   ARG  39           QD       ARG  39   7.395  17.991  -0.900
  418    QH1  ARG  39           QH2      ARG  39   7.906  14.693  -3.446
  419    QH2  ARG  39           QH1      ARG  39   5.266  16.368  -3.111
  420    H    ALA  40           HN       ALA  40   6.594  14.483   0.546
  421    HA   ALA  40           HA       ALA  40   5.683  16.409   2.266
  422   1HB   ALA  40          1HB       ALA  40   4.733  13.525   2.198
  423   2HB   ALA  40          2HB       ALA  40   3.807  14.879   2.828
  424   3HB   ALA  40          3HB       ALA  40   4.202  14.809   1.117
  425    QB   ALA  40           QB       ALA  40   4.247  14.404   2.048
  426    H    GLU  41           HN       GLU  41   6.607  13.160   3.371
  427    HA   GLU  41           HA       GLU  41   6.428  13.935   6.189
  428   1HB   GLU  41          2HB       GLU  41   7.239  11.426   4.733
  429   2HB   GLU  41          3HB       GLU  41   7.819  11.636   6.378
  430   1HG   GLU  41          2HG       GLU  41   5.360  12.118   7.022
  431   2HG   GLU  41          3HG       GLU  41   4.931  11.491   5.435
  432    QB   GLU  41           QB       GLU  41   7.529  11.531   5.556
  433    QG   GLU  41           QG       GLU  41   5.145  11.804   6.229
  434    H    GLY  42           HN       GLY  42   9.058  13.444   3.880
  435   1HA   GLY  42          1HA       GLY  42  11.058  14.884   3.994
  436   2HA   GLY  42          2HA       GLY  42  10.862  14.939   5.747
  437    QA   GLY  42           QA       GLY  42  10.960  14.912   4.870
  438    H    ILE  43           HN       ILE  43  10.756  12.283   3.461
  439    HA   ILE  43           HA       ILE  43  12.608  10.745   5.178
  440    HB   ILE  43           HB       ILE  43  10.813   9.883   2.875
  441   1HG1  ILE  43          2HG1      ILE  43  10.305   9.476   5.842
  442   2HG1  ILE  43          3HG1      ILE  43   9.700  10.890   4.994
  443   1HG2  ILE  43          2HG2      ILE  43  12.237   8.252   5.029
  444   2HG2  ILE  43          3HG2      ILE  43  11.138   7.601   3.811
  445   3HG2  ILE  43          1HG2      ILE  43  12.673   8.302   3.325
  446   1HD1  ILE  43          3HD1      ILE  43   8.480   9.406   3.414
  447   2HD1  ILE  43          1HD1      ILE  43   9.087   7.998   4.283
  448   3HD1  ILE  43          2HD1      ILE  43   7.990   9.118   5.080
  449    QG1  ILE  43           QG1      ILE  43  10.002  10.183   5.418
  450    QG2  ILE  43           QG2      ILE  43  12.016   8.052   4.055
  451    QD1  ILE  43           QD1      ILE  43   8.519   8.841   4.259
  452    H    THR  44           HN       THR  44  14.349   9.633   4.281
  453    HA   THR  44           HA       THR  44  15.375  10.721   1.692
  454    HB   THR  44           HB       THR  44  17.667  10.363   2.682
  455    HG1  THR  44          1HG       THR  44  16.208   8.776   4.231
  456   1HG2  THR  44          2HG2      THR  44  16.441  12.552   3.239
  457   2HG2  THR  44          3HG2      THR  44  15.822  11.765   4.686
  458   3HG2  THR  44          1HG2      THR  44  17.552  12.037   4.506
  459    QG2  THR  44           QG2      THR  44  16.605  12.118   4.144
  460    H    LYS  45           HN       LYS  45  16.144   9.226   0.204
  461    HA   LYS  45           HA       LYS  45  15.111   6.647   0.108
  462   1HB   LYS  45          2HB       LYS  45  17.657   6.402  -1.078
  463   2HB   LYS  45          3HB       LYS  45  16.131   6.722  -1.884
  464   1HG   LYS  45          2HG       LYS  45  16.474   9.157  -1.565
  465   2HG   LYS  45          3HG       LYS  45  18.024   8.832  -0.791
  466   1HD   LYS  45          2HD       LYS  45  17.291   8.032  -3.642
  467   2HD   LYS  45          3HD       LYS  45  18.229   9.448  -3.219
  468   1HE   LYS  45          2HE       LYS  45  19.830   7.800  -3.807
  469   2HE   LYS  45          3HE       LYS  45  19.863   7.856  -2.053
  470   1HZ   LYS  45          1HZ       LYS  45  17.948   5.927  -2.893
  471   2HZ   LYS  45          2HZ       LYS  45  19.408   5.648  -3.690
  472   3HZ   LYS  45          3HZ       LYS  45  19.372   5.721  -1.979
  473    QB   LYS  45           QB       LYS  45  16.894   6.562  -1.481
  474    QG   LYS  45           QG       LYS  45  17.249   8.995  -1.178
  475    QD   LYS  45           QD       LYS  45  17.760   8.740  -3.431
  476    QE   LYS  45           QE       LYS  45  19.847   7.828  -2.930
  477    QZ   LYS  45           QZ       LYS  45  18.909   5.765  -2.854
  478    H    GLU  46           HN       GLU  46  18.357   7.488   1.335
  479    HA   GLU  46           HA       GLU  46  19.178   4.892   2.102
  480   1HB   GLU  46          2HB       GLU  46  19.680   7.615   3.376
  481   2HB   GLU  46          3HB       GLU  46  20.481   6.155   3.933
  482   1HG   GLU  46          2HG       GLU  46  21.802   7.494   2.208
  483   2HG   GLU  46          3HG       GLU  46  21.543   5.808   1.776
  484    QB   GLU  46           QB       GLU  46  20.080   6.885   3.654
  485    QG   GLU  46           QG       GLU  46  21.673   6.651   1.992
  486    H    ASP  47           HN       ASP  47  17.226   7.193   4.061
  487    HA   ASP  47           HA       ASP  47  16.908   5.559   6.343
  488   1HB   ASP  47          2HB       ASP  47  16.072   7.890   6.255
  489   2HB   ASP  47          3HB       ASP  47  14.901   7.449   5.021
  490    QB   ASP  47           QB       ASP  47  15.487   7.669   5.638
  491    H    LEU  48           HN       LEU  48  14.810   5.805   3.523
  492    HA   LEU  48           HA       LEU  48  12.994   3.705   4.107
  493   1HB   LEU  48          2HB       LEU  48  13.924   5.157   1.680
  494   2HB   LEU  48          3HB       LEU  48  13.217   3.593   1.346
  495    HG   LEU  48           HG       LEU  48  11.873   5.682   3.098
  496   1HD1  LEU  48          1HD1      LEU  48  12.202   6.556   0.797
  497   2HD1  LEU  48          2HD1      LEU  48  11.467   5.101   0.138
  498   3HD1  LEU  48          3HD1      LEU  48  10.503   6.213   1.104
  499   1HD2  LEU  48          3HD2      LEU  48  10.816   3.215   1.662
  500   2HD2  LEU  48          1HD2      LEU  48  11.090   3.337   3.398
  501   3HD2  LEU  48          2HD2      LEU  48   9.848   4.321   2.632
  502    QB   LEU  48           QB       LEU  48  13.571   4.375   1.513
  503    QD1  LEU  48           QD1      LEU  48  11.391   5.957   0.680
  504    QD2  LEU  48           QD2      LEU  48  10.585   3.624   2.564
  505    QQD  LEU  48           QQD      LEU  48  10.988   4.791   1.622
  506    H    GLN  49           HN       GLN  49  15.925   3.624   2.242
  507    HA   GLN  49           HA       GLN  49  16.167   0.939   1.562
  508   1HB   GLN  49          2HB       GLN  49  18.087   3.168   2.239
  509   2HB   GLN  49          3HB       GLN  49  18.735   1.621   1.781
  510   1HG   GLN  49          2HG       GLN  49  17.648   1.732  -0.391
  511   2HG   GLN  49          3HG       GLN  49  16.661   3.094   0.114
  512   1HE2  GLN  49          2HE2      GLN  49  20.519   4.318  -0.079
  513   2HE2  GLN  49          1HE2      GLN  49  20.069   3.080   1.000
  514    QB   GLN  49           QB       GLN  49  18.411   2.394   2.010
  515    QG   GLN  49           QG       GLN  49  17.154   2.413  -0.139
  516    QE2  GLN  49           QE2      GLN  49  20.294   3.699   0.461
  517    H    GLN  50           HN       GLN  50  17.258   2.586   4.481
  518    HA   GLN  50           HA       GLN  50  18.231   0.301   5.898
  519   1HB   GLN  50          2HB       GLN  50  18.639   2.790   6.356
  520   2HB   GLN  50          3HB       GLN  50  17.047   2.836   7.092
  521   1HG   GLN  50          2HG       GLN  50  17.702   1.162   8.742
  522   2HG   GLN  50          3HG       GLN  50  19.275   0.970   7.980
  523   1HE2  GLN  50          2HE2      GLN  50  19.329   4.776   9.126
  524   2HE2  GLN  50          1HE2      GLN  50  18.609   4.226   7.693
  525    QB   GLN  50           QB       GLN  50  17.843   2.813   6.724
  526    QG   GLN  50           QG       GLN  50  18.488   1.066   8.361
  527    QE2  GLN  50           QE2      GLN  50  18.969   4.501   8.409
  528    H    LYS  51           HN       LYS  51  15.186   2.066   6.292
  529    HA   LYS  51           HA       LYS  51  13.876   0.447   8.181
  530   1HB   LYS  51          2HB       LYS  51  12.899   2.191   5.913
  531   2HB   LYS  51          3HB       LYS  51  11.749   1.307   6.887
  532   1HG   LYS  51          2HG       LYS  51  12.651   2.441   8.933
  533   2HG   LYS  51          3HG       LYS  51  13.750   3.356   7.899
  534   1HD   LYS  51          2HD       LYS  51  11.836   4.323   6.672
  535   2HD   LYS  51          3HD       LYS  51  10.716   3.338   7.586
  536   1HE   LYS  51          2HE       LYS  51  10.947   5.784   8.305
  537   2HE   LYS  51          3HE       LYS  51  11.041   4.589   9.574
  538   1HZ   LYS  51          3HZ       LYS  51  13.615   5.068   8.481
  539   2HZ   LYS  51          1HZ       LYS  51  12.930   6.550   8.855
  540   3HZ   LYS  51          2HZ       LYS  51  13.100   5.373  10.084
  541    QB   LYS  51           QB       LYS  51  12.324   1.749   6.400
  542    QG   LYS  51           QG       LYS  51  13.201   2.898   8.416
  543    QD   LYS  51           QD       LYS  51  11.276   3.830   7.129
  544    QE   LYS  51           QE       LYS  51  10.994   5.186   8.940
  545    QZ   LYS  51           QZ       LYS  51  13.215   5.664   9.140
  546    H    ALA  52           HN       ALA  52  13.760   0.263   4.686
  547    HA   ALA  52           HA       ALA  52  11.908  -1.786   4.343
  548   1HB   ALA  52          1HB       ALA  52  12.710  -0.320   2.543
  549   2HB   ALA  52          2HB       ALA  52  14.310  -1.053   2.637
  550   3HB   ALA  52          3HB       ALA  52  12.935  -2.004   2.085
  551    QB   ALA  52           QB       ALA  52  13.318  -1.126   2.422
  552    H    GLY  53           HN       GLY  53  15.447  -2.080   4.286
  553   1HA   GLY  53          1HA       GLY  53  16.535  -3.935   5.530
  554   2HA   GLY  53          2HA       GLY  53  15.136  -4.941   5.147
  555    QA   GLY  53           QA       GLY  53  15.836  -4.438   5.338
  556    H    LYS  54           HN       LYS  54  14.909  -3.985   2.447
  557    HA   LYS  54           HA       LYS  54  17.207  -5.456   1.245
  558   1HB   LYS  54          2HB       LYS  54  15.659  -5.807  -0.707
  559   2HB   LYS  54          3HB       LYS  54  15.063  -6.521   0.782
  560   1HG   LYS  54          2HG       LYS  54  13.512  -4.675   1.127
  561   2HG   LYS  54          3HG       LYS  54  14.227  -3.764  -0.196
  562   1HD   LYS  54          2HD       LYS  54  12.376  -4.673  -1.284
  563   2HD   LYS  54          3HD       LYS  54  13.571  -5.907  -1.622
  564   1HE   LYS  54          2HE       LYS  54  11.741  -7.169  -0.871
  565   2HE   LYS  54          3HE       LYS  54  12.728  -7.036   0.576
  566   1HZ   LYS  54          1HZ       LYS  54  11.005  -4.809   0.418
  567   2HZ   LYS  54          2HZ       LYS  54  10.080  -6.223   0.208
  568   3HZ   LYS  54          3HZ       LYS  54  11.043  -6.017   1.608
  569    QB   LYS  54           QB       LYS  54  15.361  -6.164   0.037
  570    QG   LYS  54           QG       LYS  54  13.870  -4.220   0.465
  571    QD   LYS  54           QD       LYS  54  12.973  -5.290  -1.453
  572    QE   LYS  54           QE       LYS  54  12.235  -7.103  -0.147
  573    QZ   LYS  54           QZ       LYS  54  10.709  -5.683   0.745
  574    HA   PRO  55           HA       PRO  55  18.802  -1.820  -0.405
  575   1HB   PRO  55          2HB       PRO  55  19.990  -2.745  -2.724
  576   2HB   PRO  55          3HB       PRO  55  20.646  -3.021  -1.105
  577   1HG   PRO  55          2HG       PRO  55  19.036  -4.879  -2.856
  578   2HG   PRO  55          3HG       PRO  55  20.403  -5.261  -1.797
  579   1HD   PRO  55          2HD       PRO  55  17.786  -5.743  -1.100
  580   2HD   PRO  55          3HD       PRO  55  19.046  -5.383   0.102
  581    QB   PRO  55           QB       PRO  55  20.318  -2.883  -1.914
  582    QG   PRO  55           QG       PRO  55  19.719  -5.070  -2.327
  583    QD   PRO  55           QD       PRO  55  18.416  -5.563  -0.499
  584    H    VAL  56           HN       VAL  56  16.834  -0.759  -0.867
  585    HA   VAL  56           HA       VAL  56  15.846  -0.928  -3.638
  586    HB   VAL  56           HB       VAL  56  14.081   0.677  -2.662
  587   1HG1  VAL  56          2HG1      VAL  56  14.450  -2.111  -1.494
  588   2HG1  VAL  56          3HG1      VAL  56  12.936  -1.230  -1.546
  589   3HG1  VAL  56          1HG1      VAL  56  13.699  -1.741  -3.039
  590   1HG2  VAL  56          2HG2      VAL  56  15.477   1.341  -0.707
  591   2HG2  VAL  56          3HG2      VAL  56  13.921   0.686  -0.224
  592   3HG2  VAL  56          1HG2      VAL  56  15.356  -0.309  -0.093
  593    QG1  VAL  56           QG1      VAL  56  13.695  -1.694  -2.026
  594    QG2  VAL  56           QG2      VAL  56  14.918   0.572  -0.341
  595    QQG  VAL  56           QQG      VAL  56  14.306  -0.561  -1.184
  596    H    GLU  57           HN       GLU  57  15.077   1.456  -4.323
  597    HA   GLU  57           HA       GLU  57  17.558   3.108  -4.254
  598   1HB   GLU  57          2HB       GLU  57  16.986   2.290  -6.505
  599   2HB   GLU  57          3HB       GLU  57  15.360   2.948  -6.371
  600   1HG   GLU  57          2HG       GLU  57  16.753   4.494  -7.672
  601   2HG   GLU  57          3HG       GLU  57  16.379   5.246  -6.133
  602    QB   GLU  57           QB       GLU  57  16.173   2.619  -6.438
  603    QG   GLU  57           QG       GLU  57  16.566   4.870  -6.903
  604    H    THR  58           HN       THR  58  14.140   3.737  -4.981
  605    HA   THR  58           HA       THR  58  14.072   5.816  -2.868
  606    HB   THR  58           HB       THR  58  12.929   7.326  -4.713
  607    HG1  THR  58          1HG       THR  58  14.649   5.670  -6.270
  608   1HG2  THR  58          2HG2      THR  58  15.929   6.737  -4.918
  609   2HG2  THR  58          3HG2      THR  58  15.127   8.196  -5.491
  610   3HG2  THR  58          1HG2      THR  58  15.211   7.851  -3.768
  611    QG2  THR  58           QG2      THR  58  15.423   7.594  -4.726
  612    H    VAL  59           HN       VAL  59  12.264   4.749  -5.583
  613    HA   VAL  59           HA       VAL  59   9.922   3.988  -3.880
  614    HB   VAL  59           HB       VAL  59   8.436   4.917  -5.685
  615   1HG1  VAL  59          2HG1      VAL  59   9.017   6.312  -3.714
  616   2HG1  VAL  59          3HG1      VAL  59  10.414   6.943  -4.588
  617   3HG1  VAL  59          1HG1      VAL  59   8.784   7.286  -5.161
  618   1HG2  VAL  59          3HG2      VAL  59  11.054   5.930  -6.829
  619   2HG2  VAL  59          1HG2      VAL  59  10.021   4.708  -7.556
  620   3HG2  VAL  59          2HG2      VAL  59   9.450   6.366  -7.411
  621    QG1  VAL  59           QG1      VAL  59   9.405   6.847  -4.488
  622    QG2  VAL  59           QG2      VAL  59  10.175   5.668  -7.266
  623    QQG  VAL  59           QQG      VAL  59   9.790   6.257  -5.877
  624    HA   PRO  60           HA       PRO  60   7.736   3.436  -4.765
  625   1HB   PRO  60          2HB       PRO  60   6.251   1.114  -5.073
  626   2HB   PRO  60          3HB       PRO  60   6.226   2.461  -6.218
  627   1HG   PRO  60          2HG       PRO  60   7.696  -0.162  -6.397
  628   2HG   PRO  60          3HG       PRO  60   6.947   0.771  -7.698
  629   1HD   PRO  60          2HD       PRO  60   9.670   0.737  -7.205
  630   2HD   PRO  60          3HD       PRO  60   8.844   2.107  -7.973
  631    QB   PRO  60           QB       PRO  60   6.239   1.788  -5.646
  632    QG   PRO  60           QG       PRO  60   7.322   0.305  -7.048
  633    QD   PRO  60           QD       PRO  60   9.257   1.422  -7.589
  634    H    GLN  61           HN       GLN  61   7.386   3.144  -2.605
  635    HA   GLN  61           HA       GLN  61   8.481   0.640  -1.363
  636   1HB   GLN  61          2HB       GLN  61   8.691   3.504  -0.364
  637   2HB   GLN  61          3HB       GLN  61   9.165   2.091   0.566
  638   1HG   GLN  61          2HG       GLN  61  10.320   2.295  -2.177
  639   2HG   GLN  61          3HG       GLN  61  10.899   3.464  -1.005
  640   1HE2  GLN  61          2HE2      GLN  61  11.742  -0.505  -0.456
  641   2HE2  GLN  61          1HE2      GLN  61  10.535  -0.045  -1.567
  642    QB   GLN  61           QB       GLN  61   8.928   2.797   0.101
  643    QG   GLN  61           QG       GLN  61  10.609   2.879  -1.591
  644    QE2  GLN  61           QE2      GLN  61  11.138  -0.275  -1.011
  645    H    ILE  62           HN       ILE  62   6.963  -0.425  -0.274
  646    HA   ILE  62           HA       ILE  62   4.607   1.136   0.728
  647    HB   ILE  62           HB       ILE  62   4.651  -1.696  -0.393
  648   1HG1  ILE  62          2HG1      ILE  62   2.908  -0.478  -1.963
  649   2HG1  ILE  62          3HG1      ILE  62   3.709   0.987  -1.418
  650   1HG2  ILE  62          1HG2      ILE  62   2.361  -0.043   0.755
  651   2HG2  ILE  62          2HG2      ILE  62   2.178  -1.589  -0.068
  652   3HG2  ILE  62          3HG2      ILE  62   3.038  -1.507   1.468
  653   1HD1  ILE  62          1HD1      ILE  62   5.089  -1.378  -2.709
  654   2HD1  ILE  62          2HD1      ILE  62   4.714   0.155  -3.503
  655   3HD1  ILE  62          3HD1      ILE  62   5.880   0.101  -2.196
  656    QG1  ILE  62           QG1      ILE  62   3.309   0.255  -1.690
  657    QG2  ILE  62           QG2      ILE  62   2.526  -1.046   0.718
  658    QD1  ILE  62           QD1      ILE  62   5.227  -0.374  -2.803
  659    H    PHE  63           HN       PHE  63   3.838   0.735   2.617
  660    HA   PHE  63           HA       PHE  63   5.179  -1.264   4.390
  661   1HB   PHE  63          2HB       PHE  63   4.658   1.682   4.883
  662   2HB   PHE  63          3HB       PHE  63   4.822   0.553   6.226
  663    HD1  PHE  63          2HD       PHE  63   6.627   1.450   3.027
  664    HD2  PHE  63          1HD       PHE  63   6.963   0.213   7.090
  665    HE1  PHE  63          2HE       PHE  63   9.076   1.478   2.837
  666    HE2  PHE  63          1HE       PHE  63   9.413   0.273   6.903
  667    HZ   PHE  63           HZ       PHE  63  10.468   0.892   4.773
  668    QB   PHE  63           QB       PHE  63   4.740   1.118   5.554
  669    QR   PHE  63           QR       PHE  63   8.020   0.854   4.964
  670    H    VAL  64           HN       VAL  64   3.848  -1.750   6.313
  671    HA   VAL  64           HA       VAL  64   0.917  -1.340   5.903
  672    HB   VAL  64           HB       VAL  64   2.347  -3.999   6.329
  673   1HG1  VAL  64          2HG1      VAL  64  -0.633  -3.401   6.205
  674   2HG1  VAL  64          3HG1      VAL  64   0.084  -5.006   6.283
  675   3HG1  VAL  64          1HG1      VAL  64   0.249  -3.909   7.646
  676   1HG2  VAL  64          1HG2      VAL  64   2.332  -3.131   3.986
  677   2HG2  VAL  64          2HG2      VAL  64   1.349  -4.583   4.152
  678   3HG2  VAL  64          3HG2      VAL  64   0.578  -3.003   4.064
  679    QG1  VAL  64           QG1      VAL  64  -0.100  -4.105   6.711
  680    QG2  VAL  64           QG2      VAL  64   1.420  -3.572   4.067
  681    QQG  VAL  64           QQG      VAL  64   0.660  -3.839   5.389
  682    H    ASP  65           HN       ASP  65   0.055  -0.651   7.837
  683    HA   ASP  65           HA       ASP  65  -0.063  -0.198  10.135
  684   1HB   ASP  65          2HB       ASP  65   0.847  -3.091  10.112
  685   2HB   ASP  65          3HB       ASP  65   0.358  -2.262  11.578
  686    QB   ASP  65           QB       ASP  65   0.602  -2.677  10.845
  687    H    GLN  66           HN       GLN  66   2.382  -2.423  10.877
  688    HA   GLN  66           HA       GLN  66   4.384  -0.295  11.421
  689   1HB   GLN  66          2HB       GLN  66   4.943  -1.532  13.555
  690   2HB   GLN  66          3HB       GLN  66   3.337  -0.814  13.551
  691   1HG   GLN  66          2HG       GLN  66   2.335  -2.997  12.972
  692   2HG   GLN  66          3HG       GLN  66   3.935  -3.719  12.848
  693   1HE2  GLN  66          2HE2      GLN  66   2.174  -3.635  16.409
  694   2HE2  GLN  66          1HE2      GLN  66   1.350  -3.348  14.955
  695    QB   GLN  66           QB       GLN  66   4.140  -1.173  13.553
  696    QG   GLN  66           QG       GLN  66   3.135  -3.358  12.910
  697    QE2  GLN  66           QE2      GLN  66   1.762  -3.492  15.682
  698    H    GLN  67           HN       GLN  67   4.112  -2.373   9.287
  699    HA   GLN  67           HA       GLN  67   6.747  -3.701   9.597
  700   1HB   GLN  67          2HB       GLN  67   4.076  -4.677   8.540
  701   2HB   GLN  67          3HB       GLN  67   5.572  -5.467   8.110
  702   1HG   GLN  67          2HG       GLN  67   6.064  -5.927  10.466
  703   2HG   GLN  67          3HG       GLN  67   4.673  -4.977  10.965
  704   1HE2  GLN  67          2HE2      GLN  67   2.595  -7.800  10.838
  705   2HE2  GLN  67          1HE2      GLN  67   2.925  -6.276  11.512
  706    QB   GLN  67           QB       GLN  67   4.824  -5.072   8.325
  707    QG   GLN  67           QG       GLN  67   5.369  -5.452  10.715
  708    QE2  GLN  67           QE2      GLN  67   2.760  -7.038  11.175
  709    H    HIS  68           HN       HIS  68   7.626  -4.364   7.413
  710    HA   HIS  68           HA       HIS  68   7.024  -2.280   5.335
  711   1HB   HIS  68          2HB       HIS  68   9.247  -1.882   6.088
  712   2HB   HIS  68          3HB       HIS  68   9.614  -3.581   6.185
  713    HD1  HIS  68           HD1      HIS  68  11.183  -4.138   4.444
  714    HD2  HIS  68           HD2      HIS  68   8.506  -1.363   2.986
  715    HE1  HIS  68           HE1      HIS  68  11.709  -3.843   2.010
  716    QB   HIS  68           QB       HIS  68   9.431  -2.731   6.136
  717    H    ILE  69           HN       ILE  69   6.812  -3.028   3.176
  718    HA   ILE  69           HA       ILE  69   6.786  -6.018   2.938
  719    HB   ILE  69           HB       ILE  69   5.281  -4.058   1.168
  720   1HG1  ILE  69          2HG1      ILE  69   4.445  -3.668   3.420
  721   2HG1  ILE  69          3HG1      ILE  69   3.268  -4.633   2.548
  722   1HG2  ILE  69          1HG2      ILE  69   4.950  -7.026   1.745
  723   2HG2  ILE  69          2HG2      ILE  69   3.885  -6.068   0.720
  724   3HG2  ILE  69          3HG2      ILE  69   5.561  -6.313   0.260
  725   1HD1  ILE  69          2HD1      ILE  69   5.324  -5.756   4.497
  726   2HD1  ILE  69          3HD1      ILE  69   3.627  -5.499   4.856
  727   3HD1  ILE  69          1HD1      ILE  69   4.096  -6.683   3.655
  728    QG1  ILE  69           QG1      ILE  69   3.857  -4.150   2.984
  729    QG2  ILE  69           QG2      ILE  69   4.799  -6.469   0.908
  730    QD1  ILE  69           QD1      ILE  69   4.349  -5.979   4.336
  731    H    GLY  70           HN       GLY  70   7.339  -3.082   1.014
  732   1HA   GLY  70          1HA       GLY  70   9.779  -3.298  -0.014
  733   2HA   GLY  70          2HA       GLY  70   9.054  -4.675  -0.829
  734    QA   GLY  70           QA       GLY  70   9.416  -3.986  -0.422
  735    H    GLY  71           HN       GLY  71   8.653  -4.136  -2.910
  736   1HA   GLY  71          1HA       GLY  71   7.636  -1.357  -3.417
  737   2HA   GLY  71          2HA       GLY  71   8.580  -2.277  -4.583
  738    QA   GLY  71           QA       GLY  71   8.108  -1.817  -4.000
  739    OH   TYR  72           OH       TYR  72  -0.279  -4.575  -9.313
  740    H    TYR  72           HN       TYR  72   6.537  -1.560  -5.853
  741    HA   TYR  72           HA       TYR  72   3.980  -2.581  -5.471
  742   1HB   TYR  72          2HB       TYR  72   4.570  -1.230  -7.474
  743   2HB   TYR  72          3HB       TYR  72   5.426  -2.617  -8.149
  744    HD1  TYR  72           HD2      TYR  72   2.088  -1.888  -6.561
  745    HD2  TYR  72           HD1      TYR  72   4.188  -3.934  -9.653
  746    HE1  TYR  72           HE2      TYR  72  -0.012  -2.917  -7.312
  747    HE2  TYR  72           HE1      TYR  72   2.083  -4.929 -10.417
  748    HH   TYR  72           HH       TYR  72  -0.352  -5.424  -8.864
  749    QB   TYR  72           QB       TYR  72   4.998  -1.923  -7.811
  750    QR   TYR  72           QR       TYR  72   2.087  -3.417  -8.486
  751    H    THR  73           HN       THR  73   6.802  -4.335  -6.662
  752    HA   THR  73           HA       THR  73   5.570  -6.779  -7.351
  753    HB   THR  73           HB       THR  73   7.999  -7.646  -6.594
  754    HG1  THR  73          1HG       THR  73   8.742  -6.013  -5.350
  755   1HG2  THR  73          1HG2      THR  73   7.777  -5.334  -8.585
  756   2HG2  THR  73          2HG2      THR  73   9.045  -6.553  -8.549
  757   3HG2  THR  73          3HG2      THR  73   7.399  -7.003  -8.999
  758    QG2  THR  73           QG2      THR  73   8.074  -6.297  -8.711
  759    H    ASP  74           HN       ASP  74   7.265  -6.063  -4.356
  760    HA   ASP  74           HA       ASP  74   6.468  -8.316  -2.862
  761   1HB   ASP  74          2HB       ASP  74   6.883  -5.531  -1.716
  762   2HB   ASP  74          3HB       ASP  74   7.099  -7.059  -0.883
  763    QB   ASP  74           QB       ASP  74   6.991  -6.295  -1.299
  764    H    PHE  75           HN       PHE  75   4.981  -5.123  -3.074
  765    HA   PHE  75           HA       PHE  75   2.856  -5.626  -1.247
  766   1HB   PHE  75          2HB       PHE  75   3.470  -3.351  -2.088
  767   2HB   PHE  75          3HB       PHE  75   2.779  -3.773  -3.654
  768    HD1  PHE  75          2HD       PHE  75   1.799  -4.088  -0.035
  769    HD2  PHE  75          1HD       PHE  75   0.564  -3.033  -3.974
  770    HE1  PHE  75          2HE       PHE  75  -0.463  -3.640   0.790
  771    HE2  PHE  75          1HE       PHE  75  -1.684  -2.536  -3.130
  772    HZ   PHE  75           HZ       PHE  75  -2.198  -2.842  -0.741
  773    QB   PHE  75           QB       PHE  75   3.125  -3.562  -2.871
  774    QR   PHE  75           QR       PHE  75   0.054  -3.324  -1.587
  775    H    ALA  76           HN       ALA  76   2.849  -5.919  -4.813
  776    HA   ALA  76           HA       ALA  76   0.174  -6.719  -5.122
  777   1HB   ALA  76          2HB       ALA  76   1.690  -6.273  -7.030
  778   2HB   ALA  76          3HB       ALA  76   2.601  -7.727  -6.653
  779   3HB   ALA  76          1HB       ALA  76   0.928  -7.851  -7.200
  780    QB   ALA  76           QB       ALA  76   1.740  -7.284  -6.961
  781    H    ALA  77           HN       ALA  77   3.031  -8.811  -4.765
  782    HA   ALA  77           HA       ALA  77   1.556 -11.259  -4.518
  783   1HB   ALA  77          2HB       ALA  77   4.300 -10.523  -3.386
  784   2HB   ALA  77          3HB       ALA  77   3.665 -12.164  -3.519
  785   3HB   ALA  77          1HB       ALA  77   3.989 -11.223  -4.972
  786    QB   ALA  77           QB       ALA  77   3.985 -11.303  -3.959
  787    CH2  TRP  78           CH2      TRP  78  -0.733  -6.205   3.937
  788    H    TRP  78           HN       TRP  78   3.059  -9.243  -2.004
  789    HA   TRP  78           HA       TRP  78   2.279 -10.573   0.312
  790   1HB   TRP  78          2HB       TRP  78   3.609  -8.501   0.271
  791   2HB   TRP  78          3HB       TRP  78   2.201  -7.594  -0.206
  792    HD1  TRP  78           HD1      TRP  78   3.700  -9.358   2.892
  793    HE1  TRP  78           HE1      TRP  78   2.476  -8.621   4.942
  794    HE3  TRP  78           HE3      TRP  78   0.156  -6.629   0.685
  795    HZ2  TRP  78           HZ2      TRP  78   0.277  -7.037   5.625
  796    HZ3  TRP  78           HZ3      TRP  78  -1.541  -5.497   2.092
  797    HH2  TRP  78           HH2      TRP  78  -1.474  -5.702   4.539
  798    QB   TRP  78           QB       TRP  78   2.905  -8.047   0.032
  799    H    VAL  79           HN       VAL  79   0.407  -8.244  -1.563
  800    HA   VAL  79           HA       VAL  79  -1.951  -8.389   0.023
  801    HB   VAL  79           HB       VAL  79  -1.434  -7.679  -2.890
  802   1HG1  VAL  79          2HG1      VAL  79  -4.106  -7.668  -1.439
  803   2HG1  VAL  79          3HG1      VAL  79  -3.810  -6.888  -2.987
  804   3HG1  VAL  79          1HG1      VAL  79  -3.696  -8.632  -2.845
  805   1HG2  VAL  79          2HG2      VAL  79  -2.308  -6.050  -0.480
  806   2HG2  VAL  79          3HG2      VAL  79  -0.715  -6.035  -1.219
  807   3HG2  VAL  79          1HG2      VAL  79  -2.100  -5.413  -2.110
  808    QG1  VAL  79           QG1      VAL  79  -3.871  -7.729  -2.424
  809    QG2  VAL  79           QG2      VAL  79  -1.708  -5.833  -1.270
  810    QQG  VAL  79           QQG      VAL  79  -2.789  -6.781  -1.847
  811    H    LYS  80           HN       LYS  80  -1.376  -9.797  -3.153
  812    HA   LYS  80           HA       LYS  80  -3.641 -11.373  -3.328
  813   1HB   LYS  80          2HB       LYS  80  -1.644 -10.945  -4.998
  814   2HB   LYS  80          3HB       LYS  80  -1.060 -12.489  -4.386
  815   1HG   LYS  80          2HG       LYS  80  -3.857 -12.815  -4.809
  816   2HG   LYS  80          3HG       LYS  80  -3.273 -11.950  -6.216
  817   1HD   LYS  80          2HD       LYS  80  -2.182 -13.776  -7.027
  818   2HD   LYS  80          3HD       LYS  80  -1.507 -14.184  -5.460
  819   1HE   LYS  80          2HE       LYS  80  -4.361 -14.749  -6.337
  820   2HE   LYS  80          3HE       LYS  80  -3.063 -15.940  -6.237
  821   1HZ   LYS  80          1HZ       LYS  80  -3.192 -14.571  -3.800
  822   2HZ   LYS  80          2HZ       LYS  80  -4.763 -15.075  -4.177
  823   3HZ   LYS  80          3HZ       LYS  80  -3.475 -16.202  -4.096
  824    QB   LYS  80           QB       LYS  80  -1.352 -11.717  -4.692
  825    QG   LYS  80           QG       LYS  80  -3.565 -12.383  -5.513
  826    QD   LYS  80           QD       LYS  80  -1.845 -13.980  -6.244
  827    QE   LYS  80           QE       LYS  80  -3.712 -15.345  -6.287
  828    QZ   LYS  80           QZ       LYS  80  -3.810 -15.283  -4.024
  829    H    GLU  81           HN       GLU  81  -0.700 -12.382  -1.551
  830    HA   GLU  81           HA       GLU  81  -2.111 -14.966  -1.040
  831   1HB   GLU  81          2HB       GLU  81   0.713 -14.097  -1.061
  832   2HB   GLU  81          3HB       GLU  81   0.309 -15.268   0.188
  833   1HG   GLU  81          2HG       GLU  81   1.020 -16.296  -2.036
  834   2HG   GLU  81          3HG       GLU  81  -0.546 -16.841  -1.447
  835    QB   GLU  81           QB       GLU  81   0.511 -14.683  -0.436
  836    QG   GLU  81           QG       GLU  81   0.237 -16.569  -1.741
  837    H    ASN  82           HN       ASN  82  -2.348 -12.155   0.448
  838    HA   ASN  82           HA       ASN  82  -2.581 -13.457   3.139
  839   1HB   ASN  82          2HB       ASN  82  -1.502 -10.707   2.484
  840   2HB   ASN  82          3HB       ASN  82  -2.122 -11.111   4.081
  841   1HD2  ASN  82          2HD2      ASN  82   1.562 -12.287   3.041
  842   2HD2  ASN  82          1HD2      ASN  82   0.620 -11.233   2.094
  843    QB   ASN  82           QB       ASN  82  -1.812 -10.909   3.282
  844    QD2  ASN  82           QD2      ASN  82   1.091 -11.760   2.567
  845    H    LEU  83           HN       LEU  83  -3.766 -11.073   0.853
  846    HA   LEU  83           HA       LEU  83  -6.249 -10.794   2.505
  847   1HB   LEU  83          2HB       LEU  83  -5.562  -9.030   0.157
  848   2HB   LEU  83          3HB       LEU  83  -6.617  -8.682   1.514
  849    HG   LEU  83           HG       LEU  83  -3.590  -8.974   1.702
  850   1HD1  LEU  83          2HD1      LEU  83  -5.385  -6.524   1.721
  851   2HD1  LEU  83          3HD1      LEU  83  -3.655  -6.519   2.051
  852   3HD1  LEU  83          1HD1      LEU  83  -4.240  -6.970   0.460
  853   1HD2  LEU  83          2HD2      LEU  83  -5.652  -8.050   3.744
  854   2HD2  LEU  83          3HD2      LEU  83  -4.749  -9.561   3.811
  855   3HD2  LEU  83          1HD2      LEU  83  -3.903  -8.024   3.978
  856    QB   LEU  83           QB       LEU  83  -6.090  -8.856   0.835
  857    QD1  LEU  83           QD1      LEU  83  -4.427  -6.671   1.411
  858    QD2  LEU  83           QD2      LEU  83  -4.768  -8.545   3.844
  859    QQD  LEU  83           QQD      LEU  83  -4.597  -7.608   2.627
  860    H    ASP  84           HN       ASP  84  -5.389 -12.940   0.528
  861    HA   ASP  84           HA       ASP  84  -7.116 -12.664  -1.779
  862   1HB   ASP  84          2HB       ASP  84  -5.133 -14.333  -1.369
  863   2HB   ASP  84          3HB       ASP  84  -6.342 -15.327  -0.585
  864    QB   ASP  84           QB       ASP  84  -5.738 -14.830  -0.977
  865    H    ALA  85           HN       ALA  85  -7.458 -13.480   1.444
  866    HA   ALA  85           HA       ALA  85 -10.306 -14.286   1.113
  867   1HB   ALA  85          3HB       ALA  85  -8.860 -16.028   2.210
  868   2HB   ALA  85          1HB       ALA  85  -8.399 -14.841   3.431
  869   3HB   ALA  85          2HB       ALA  85 -10.069 -15.385   3.322
  870    QB   ALA  85           QB       ALA  85  -9.109 -15.418   2.988
   
  Start of MODEL          11
 Raw file had 870 H/Q atoms
  Start of MODEL   11
    1    H    MET   1           HN       MET   1  -7.114  -4.150   6.183
    2    HA   MET   1           HA       MET   1  -5.276  -4.042   8.320
    3   1HB   MET   1          2HB       MET   1  -4.214  -5.147   5.703
    4   2HB   MET   1          3HB       MET   1  -3.182  -4.345   6.884
    5   1HG   MET   1          2HG       MET   1  -3.348  -6.883   7.069
    6   2HG   MET   1          3HG       MET   1  -3.581  -5.963   8.530
    7   1HE   MET   1          2HE       MET   1  -4.866  -7.744   5.686
    8   2HE   MET   1          3HE       MET   1  -5.263  -9.135   6.693
    9   3HE   MET   1          1HE       MET   1  -6.551  -8.158   5.978
   10    QB   MET   1           QB       MET   1  -3.698  -4.746   6.293
   11    QG   MET   1           QG       MET   1  -3.464  -6.423   7.800
   12    QE   MET   1           QE       MET   1  -5.560  -8.345   6.119
   13    H    GLN   2           HN       GLN   2  -3.624  -2.356   7.799
   14    HA   GLN   2           HA       GLN   2  -4.851  -0.167   6.292
   15   1HB   GLN   2          2HB       GLN   2  -2.702  -0.209   8.424
   16   2HB   GLN   2          3HB       GLN   2  -3.477   1.212   7.780
   17   1HG   GLN   2          2HG       GLN   2  -4.625   0.804   9.826
   18   2HG   GLN   2          3HG       GLN   2  -5.708   0.157   8.601
   19   1HE2  GLN   2          2HE2      GLN   2  -3.657  -2.494  10.977
   20   2HE2  GLN   2          1HE2      GLN   2  -3.069  -0.914  10.804
   21    QB   GLN   2           QB       GLN   2  -3.089   0.502   8.102
   22    QG   GLN   2           QG       GLN   2  -5.166   0.481   9.214
   23    QE2  GLN   2           QE2      GLN   2  -3.363  -1.704  10.890
   24    H    THR   3           HN       THR   3  -3.991  -0.213   4.221
   25    HA   THR   3           HA       THR   3  -1.120  -0.956   3.913
   26    HB   THR   3           HB       THR   3  -3.274  -0.517   1.778
   27    HG1  THR   3          1HG       THR   3  -3.858  -2.340   2.745
   28   1HG2  THR   3          3HG2      THR   3  -0.588  -1.981   1.706
   29   2HG2  THR   3          1HG2      THR   3  -1.714  -1.814   0.364
   30   3HG2  THR   3          2HG2      THR   3  -0.858  -0.403   0.970
   31    QG2  THR   3           QG2      THR   3  -1.053  -1.399   1.013
   32    H    VAL   4           HN       VAL   4   0.314   0.608   3.840
   33    HA   VAL   4           HA       VAL   4  -0.528   3.340   2.925
   34    HB   VAL   4           HB       VAL   4   1.774   2.569   4.766
   35   1HG1  VAL   4          3HG1      VAL   4   0.585   5.268   4.021
   36   2HG1  VAL   4          1HG1      VAL   4   1.844   5.020   5.222
   37   3HG1  VAL   4          2HG1      VAL   4   2.164   4.663   3.532
   38   1HG2  VAL   4          2HG2      VAL   4  -0.430   2.172   5.850
   39   2HG2  VAL   4          3HG2      VAL   4   0.442   3.502   6.602
   40   3HG2  VAL   4          1HG2      VAL   4  -0.882   3.831   5.499
   41    QG1  VAL   4           QG1      VAL   4   1.531   4.984   4.258
   42    QG2  VAL   4           QG2      VAL   4  -0.290   3.168   5.984
   43    QQG  VAL   4           QQG      VAL   4   0.620   4.076   5.121
   44    H    ILE   5           HN       ILE   5   0.686   4.295   1.336
   45    HA   ILE   5           HA       ILE   5   3.066   2.767   0.312
   46    HB   ILE   5           HB       ILE   5   1.492   4.880  -1.210
   47   1HG1  ILE   5          2HG1      ILE   5  -0.039   3.001  -0.855
   48   2HG1  ILE   5          3HG1      ILE   5   0.469   3.079  -2.537
   49   1HG2  ILE   5          2HG2      ILE   5   3.536   2.806  -2.067
   50   2HG2  ILE   5          3HG2      ILE   5   2.673   3.873  -3.170
   51   3HG2  ILE   5          1HG2      ILE   5   3.782   4.548  -1.980
   52   1HD1  ILE   5          1HD1      ILE   5   1.685   1.236  -0.447
   53   2HD1  ILE   5          2HD1      ILE   5   0.527   0.748  -1.678
   54   3HD1  ILE   5          3HD1      ILE   5   2.128   1.299  -2.151
   55    QG1  ILE   5           QG1      ILE   5   0.215   3.040  -1.696
   56    QG2  ILE   5           QG2      ILE   5   3.331   3.742  -2.406
   57    QD1  ILE   5           QD1      ILE   5   1.447   1.094  -1.426
   58    H    PHE   6           HN       PHE   6   4.963   3.809   0.395
   59    HA   PHE   6           HA       PHE   6   4.998   6.733   1.064
   60   1HB   PHE   6          2HB       PHE   6   6.423   4.390   2.247
   61   2HB   PHE   6          3HB       PHE   6   7.415   5.817   1.975
   62    HD1  PHE   6          1HD       PHE   6   6.672   8.030   2.979
   63    HD2  PHE   6          2HD       PHE   6   4.823   4.340   4.041
   64    HE1  PHE   6          1HE       PHE   6   5.751   9.074   4.997
   65    HE2  PHE   6          2HE       PHE   6   3.896   5.389   6.061
   66    HZ   PHE   6           HZ       PHE   6   4.365   7.753   6.553
   67    QB   PHE   6           QB       PHE   6   6.919   5.103   2.111
   68    QR   PHE   6           QR       PHE   6   5.286   6.708   4.520
   69    H    GLY   7           HN       GLY   7   5.028   7.045  -1.243
   70   1HA   GLY   7          1HA       GLY   7   7.748   6.832  -2.353
   71   2HA   GLY   7          2HA       GLY   7   6.496   5.980  -3.249
   72    QA   GLY   7           QA       GLY   7   7.122   6.406  -2.801
   73    NH1  ARG   8           NH1      ARG   8   4.192  11.735  -5.762
   74    NH2  ARG   8           NH2      ARG   8   4.350  12.073  -8.034
   75    H    ARG   8           HN       ARG   8   7.580   7.617  -4.759
   76    HA   ARG   8           HA       ARG   8   5.940  10.113  -4.815
   77   1HB   ARG   8          2HB       ARG   8   8.318  10.636  -4.394
   78   2HB   ARG   8          3HB       ARG   8   8.798   9.654  -5.768
   79   1HG   ARG   8          2HG       ARG   8   8.842  11.967  -6.461
   80   2HG   ARG   8          3HG       ARG   8   7.481  11.199  -7.262
   81   1HD   ARG   8          2HD       ARG   8   6.470  12.147  -4.785
   82   2HD   ARG   8          3HD       ARG   8   7.499  13.429  -5.382
   83    HE   ARG   8           HE       ARG   8   5.989  13.810  -7.172
   84   1HH1  ARG   8          2HH1      ARG   8   4.561  11.897  -4.833
   85   2HH1  ARG   8          1HH1      ARG   8   3.367  11.170  -5.859
   86   1HH2  ARG   8          2HH2      ARG   8   4.814  12.516  -8.804
   87   2HH2  ARG   8          1HH2      ARG   8   3.560  11.479  -8.221
   88    QB   ARG   8           QB       ARG   8   8.558  10.145  -5.081
   89    QG   ARG   8           QG       ARG   8   8.162  11.583  -6.862
   90    QD   ARG   8           QD       ARG   8   6.984  12.788  -5.084
   91    QH1  ARG   8           QH1      ARG   8   3.964  11.533  -5.346
   92    QH2  ARG   8           QH2      ARG   8   4.187  11.997  -8.512
   93    H    SER   9           HN       SER   9   4.331   9.206  -6.115
   94    HA   SER   9           HA       SER   9   4.985   7.598  -8.445
   95   1HB   SER   9          2HB       SER   9   2.751   7.593  -7.088
   96   2HB   SER   9          3HB       SER   9   2.310   8.981  -8.093
   97    HG   SER   9           HG       SER   9   2.621   7.791  -9.912
   98    QB   SER   9           QB       SER   9   2.530   8.287  -7.591
   99    H    GLY  10           HN       GLY  10   6.561   9.252  -9.260
  100   1HA   GLY  10          1HA       GLY  10   6.120  11.731 -10.346
  101   2HA   GLY  10          2HA       GLY  10   7.057  10.523 -11.213
  102    QA   GLY  10           QA       GLY  10   6.588  11.127 -10.780
  103    H    CYS  11           HN       CYS  11   5.249   8.727 -11.959
  104    HA   CYS  11           HA       CYS  11   3.395  10.238 -13.770
  105   1HB   CYS  11          2HB       CYS  11   4.504   7.452 -14.196
  106   2HB   CYS  11          3HB       CYS  11   3.761   8.490 -15.381
  107    HG   CYS  11           HG       CYS  11   5.913   9.679 -15.777
  108    QB   CYS  11           QB       CYS  11   4.133   7.971 -14.788
  109    HA   PRO  12           HA       PRO  12   0.264   7.075 -12.248
  110   1HB   PRO  12          2HB       PRO  12   0.466   5.798 -14.958
  111   2HB   PRO  12          3HB       PRO  12  -0.973   6.164 -13.994
  112   1HG   PRO  12          2HG       PRO  12  -0.293   7.728 -16.102
  113   2HG   PRO  12          3HG       PRO  12  -0.980   8.442 -14.636
  114   1HD   PRO  12          2HD       PRO  12   1.865   8.449 -15.588
  115   2HD   PRO  12          3HD       PRO  12   0.996   9.686 -14.654
  116    QB   PRO  12           QB       PRO  12  -0.253   5.981 -14.476
  117    QG   PRO  12           QG       PRO  12  -0.636   8.085 -15.369
  118    QD   PRO  12           QD       PRO  12   1.430   9.067 -15.121
  119    OH   TYR  13           OH       TYR  13   8.719   1.560  -9.206
  120    H    TYR  13           HN       TYR  13   2.298   6.547 -11.012
  121    HA   TYR  13           HA       TYR  13   3.387   3.889 -11.829
  122   1HB   TYR  13          2HB       TYR  13   5.102   5.662 -11.923
  123   2HB   TYR  13          3HB       TYR  13   4.743   6.127 -10.269
  124    HD1  TYR  13           HD2      TYR  13   5.273   2.753 -11.882
  125    HD2  TYR  13           HD1      TYR  13   6.570   5.539  -8.923
  126    HE1  TYR  13           HE2      TYR  13   6.969   1.158 -11.114
  127    HE2  TYR  13           HE1      TYR  13   8.276   3.938  -8.184
  128    HH   TYR  13           HH       TYR  13   9.516   2.063  -8.996
  129    QB   TYR  13           QB       TYR  13   4.923   5.895 -11.096
  130    QR   TYR  13           QR       TYR  13   6.772   3.347 -10.026
  131    H    CYS  14           HN       CYS  14   3.706   5.605  -8.692
  132    HA   CYS  14           HA       CYS  14   3.014   3.201  -7.234
  133   1HB   CYS  14          2HB       CYS  14   2.539   5.936  -6.062
  134   2HB   CYS  14          3HB       CYS  14   2.990   4.464  -5.256
  135    HG   CYS  14           HG       CYS  14   4.951   6.457  -6.512
  136    QB   CYS  14           QB       CYS  14   2.765   5.200  -5.659
  137    H    VAL  15           HN       VAL  15   1.299   5.784  -8.691
  138    HA   VAL  15           HA       VAL  15  -1.210   5.763  -7.573
  139    HB   VAL  15           HB       VAL  15  -0.683   5.566 -10.567
  140   1HG1  VAL  15          3HG1      VAL  15  -3.065   6.663  -9.015
  141   2HG1  VAL  15          1HG1      VAL  15  -2.856   6.773 -10.758
  142   3HG1  VAL  15          2HG1      VAL  15  -3.068   5.200  -9.995
  143   1HG2  VAL  15          1HG2      VAL  15   0.559   7.417  -9.475
  144   2HG2  VAL  15          2HG2      VAL  15  -0.723   8.050 -10.491
  145   3HG2  VAL  15          3HG2      VAL  15  -0.926   7.992  -8.741
  146    QG1  VAL  15           QG1      VAL  15  -2.996   6.212  -9.923
  147    QG2  VAL  15           QG2      VAL  15  -0.363   7.820  -9.569
  148    QQG  VAL  15           QQG      VAL  15  -1.680   7.016  -9.746
  149    NH1  ARG  16           NH1      ARG  16  -2.808  -0.401 -13.629
  150    NH2  ARG  16           NH2      ARG  16  -4.593   0.892 -13.022
  151    H    ARG  16           HN       ARG  16   0.239   3.098  -9.418
  152    HA   ARG  16           HA       ARG  16  -2.278   1.646  -9.619
  153   1HB   ARG  16          2HB       ARG  16   0.557   0.559  -9.780
  154   2HB   ARG  16          3HB       ARG  16  -0.893  -0.268 -10.325
  155   1HG   ARG  16          2HG       ARG  16   0.416   2.200 -11.496
  156   2HG   ARG  16          3HG       ARG  16   0.063   0.680 -12.299
  157   1HD   ARG  16          2HD       ARG  16  -1.901   2.833 -11.456
  158   2HD   ARG  16          3HD       ARG  16  -1.602   2.215 -13.076
  159    HE   ARG  16           HE       ARG  16  -2.959   0.606 -10.920
  160   1HH1  ARG  16          2HH1      ARG  16  -1.872  -0.693 -13.435
  161   2HH1  ARG  16          1HH1      ARG  16  -3.295  -0.779 -14.412
  162   1HH2  ARG  16          2HH2      ARG  16  -4.989   1.522 -12.338
  163   2HH2  ARG  16          1HH2      ARG  16  -5.139   0.602 -13.807
  164    QB   ARG  16           QB       ARG  16  -0.168   0.145 -10.053
  165    QG   ARG  16           QG       ARG  16   0.240   1.440 -11.898
  166    QD   ARG  16           QD       ARG  16  -1.752   2.524 -12.266
  167    QH1  ARG  16           QH1      ARG  16  -2.584  -0.736 -13.924
  168    QH2  ARG  16           QH2      ARG  16  -5.064   1.062 -13.073
  169    H    ALA  17           HN       ALA  17   0.574   1.311  -7.503
  170    HA   ALA  17           HA       ALA  17  -0.389  -0.755  -5.846
  171   1HB   ALA  17          1HB       ALA  17   1.066   1.768  -4.949
  172   2HB   ALA  17          2HB       ALA  17   0.962   0.265  -4.035
  173   3HB   ALA  17          3HB       ALA  17   1.847   0.310  -5.551
  174    QB   ALA  17           QB       ALA  17   1.292   0.781  -4.845
  175    H    LYS  18           HN       LYS  18  -0.955   2.706  -5.789
  176    HA   LYS  18           HA       LYS  18  -2.801   2.846  -3.642
  177   1HB   LYS  18          2HB       LYS  18  -1.758   4.770  -5.054
  178   2HB   LYS  18          3HB       LYS  18  -3.082   4.504  -6.165
  179   1HG   LYS  18          2HG       LYS  18  -3.503   5.029  -3.200
  180   2HG   LYS  18          3HG       LYS  18  -3.446   6.319  -4.387
  181   1HD   LYS  18          2HD       LYS  18  -5.388   3.997  -4.528
  182   2HD   LYS  18          3HD       LYS  18  -5.781   5.536  -3.820
  183   1HE   LYS  18          2HE       LYS  18  -6.039   6.555  -5.829
  184   2HE   LYS  18          3HE       LYS  18  -4.635   5.764  -6.528
  185   1HZ   LYS  18          1HZ       LYS  18  -6.557   3.805  -6.127
  186   2HZ   LYS  18          2HZ       LYS  18  -7.368   5.105  -6.821
  187   3HZ   LYS  18          3HZ       LYS  18  -6.003   4.427  -7.608
  188    QB   LYS  18           QB       LYS  18  -2.420   4.637  -5.609
  189    QG   LYS  18           QG       LYS  18  -3.474   5.674  -3.793
  190    QD   LYS  18           QD       LYS  18  -5.585   4.766  -4.174
  191    QE   LYS  18           QE       LYS  18  -5.337   6.159  -6.178
  192    QZ   LYS  18           QZ       LYS  18  -6.643   4.446  -6.852
  193    H    ASP  19           HN       ASP  19  -3.597   2.620  -7.154
  194    HA   ASP  19           HA       ASP  19  -6.302   2.126  -7.031
  195   1HB   ASP  19          2HB       ASP  19  -4.207   0.740  -8.734
  196   2HB   ASP  19          3HB       ASP  19  -5.915   0.478  -8.969
  197    QB   ASP  19           QB       ASP  19  -5.061   0.609  -8.851
  198    H    LEU  20           HN       LEU  20  -3.874  -0.410  -6.870
  199    HA   LEU  20           HA       LEU  20  -5.513  -2.609  -6.340
  200   1HB   LEU  20          2HB       LEU  20  -3.119  -2.770  -6.843
  201   2HB   LEU  20          3HB       LEU  20  -2.710  -2.010  -5.322
  202    HG   LEU  20           HG       LEU  20  -3.490  -3.923  -4.057
  203   1HD1  LEU  20          2HD1      LEU  20  -4.422  -5.057  -6.730
  204   2HD1  LEU  20          3HD1      LEU  20  -4.457  -5.911  -5.196
  205   3HD1  LEU  20          1HD1      LEU  20  -5.485  -4.508  -5.435
  206   1HD2  LEU  20          3HD2      LEU  20  -1.235  -4.053  -5.129
  207   2HD2  LEU  20          1HD2      LEU  20  -1.959  -5.648  -4.979
  208   3HD2  LEU  20          2HD2      LEU  20  -1.957  -4.823  -6.531
  209    QB   LEU  20           QB       LEU  20  -2.914  -2.390  -6.083
  210    QD1  LEU  20           QD1      LEU  20  -4.788  -5.159  -5.787
  211    QD2  LEU  20           QD2      LEU  20  -1.717  -4.841  -5.546
  212    QQD  LEU  20           QQD      LEU  20  -3.253  -5.000  -5.667
  213    H    ALA  21           HN       ALA  21  -3.735  -0.755  -3.857
  214    HA   ALA  21           HA       ALA  21  -5.014  -1.942  -1.630
  215   1HB   ALA  21          2HB       ALA  21  -3.026  -0.454  -1.473
  216   2HB   ALA  21          3HB       ALA  21  -4.035   0.928  -1.888
  217   3HB   ALA  21          1HB       ALA  21  -4.301   0.054  -0.382
  218    QB   ALA  21           QB       ALA  21  -3.788   0.176  -1.248
  219    H    GLU  22           HN       GLU  22  -5.813   1.069  -3.263
  220    HA   GLU  22           HA       GLU  22  -8.099   1.901  -1.955
  221   1HB   GLU  22          2HB       GLU  22  -6.929   3.025  -3.863
  222   2HB   GLU  22          3HB       GLU  22  -7.662   1.875  -4.960
  223   1HG   GLU  22          2HG       GLU  22  -9.882   2.687  -4.429
  224   2HG   GLU  22          3HG       GLU  22  -9.245   3.726  -3.159
  225    QB   GLU  22           QB       GLU  22  -7.296   2.450  -4.412
  226    QG   GLU  22           QG       GLU  22  -9.563   3.207  -3.794
  227    H    LYS  23           HN       LYS  23  -8.022  -0.303  -4.727
  228    HA   LYS  23           HA       LYS  23 -10.783  -0.879  -4.729
  229   1HB   LYS  23          2HB       LYS  23  -8.655  -1.657  -6.279
  230   2HB   LYS  23          3HB       LYS  23  -9.005  -3.153  -5.427
  231   1HG   LYS  23          2HG       LYS  23 -10.979  -1.510  -7.068
  232   2HG   LYS  23          3HG       LYS  23 -10.278  -3.045  -7.528
  233   1HD   LYS  23          2HD       LYS  23 -12.237  -3.876  -6.685
  234   2HD   LYS  23          3HD       LYS  23 -11.373  -3.791  -5.165
  235   1HE   LYS  23          2HE       LYS  23 -12.590  -1.969  -4.414
  236   2HE   LYS  23          3HE       LYS  23 -12.829  -1.317  -6.019
  237   1HZ   LYS  23          1HZ       LYS  23 -14.164  -3.817  -5.787
  238   2HZ   LYS  23          2HZ       LYS  23 -14.602  -2.827  -4.474
  239   3HZ   LYS  23          3HZ       LYS  23 -14.829  -2.265  -6.066
  240    QB   LYS  23           QB       LYS  23  -8.830  -2.405  -5.853
  241    QG   LYS  23           QG       LYS  23 -10.628  -2.277  -7.298
  242    QD   LYS  23           QD       LYS  23 -11.805  -3.834  -5.925
  243    QE   LYS  23           QE       LYS  23 -12.710  -1.643  -5.216
  244    QZ   LYS  23           QZ       LYS  23 -14.532  -2.970  -5.442
  245    H    LEU  24           HN       LEU  24  -8.108  -2.684  -3.217
  246    HA   LEU  24           HA       LEU  24  -9.650  -4.675  -1.936
  247   1HB   LEU  24          2HB       LEU  24  -7.171  -3.283  -0.866
  248   2HB   LEU  24          3HB       LEU  24  -7.774  -4.841  -0.323
  249    HG   LEU  24           HG       LEU  24  -6.994  -4.283  -3.212
  250   1HD1  LEU  24          3HD1      LEU  24  -5.035  -4.050  -1.713
  251   2HD1  LEU  24          1HD1      LEU  24  -5.391  -5.619  -1.004
  252   3HD1  LEU  24          2HD1      LEU  24  -4.914  -5.500  -2.691
  253   1HD2  LEU  24          1HD2      LEU  24  -7.428  -6.877  -1.690
  254   2HD2  LEU  24          2HD2      LEU  24  -8.544  -6.190  -2.866
  255   3HD2  LEU  24          3HD2      LEU  24  -6.956  -6.740  -3.381
  256    QB   LEU  24           QB       LEU  24  -7.473  -4.062  -0.595
  257    QD1  LEU  24           QD1      LEU  24  -5.113  -5.056  -1.803
  258    QD2  LEU  24           QD2      LEU  24  -7.643  -6.602  -2.645
  259    QQD  LEU  24           QQD      LEU  24  -6.378  -5.829  -2.224
  260    H    SER  25           HN       SER  25  -8.868  -1.406  -0.811
  261    HA   SER  25           HA       SER  25 -10.359  -1.724   1.615
  262   1HB   SER  25          2HB       SER  25 -10.184   0.923   1.579
  263   2HB   SER  25          3HB       SER  25  -8.697  -0.023   1.738
  264    HG   SER  25           HG       SER  25  -9.702   0.405  -0.813
  265    QB   SER  25           QB       SER  25  -9.441   0.450   1.658
  266    H    ASN  26           HN       ASN  26 -11.395  -1.417  -1.450
  267    HA   ASN  26           HA       ASN  26 -14.071  -0.362  -0.622
  268   1HB   ASN  26          2HB       ASN  26 -13.108   1.080  -2.317
  269   2HB   ASN  26          3HB       ASN  26 -12.631  -0.293  -3.293
  270   1HD2  ASN  26          2HD2      ASN  26 -16.591   0.835  -3.299
  271   2HD2  ASN  26          1HD2      ASN  26 -15.613   1.266  -1.981
  272    QB   ASN  26           QB       ASN  26 -12.870   0.393  -2.805
  273    QD2  ASN  26           QD2      ASN  26 -16.102   1.050  -2.640
  274    H    GLU  27           HN       GLU  27 -12.934  -2.969  -0.281
  275    HA   GLU  27           HA       GLU  27 -15.043  -4.580  -1.647
  276   1HB   GLU  27          2HB       GLU  27 -12.143  -5.472  -1.346
  277   2HB   GLU  27          3HB       GLU  27 -13.454  -6.434  -2.011
  278   1HG   GLU  27          2HG       GLU  27 -12.761  -3.777  -3.226
  279   2HG   GLU  27          3HG       GLU  27 -11.843  -5.204  -3.651
  280    QB   GLU  27           QB       GLU  27 -12.798  -5.953  -1.678
  281    QG   GLU  27           QG       GLU  27 -12.302  -4.491  -3.438
  282    NH1  ARG  28           NH1      ARG  28  -9.770  -7.307   4.748
  283    NH2  ARG  28           NH2      ARG  28 -11.100  -9.049   5.307
  284    H    ARG  28           HN       ARG  28 -12.416  -4.610   0.709
  285    HA   ARG  28           HA       ARG  28 -13.964  -6.471   2.416
  286   1HB   ARG  28          2HB       ARG  28 -11.215  -5.308   2.924
  287   2HB   ARG  28          3HB       ARG  28 -11.926  -6.749   3.629
  288   1HG   ARG  28          2HG       ARG  28 -12.093  -7.659   1.209
  289   2HG   ARG  28          3HG       ARG  28 -11.028  -6.334   0.758
  290   1HD   ARG  28          2HD       ARG  28  -9.763  -8.407   1.233
  291   2HD   ARG  28          3HD       ARG  28  -9.329  -7.136   2.368
  292    HE   ARG  28           HE       ARG  28 -10.998  -9.551   2.922
  293   1HH1  ARG  28          2HH1      ARG  28  -9.328  -6.770   4.057
  294   2HH1  ARG  28          1HH1      ARG  28  -9.684  -7.045   5.714
  295   1HH2  ARG  28          2HH2      ARG  28 -11.608  -9.878   5.021
  296   2HH2  ARG  28          1HH2      ARG  28 -11.094  -8.751   6.274
  297    QB   ARG  28           QB       ARG  28 -11.571  -6.028   3.277
  298    QG   ARG  28           QG       ARG  28 -11.560  -6.996   0.984
  299    QD   ARG  28           QD       ARG  28  -9.546  -7.772   1.801
  300    QH1  ARG  28           QH1      ARG  28  -9.506  -6.907   4.886
  301    QH2  ARG  28           QH2      ARG  28 -11.351  -9.314   5.648
  302    H    ASP  29           HN       ASP  29 -13.263  -5.855   4.900
  303    HA   ASP  29           HA       ASP  29 -14.486  -3.176   5.349
  304   1HB   ASP  29          2HB       ASP  29 -15.289  -4.108   7.474
  305   2HB   ASP  29          3HB       ASP  29 -15.792  -5.135   6.141
  306    QB   ASP  29           QB       ASP  29 -15.541  -4.621   6.807
  307    H    ASP  30           HN       ASP  30 -12.043  -5.385   6.770
  308    HA   ASP  30           HA       ASP  30 -10.951  -3.194   8.405
  309   1HB   ASP  30          2HB       ASP  30  -9.348  -4.889   9.181
  310   2HB   ASP  30          3HB       ASP  30 -10.960  -5.594   9.152
  311    QB   ASP  30           QB       ASP  30 -10.154  -5.242   9.166
  312    H    PHE  31           HN       PHE  31 -10.791  -3.569   5.244
  313    HA   PHE  31           HA       PHE  31  -7.872  -3.047   5.012
  314   1HB   PHE  31          2HB       PHE  31  -9.062  -4.877   3.594
  315   2HB   PHE  31          3HB       PHE  31  -9.683  -3.532   2.654
  316    HD1  PHE  31          1HD       PHE  31  -7.813  -1.718   1.997
  317    HD2  PHE  31          2HD       PHE  31  -6.989  -5.790   2.909
  318    HE1  PHE  31          1HE       PHE  31  -5.660  -1.534   0.849
  319    HE2  PHE  31          2HE       PHE  31  -4.828  -5.596   1.782
  320    HZ   PHE  31           HZ       PHE  31  -4.151  -3.472   0.749
  321    QB   PHE  31           QB       PHE  31  -9.373  -4.205   3.124
  322    QR   PHE  31           QR       PHE  31  -6.323  -3.660   1.885
  323    H    GLN  32           HN       GLN  32  -7.327  -1.065   5.010
  324    HA   GLN  32           HA       GLN  32  -8.860   0.953   3.418
  325   1HB   GLN  32          2HB       GLN  32  -7.878   1.160   6.261
  326   2HB   GLN  32          3HB       GLN  32  -7.957   2.607   5.266
  327   1HG   GLN  32          2HG       GLN  32 -10.055   2.433   6.472
  328   2HG   GLN  32          3HG       GLN  32 -10.392   2.049   4.788
  329   1HE2  GLN  32          2HE2      GLN  32 -11.812  -1.002   5.767
  330   2HE2  GLN  32          1HE2      GLN  32 -11.757   0.258   4.632
  331    QB   GLN  32           QB       GLN  32  -7.918   1.884   5.764
  332    QG   GLN  32           QG       GLN  32 -10.223   2.241   5.630
  333    QE2  GLN  32           QE2      GLN  32 -11.784  -0.372   5.200
  334    OH   TYR  33           OH       TYR  33  -7.916   6.273  -2.045
  335    H    TYR  33           HN       TYR  33  -7.337   2.696   2.587
  336    HA   TYR  33           HA       TYR  33  -4.500   1.747   2.681
  337   1HB   TYR  33          2HB       TYR  33  -4.237   2.014   0.338
  338   2HB   TYR  33          3HB       TYR  33  -5.767   1.157   0.526
  339    HD1  TYR  33           HD1      TYR  33  -7.929   2.485   0.415
  340    HD2  TYR  33           HD2      TYR  33  -4.169   4.182  -0.636
  341    HE1  TYR  33           HE1      TYR  33  -9.076   4.313  -0.738
  342    HE2  TYR  33           HE2      TYR  33  -5.323   6.002  -1.796
  343    HH   TYR  33           HH       TYR  33  -8.168   5.939  -2.924
  344    QB   TYR  33           QB       TYR  33  -5.002   1.586   0.432
  345    QR   TYR  33           QR       TYR  33  -6.624   4.246  -0.689
  346    H    GLN  34           HN       GLN  34  -2.932   3.383   2.143
  347    HA   GLN  34           HA       GLN  34  -3.827   6.216   2.390
  348   1HB   GLN  34          2HB       GLN  34  -1.588   4.968   4.023
  349   2HB   GLN  34          3HB       GLN  34  -1.996   6.669   4.011
  350   1HG   GLN  34          2HG       GLN  34  -2.961   5.726   5.994
  351   2HG   GLN  34          3HG       GLN  34  -4.283   6.032   4.879
  352   1HE2  GLN  34          2HE2      GLN  34  -5.276   2.672   5.204
  353   2HE2  GLN  34          1HE2      GLN  34  -5.720   4.312   5.154
  354    QB   GLN  34           QB       GLN  34  -1.792   5.818   4.017
  355    QG   GLN  34           QG       GLN  34  -3.622   5.879   5.437
  356    QE2  GLN  34           QE2      GLN  34  -5.498   3.492   5.179
  357    OH   TYR  35           OH       TYR  35   3.244   9.992  -4.039
  358    H    TYR  35           HN       TYR  35  -2.409   7.700   1.472
  359    HA   TYR  35           HA       TYR  35  -0.002   6.569   0.090
  360   1HB   TYR  35          2HB       TYR  35  -1.648   7.031  -1.665
  361   2HB   TYR  35          3HB       TYR  35  -1.967   8.632  -0.994
  362    HD1  TYR  35           HD2      TYR  35   0.731   6.537  -2.520
  363    HD2  TYR  35           HD1      TYR  35  -0.522  10.491  -1.543
  364    HE1  TYR  35           HE2      TYR  35   2.644   7.450  -3.748
  365    HE2  TYR  35           HE1      TYR  35   1.423  11.390  -2.736
  366    HH   TYR  35           HH       TYR  35   3.966  10.172  -3.386
  367    QB   TYR  35           QB       TYR  35  -1.807   7.831  -1.329
  368    QR   TYR  35           QR       TYR  35   1.069   8.967  -2.637
  369    H    VAL  36           HN       VAL  36   1.704   7.432   1.107
  370    HA   VAL  36           HA       VAL  36   1.522  10.281   2.022
  371    HB   VAL  36           HB       VAL  36   3.350   8.117   3.142
  372   1HG1  VAL  36          1HG1      VAL  36   2.409  10.802   4.223
  373   2HG1  VAL  36          2HG1      VAL  36   3.452   9.676   5.081
  374   3HG1  VAL  36          3HG1      VAL  36   4.020  10.448   3.603
  375   1HG2  VAL  36          3HG2      VAL  36   0.633   8.996   4.193
  376   2HG2  VAL  36          1HG2      VAL  36   0.994   7.425   3.486
  377   3HG2  VAL  36          2HG2      VAL  36   1.734   7.893   5.012
  378    QG1  VAL  36           QG1      VAL  36   3.293  10.309   4.302
  379    QG2  VAL  36           QG2      VAL  36   1.120   8.105   4.230
  380    QQG  VAL  36           QQG      VAL  36   2.207   9.207   4.266
  381    H    ASP  37           HN       ASP  37   3.673  11.453   1.772
  382    HA   ASP  37           HA       ASP  37   5.239  10.185  -0.456
  383   1HB   ASP  37          2HB       ASP  37   3.650  12.141  -1.135
  384   2HB   ASP  37          3HB       ASP  37   4.827  13.168  -0.327
  385    QB   ASP  37           QB       ASP  37   4.238  12.654  -0.731
  386    H    ILE  38           HN       ILE  38   7.382  10.425  -0.421
  387    HA   ILE  38           HA       ILE  38   8.641  10.894   2.094
  388    HB   ILE  38           HB       ILE  38  10.757  10.679   0.800
  389   1HG1  ILE  38          2HG1      ILE  38   8.843  10.790  -1.574
  390   2HG1  ILE  38          3HG1      ILE  38  10.101  11.956  -1.205
  391   1HG2  ILE  38          2HG2      ILE  38   9.451   8.669   1.472
  392   2HG2  ILE  38          3HG2      ILE  38   8.547   8.750  -0.036
  393   3HG2  ILE  38          1HG2      ILE  38  10.271   8.401  -0.059
  394   1HD1  ILE  38          1HD1      ILE  38  11.819  10.165  -1.504
  395   2HD1  ILE  38          2HD1      ILE  38  10.536   9.040  -1.947
  396   3HD1  ILE  38          3HD1      ILE  38  10.869  10.435  -2.962
  397    QG1  ILE  38           QG1      ILE  38   9.472  11.373  -1.389
  398    QG2  ILE  38           QG2      ILE  38   9.423   8.606   0.459
  399    QD1  ILE  38           QD1      ILE  38  11.075   9.880  -2.138
  400    NH1  ARG  39           NH2      ARG  39  11.609  14.010   0.227
  401    NH2  ARG  39           NH1      ARG  39  13.472  15.092  -0.499
  402    H    ARG  39           HN       ARG  39   7.793  13.049  -0.439
  403    HA   ARG  39           HA       ARG  39   9.641  15.152   0.569
  404   1HB   ARG  39          2HB       ARG  39   9.239  14.641  -1.941
  405   2HB   ARG  39          3HB       ARG  39   7.666  15.380  -1.710
  406   1HG   ARG  39          2HG       ARG  39   9.284  17.036  -2.545
  407   2HG   ARG  39          3HG       ARG  39   8.727  17.467  -0.939
  408   1HD   ARG  39          2HD       ARG  39  11.284  17.616  -1.428
  409   2HD   ARG  39          3HD       ARG  39  10.785  16.854   0.078
  410    HE   ARG  39           HE       ARG  39  11.369  15.175  -2.345
  411   1HH1  ARG  39          2HH2      ARG  39  10.632  13.829   0.118
  412   2HH1  ARG  39          1HH2      ARG  39  12.118  13.533   0.963
  413   1HH2  ARG  39          2HH1      ARG  39  13.886  15.757  -1.125
  414   2HH2  ARG  39          1HH1      ARG  39  14.040  14.611   0.169
  415    QB   ARG  39           QB       ARG  39   8.453  15.011  -1.825
  416    QG   ARG  39           QG       ARG  39   9.006  17.252  -1.742
  417    QD   ARG  39           QD       ARG  39  11.034  17.235  -0.675
  418    QH1  ARG  39           QH2      ARG  39  11.375  13.681   0.541
  419    QH2  ARG  39           QH1      ARG  39  13.963  15.184  -0.478
  420    H    ALA  40           HN       ALA  40   6.222  14.662  -0.112
  421    HA   ALA  40           HA       ALA  40   5.121  16.981   0.929
  422   1HB   ALA  40          3HB       ALA  40   4.142  14.142   1.399
  423   2HB   ALA  40          1HB       ALA  40   3.162  15.591   1.575
  424   3HB   ALA  40          2HB       ALA  40   3.771  15.129  -0.011
  425    QB   ALA  40           QB       ALA  40   3.692  14.954   0.988
  426    H    GLU  41           HN       GLU  41   6.039  14.088   2.837
  427    HA   GLU  41           HA       GLU  41   5.748  15.717   5.306
  428   1HB   GLU  41          2HB       GLU  41   5.976  12.749   4.772
  429   2HB   GLU  41          3HB       GLU  41   6.122  13.404   6.397
  430   1HG   GLU  41          2HG       GLU  41   3.786  12.711   5.925
  431   2HG   GLU  41          3HG       GLU  41   3.877  14.447   6.194
  432    QB   GLU  41           QB       GLU  41   6.049  13.076   5.584
  433    QG   GLU  41           QG       GLU  41   3.831  13.579   6.060
  434    H    GLY  42           HN       GLY  42   8.000  16.234   3.600
  435   1HA   GLY  42          1HA       GLY  42  10.365  16.340   3.614
  436   2HA   GLY  42          2HA       GLY  42  10.063  16.840   5.264
  437    QA   GLY  42           QA       GLY  42  10.214  16.590   4.439
  438    H    ILE  43           HN       ILE  43  10.313  13.866   3.385
  439    HA   ILE  43           HA       ILE  43  11.723  12.580   5.668
  440    HB   ILE  43           HB       ILE  43  10.051  11.502   3.380
  441   1HG1  ILE  43          2HG1      ILE  43   9.815  11.195   6.388
  442   2HG1  ILE  43          3HG1      ILE  43   8.881  12.323   5.415
  443   1HG2  ILE  43          3HG2      ILE  43  12.046  10.049   3.629
  444   2HG2  ILE  43          1HG2      ILE  43  11.692   9.892   5.344
  445   3HG2  ILE  43          2HG2      ILE  43  10.588   9.227   4.159
  446   1HD1  ILE  43          2HD1      ILE  43   7.919  10.418   4.134
  447   2HD1  ILE  43          3HD1      ILE  43   8.819   9.292   5.151
  448   3HD1  ILE  43          1HD1      ILE  43   7.558  10.297   5.852
  449    QG1  ILE  43           QG1      ILE  43   9.348  11.759   5.902
  450    QG2  ILE  43           QG2      ILE  43  11.442   9.723   4.377
  451    QD1  ILE  43           QD1      ILE  43   8.099  10.002   5.046
  452    H    THR  44           HN       THR  44  13.605  11.493   5.292
  453    HA   THR  44           HA       THR  44  14.899  11.812   2.622
  454    HB   THR  44           HB       THR  44  17.033  12.376   3.709
  455    HG1  THR  44          1HG       THR  44  17.323  11.600   5.640
  456   1HG2  THR  44          3HG2      THR  44  15.348  14.301   3.700
  457   2HG2  THR  44          1HG2      THR  44  14.849  13.793   5.311
  458   3HG2  THR  44          2HG2      THR  44  16.485  14.380   5.044
  459    QG2  THR  44           QG2      THR  44  15.560  14.158   4.685
  460    H    LYS  45           HN       LYS  45  16.949  10.228   2.716
  461    HA   LYS  45           HA       LYS  45  15.982   7.594   2.705
  462   1HB   LYS  45          2HB       LYS  45  18.108   8.307   1.640
  463   2HB   LYS  45          3HB       LYS  45  18.830   8.524   3.229
  464   1HG   LYS  45          2HG       LYS  45  18.659   6.143   3.709
  465   2HG   LYS  45          3HG       LYS  45  17.685   5.872   2.273
  466   1HD   LYS  45          2HD       LYS  45  20.023   5.178   1.872
  467   2HD   LYS  45          3HD       LYS  45  19.591   6.527   0.834
  468   1HE   LYS  45          2HE       LYS  45  21.825   6.868   1.828
  469   2HE   LYS  45          3HE       LYS  45  20.706   8.098   2.398
  470   1HZ   LYS  45          2HZ       LYS  45  20.628   5.813   4.097
  471   2HZ   LYS  45          3HZ       LYS  45  22.223   6.382   3.933
  472   3HZ   LYS  45          1HZ       LYS  45  20.988   7.439   4.469
  473    QB   LYS  45           QB       LYS  45  18.469   8.415   2.434
  474    QG   LYS  45           QG       LYS  45  18.172   6.007   2.991
  475    QD   LYS  45           QD       LYS  45  19.807   5.852   1.353
  476    QE   LYS  45           QE       LYS  45  21.266   7.483   2.113
  477    QZ   LYS  45           QZ       LYS  45  21.280   6.545   4.166
  478    H    GLU  46           HN       GLU  46  17.725   9.261   5.265
  479    HA   GLU  46           HA       GLU  46  18.146   7.236   7.112
  480   1HB   GLU  46          2HB       GLU  46  17.343  10.126   7.542
  481   2HB   GLU  46          3HB       GLU  46  17.859   9.081   8.860
  482   1HG   GLU  46          2HG       GLU  46  19.759  10.436   7.931
  483   2HG   GLU  46          3HG       GLU  46  20.040   8.710   7.770
  484    QB   GLU  46           QB       GLU  46  17.601   9.604   8.201
  485    QG   GLU  46           QG       GLU  46  19.900   9.573   7.851
  486    H    ASP  47           HN       ASP  47  15.146   9.167   6.977
  487    HA   ASP  47           HA       ASP  47  13.876   7.663   9.098
  488   1HB   ASP  47          2HB       ASP  47  13.095   9.916   8.458
  489   2HB   ASP  47          3HB       ASP  47  12.665   9.338   6.861
  490    QB   ASP  47           QB       ASP  47  12.880   9.627   7.659
  491    H    LEU  48           HN       LEU  48  13.429   7.567   5.558
  492    HA   LEU  48           HA       LEU  48  11.624   5.370   5.488
  493   1HB   LEU  48          2HB       LEU  48  13.306   6.820   3.587
  494   2HB   LEU  48          3HB       LEU  48  13.262   5.116   3.189
  495    HG   LEU  48           HG       LEU  48  10.772   6.773   3.747
  496   1HD1  LEU  48          3HD1      LEU  48  12.017   5.981   1.087
  497   2HD1  LEU  48          1HD1      LEU  48  10.438   6.723   1.281
  498   3HD1  LEU  48          2HD1      LEU  48  11.890   7.620   1.718
  499   1HD2  LEU  48          3HD2      LEU  48  10.565   4.287   4.047
  500   2HD2  LEU  48          1HD2      LEU  48   9.600   4.895   2.712
  501   3HD2  LEU  48          2HD2      LEU  48  11.115   4.073   2.385
  502    QB   LEU  48           QB       LEU  48  13.284   5.968   3.388
  503    QD1  LEU  48           QD1      LEU  48  11.449   6.775   1.362
  504    QD2  LEU  48           QD2      LEU  48  10.426   4.418   3.048
  505    QQD  LEU  48           QQD      LEU  48  10.938   5.597   2.205
  506    H    GLN  49           HN       GLN  49  15.106   5.431   5.515
  507    HA   GLN  49           HA       GLN  49  15.665   2.658   5.183
  508   1HB   GLN  49          2HB       GLN  49  17.214   4.797   5.209
  509   2HB   GLN  49          3HB       GLN  49  17.294   4.507   6.940
  510   1HG   GLN  49          2HG       GLN  49  18.143   2.218   6.504
  511   2HG   GLN  49          3HG       GLN  49  18.047   2.517   4.769
  512   1HE2  GLN  49          2HE2      GLN  49  21.211   3.905   6.822
  513   2HE2  GLN  49          1HE2      GLN  49  20.057   2.863   7.509
  514    QB   GLN  49           QB       GLN  49  17.254   4.652   6.074
  515    QG   GLN  49           QG       GLN  49  18.095   2.367   5.637
  516    QE2  GLN  49           QE2      GLN  49  20.634   3.384   7.166
  517    H    GLN  50           HN       GLN  50  15.057   4.706   7.977
  518    HA   GLN  50           HA       GLN  50  15.248   2.619   9.930
  519   1HB   GLN  50          2HB       GLN  50  14.506   5.463   9.762
  520   2HB   GLN  50          3HB       GLN  50  13.835   4.615  11.113
  521   1HG   GLN  50          2HG       GLN  50  16.793   4.576  10.401
  522   2HG   GLN  50          3HG       GLN  50  16.099   5.742  11.511
  523   1HE2  GLN  50          2HE2      GLN  50  15.260   2.293  13.278
  524   2HE2  GLN  50          1HE2      GLN  50  14.327   2.955  12.030
  525    QB   GLN  50           QB       GLN  50  14.170   5.039  10.437
  526    QG   GLN  50           QG       GLN  50  16.446   5.159  10.956
  527    QE2  GLN  50           QE2      GLN  50  14.794   2.624  12.654
  528    H    LYS  51           HN       LYS  51  12.719   3.741   7.824
  529    HA   LYS  51           HA       LYS  51  10.525   2.561   9.351
  530   1HB   LYS  51          2HB       LYS  51  10.744   3.642   6.535
  531   2HB   LYS  51          3HB       LYS  51   9.319   2.760   7.035
  532   1HG   LYS  51          2HG       LYS  51   9.039   4.374   8.938
  533   2HG   LYS  51          3HG       LYS  51  10.381   5.310   8.282
  534   1HD   LYS  51          2HD       LYS  51   9.166   5.657   6.172
  535   2HD   LYS  51          3HD       LYS  51   7.887   4.570   6.684
  536   1HE   LYS  51          2HE       LYS  51   7.245   6.972   6.921
  537   2HE   LYS  51          3HE       LYS  51   7.210   6.107   8.455
  538   1HZ   LYS  51          1HZ       LYS  51   9.790   7.106   8.120
  539   2HZ   LYS  51          2HZ       LYS  51   8.751   8.393   7.776
  540   3HZ   LYS  51          3HZ       LYS  51   8.652   7.578   9.263
  541    QB   LYS  51           QB       LYS  51  10.032   3.201   6.785
  542    QG   LYS  51           QG       LYS  51   9.710   4.842   8.610
  543    QD   LYS  51           QD       LYS  51   8.526   5.114   6.428
  544    QE   LYS  51           QE       LYS  51   7.227   6.540   7.688
  545    QZ   LYS  51           QZ       LYS  51   9.064   7.692   8.387
  546    H    ALA  52           HN       ALA  52  12.262   1.604   6.417
  547    HA   ALA  52           HA       ALA  52  10.948  -1.081   6.591
  548   1HB   ALA  52          2HB       ALA  52  10.744   0.094   4.430
  549   2HB   ALA  52          3HB       ALA  52  12.501   0.162   4.308
  550   3HB   ALA  52          1HB       ALA  52  11.679  -1.390   4.258
  551    QB   ALA  52           QB       ALA  52  11.641  -0.378   4.332
  552    H    GLY  53           HN       GLY  53  14.105   0.419   6.657
  553   1HA   GLY  53          1HA       GLY  53  15.868  -0.763   7.969
  554   2HA   GLY  53          2HA       GLY  53  15.313  -2.268   7.210
  555    QA   GLY  53           QA       GLY  53  15.590  -1.516   7.590
  556    H    LYS  54           HN       LYS  54  14.971  -1.788   4.760
  557    HA   LYS  54           HA       LYS  54  15.984  -1.629   2.682
  558   1HB   LYS  54          2HB       LYS  54  17.007   0.848   4.085
  559   2HB   LYS  54          3HB       LYS  54  17.378   0.539   2.399
  560   1HG   LYS  54          2HG       LYS  54  14.910   0.174   2.000
  561   2HG   LYS  54          3HG       LYS  54  14.628   0.696   3.652
  562   1HD   LYS  54          2HD       LYS  54  15.710   2.899   3.086
  563   2HD   LYS  54          3HD       LYS  54  15.850   2.352   1.418
  564   1HE   LYS  54          2HE       LYS  54  13.767   3.671   1.739
  565   2HE   LYS  54          3HE       LYS  54  13.412   2.001   1.307
  566   1HZ   LYS  54          2HZ       LYS  54  13.683   2.362   4.144
  567   2HZ   LYS  54          3HZ       LYS  54  12.450   3.318   3.503
  568   3HZ   LYS  54          1HZ       LYS  54  12.414   1.658   3.259
  569    QB   LYS  54           QB       LYS  54  17.193   0.694   3.242
  570    QG   LYS  54           QG       LYS  54  14.769   0.435   2.826
  571    QD   LYS  54           QD       LYS  54  15.780   2.626   2.252
  572    QE   LYS  54           QE       LYS  54  13.589   2.836   1.523
  573    QZ   LYS  54           QZ       LYS  54  12.849   2.446   3.635
  574    HA   PRO  55           HA       PRO  55  19.796  -2.016   1.257
  575   1HB   PRO  55          2HB       PRO  55  18.158  -2.943  -0.843
  576   2HB   PRO  55          3HB       PRO  55  19.400  -3.899  -0.023
  577   1HG   PRO  55          2HG       PRO  55  16.419  -3.905   0.384
  578   2HG   PRO  55          3HG       PRO  55  17.565  -5.244   0.532
  579   1HD   PRO  55          2HD       PRO  55  16.498  -3.953   2.716
  580   2HD   PRO  55          3HD       PRO  55  18.111  -4.674   2.744
  581    QB   PRO  55           QB       PRO  55  18.779  -3.421  -0.433
  582    QG   PRO  55           QG       PRO  55  16.992  -4.575   0.458
  583    QD   PRO  55           QD       PRO  55  17.305  -4.314   2.730
  584    H    VAL  56           HN       VAL  56  19.824  -0.110   0.041
  585    HA   VAL  56           HA       VAL  56  17.569   1.677   0.426
  586    HB   VAL  56           HB       VAL  56  19.837   2.475   0.637
  587   1HG1  VAL  56          2HG1      VAL  56  20.897   1.000  -1.004
  588   2HG1  VAL  56          3HG1      VAL  56  20.096   1.855  -2.313
  589   3HG1  VAL  56          1HG1      VAL  56  21.294   2.681  -1.326
  590   1HG2  VAL  56          3HG2      VAL  56  18.110   4.091  -0.051
  591   2HG2  VAL  56          1HG2      VAL  56  19.669   4.496  -0.758
  592   3HG2  VAL  56          2HG2      VAL  56  18.433   3.729  -1.743
  593    QG1  VAL  56           QG1      VAL  56  20.762   1.845  -1.547
  594    QG2  VAL  56           QG2      VAL  56  18.737   4.105  -0.851
  595    QQG  VAL  56           QQG      VAL  56  19.750   2.975  -1.199
  596    H    GLU  57           HN       GLU  57  16.059   0.148  -0.749
  597    HA   GLU  57           HA       GLU  57  16.286   0.077  -3.655
  598   1HB   GLU  57          2HB       GLU  57  13.913  -0.905  -3.488
  599   2HB   GLU  57          3HB       GLU  57  15.217  -1.823  -2.757
  600   1HG   GLU  57          2HG       GLU  57  14.586  -1.121  -0.541
  601   2HG   GLU  57          3HG       GLU  57  13.504   0.118  -1.170
  602    QB   GLU  57           QB       GLU  57  14.565  -1.364  -3.122
  603    QG   GLU  57           QG       GLU  57  14.045  -0.502  -0.855
  604    H    THR  58           HN       THR  58  16.233   2.672  -2.545
  605    HA   THR  58           HA       THR  58  15.199   4.768  -2.684
  606    HB   THR  58           HB       THR  58  14.810   5.300  -5.104
  607    HG1  THR  58          1HG       THR  58  14.156   2.660  -5.041
  608   1HG2  THR  58          1HG2      THR  58  17.198   4.926  -4.291
  609   2HG2  THR  58          2HG2      THR  58  17.036   3.230  -4.740
  610   3HG2  THR  58          3HG2      THR  58  16.967   4.479  -5.979
  611    QG2  THR  58           QG2      THR  58  17.067   4.212  -5.003
  612    H    VAL  59           HN       VAL  59  13.075   4.138  -5.164
  613    HA   VAL  59           HA       VAL  59  10.705   4.104  -3.374
  614    HB   VAL  59           HB       VAL  59   9.614   5.734  -4.957
  615   1HG1  VAL  59          3HG1      VAL  59  12.216   6.697  -3.717
  616   2HG1  VAL  59          1HG1      VAL  59  10.864   7.724  -4.180
  617   3HG1  VAL  59          2HG1      VAL  59  10.673   6.555  -2.881
  618   1HG2  VAL  59          1HG2      VAL  59  12.419   5.956  -6.124
  619   2HG2  VAL  59          2HG2      VAL  59  11.012   5.289  -6.950
  620   3HG2  VAL  59          3HG2      VAL  59  11.053   6.993  -6.525
  621    QG1  VAL  59           QG1      VAL  59  11.251   6.992  -3.592
  622    QG2  VAL  59           QG2      VAL  59  11.495   6.080  -6.533
  623    QQG  VAL  59           QQG      VAL  59  11.373   6.536  -5.063
  624    HA   PRO  60           HA       PRO  60   8.740   4.162  -3.570
  625   1HB   PRO  60          2HB       PRO  60   6.384   2.819  -3.658
  626   2HB   PRO  60          3HB       PRO  60   6.804   4.005  -4.906
  627   1HG   PRO  60          2HG       PRO  60   6.799   1.013  -5.068
  628   2HG   PRO  60          3HG       PRO  60   6.522   2.197  -6.349
  629   1HD   PRO  60          2HD       PRO  60   8.976   0.806  -5.780
  630   2HD   PRO  60          3HD       PRO  60   8.740   2.105  -6.967
  631    QB   PRO  60           QB       PRO  60   6.594   3.412  -4.282
  632    QG   PRO  60           QG       PRO  60   6.660   1.605  -5.709
  633    QD   PRO  60           QD       PRO  60   8.858   1.456  -6.374
  634    H    GLN  61           HN       GLN  61   7.342   3.167  -1.677
  635    HA   GLN  61           HA       GLN  61   8.408   0.535  -0.771
  636   1HB   GLN  61          2HB       GLN  61   8.559   3.187   0.674
  637   2HB   GLN  61          3HB       GLN  61   8.515   1.672   1.565
  638   1HG   GLN  61          2HG       GLN  61  10.434   1.318  -0.513
  639   2HG   GLN  61          3HG       GLN  61  10.764   2.886   0.221
  640   1HE2  GLN  61          2HE2      GLN  61  11.865  -0.378   2.194
  641   2HE2  GLN  61          1HE2      GLN  61  11.514  -0.327   0.532
  642    QB   GLN  61           QB       GLN  61   8.537   2.429   1.119
  643    QG   GLN  61           QG       GLN  61  10.599   2.102  -0.146
  644    QE2  GLN  61           QE2      GLN  61  11.690  -0.353   1.363
  645    H    ILE  62           HN       ILE  62   6.858  -0.713   0.132
  646    HA   ILE  62           HA       ILE  62   4.261   0.607   0.858
  647    HB   ILE  62           HB       ILE  62   4.749  -2.211  -0.154
  648   1HG1  ILE  62          2HG1      ILE  62   3.741   0.325  -1.469
  649   2HG1  ILE  62          3HG1      ILE  62   5.106  -0.671  -1.940
  650   1HG2  ILE  62          3HG2      ILE  62   2.162  -0.726   0.466
  651   2HG2  ILE  62          1HG2      ILE  62   2.262  -2.333  -0.256
  652   3HG2  ILE  62          2HG2      ILE  62   2.822  -2.071   1.386
  653   1HD1  ILE  62          3HD1      ILE  62   3.563  -2.543  -2.449
  654   2HD1  ILE  62          1HD1      ILE  62   2.192  -1.506  -2.065
  655   3HD1  ILE  62          2HD1      ILE  62   3.231  -1.121  -3.428
  656    QG1  ILE  62           QG1      ILE  62   4.423  -0.173  -1.704
  657    QG2  ILE  62           QG2      ILE  62   2.415  -1.710   0.532
  658    QD1  ILE  62           QD1      ILE  62   2.995  -1.723  -2.647
  659    H    PHE  63           HN       PHE  63   3.298   0.128   2.676
  660    HA   PHE  63           HA       PHE  63   4.560  -1.796   4.586
  661   1HB   PHE  63          2HB       PHE  63   3.591   1.015   5.215
  662   2HB   PHE  63          3HB       PHE  63   4.088  -0.163   6.422
  663    HD1  PHE  63          2HD       PHE  63   5.326   1.782   3.488
  664    HD2  PHE  63          1HD       PHE  63   6.376  -0.478   6.943
  665    HE1  PHE  63          2HE       PHE  63   7.651   2.539   3.284
  666    HE2  PHE  63          1HE       PHE  63   8.706   0.253   6.714
  667    HZ   PHE  63           HZ       PHE  63   9.354   1.745   4.859
  668    QB   PHE  63           QB       PHE  63   3.840   0.426   5.819
  669    QR   PHE  63           QR       PHE  63   7.015   1.024   5.107
  670    H    VAL  64           HN       VAL  64   3.180  -2.732   6.046
  671    HA   VAL  64           HA       VAL  64   0.241  -2.330   5.589
  672    HB   VAL  64           HB       VAL  64   1.613  -4.966   6.270
  673   1HG1  VAL  64          2HG1      VAL  64  -0.730  -4.691   7.064
  674   2HG1  VAL  64          3HG1      VAL  64  -1.236  -4.296   5.424
  675   3HG1  VAL  64          1HG1      VAL  64  -0.620  -5.899   5.805
  676   1HG2  VAL  64          1HG2      VAL  64   0.492  -3.999   3.614
  677   2HG2  VAL  64          2HG2      VAL  64   2.192  -4.282   3.964
  678   3HG2  VAL  64          3HG2      VAL  64   1.065  -5.631   3.936
  679    QG1  VAL  64           QG1      VAL  64  -0.862  -4.962   6.098
  680    QG2  VAL  64           QG2      VAL  64   1.250  -4.638   3.838
  681    QQG  VAL  64           QQG      VAL  64   0.194  -4.800   4.968
  682    H    ASP  65           HN       ASP  65  -0.478  -1.394   7.384
  683    HA   ASP  65           HA       ASP  65  -0.926  -0.968   9.632
  684   1HB   ASP  65          2HB       ASP  65   0.425  -3.569  10.373
  685   2HB   ASP  65          3HB       ASP  65  -0.910  -2.773  11.174
  686    QB   ASP  65           QB       ASP  65  -0.242  -3.171  10.773
  687    H    GLN  66           HN       GLN  66   1.942  -2.836  10.008
  688    HA   GLN  66           HA       GLN  66   3.544  -0.438  10.636
  689   1HB   GLN  66          2HB       GLN  66   2.573  -1.268  12.779
  690   2HB   GLN  66          3HB       GLN  66   3.299  -2.844  12.484
  691   1HG   GLN  66          2HG       GLN  66   5.533  -1.939  12.641
  692   2HG   GLN  66          3HG       GLN  66   4.929  -0.286  12.637
  693   1HE2  GLN  66          2HE2      GLN  66   4.545  -0.274  16.116
  694   2HE2  GLN  66          1HE2      GLN  66   4.730   0.607  14.679
  695    QB   GLN  66           QB       GLN  66   2.936  -2.056  12.631
  696    QG   GLN  66           QG       GLN  66   5.231  -1.112  12.639
  697    QE2  GLN  66           QE2      GLN  66   4.637   0.167  15.397
  698    H    GLN  67           HN       GLN  67   3.286  -3.417   9.148
  699    HA   GLN  67           HA       GLN  67   6.150  -4.080   9.258
  700   1HB   GLN  67          2HB       GLN  67   3.692  -5.399   8.052
  701   2HB   GLN  67          3HB       GLN  67   5.303  -6.020   7.827
  702   1HG   GLN  67          2HG       GLN  67   4.296  -7.219   9.674
  703   2HG   GLN  67          3HG       GLN  67   5.550  -6.177  10.326
  704   1HE2  GLN  67          2HE2      GLN  67   1.734  -4.776  10.906
  705   2HE2  GLN  67          1HE2      GLN  67   2.200  -5.223   9.337
  706    QB   GLN  67           QB       GLN  67   4.498  -5.710   7.940
  707    QG   GLN  67           QG       GLN  67   4.923  -6.698  10.000
  708    QE2  GLN  67           QE2      GLN  67   1.967  -4.999  10.122
  709    H    HIS  68           HN       HIS  68   7.135  -4.685   7.102
  710    HA   HIS  68           HA       HIS  68   6.310  -2.743   4.975
  711   1HB   HIS  68          2HB       HIS  68   8.459  -2.153   6.098
  712   2HB   HIS  68          3HB       HIS  68   9.106  -3.709   5.645
  713    HD1  HIS  68           HD1      HIS  68  10.258  -3.735   3.482
  714    HD2  HIS  68           HD2      HIS  68   7.633  -0.577   3.593
  715    HE1  HIS  68           HE1      HIS  68  10.610  -2.436   1.347
  716    QB   HIS  68           QB       HIS  68   8.782  -2.931   5.871
  717    H    ILE  69           HN       ILE  69   6.572  -3.529   2.805
  718    HA   ILE  69           HA       ILE  69   6.806  -6.528   2.683
  719    HB   ILE  69           HB       ILE  69   5.225  -4.739   0.801
  720   1HG1  ILE  69          2HG1      ILE  69   4.178  -4.705   3.025
  721   2HG1  ILE  69          3HG1      ILE  69   3.196  -5.642   1.915
  722   1HG2  ILE  69          1HG2      ILE  69   5.348  -7.763   1.128
  723   2HG2  ILE  69          2HG2      ILE  69   4.247  -6.912   0.055
  724   3HG2  ILE  69          3HG2      ILE  69   5.981  -6.839  -0.225
  725   1HD1  ILE  69          1HD1      ILE  69   4.213  -7.742   2.837
  726   2HD1  ILE  69          2HD1      ILE  69   5.105  -6.765   3.999
  727   3HD1  ILE  69          3HD1      ILE  69   3.348  -6.815   4.056
  728    QG1  ILE  69           QG1      ILE  69   3.687  -5.173   2.470
  729    QG2  ILE  69           QG2      ILE  69   5.192  -7.171   0.319
  730    QD1  ILE  69           QD1      ILE  69   4.222  -7.107   3.631
  731    H    GLY  70           HN       GLY  70   7.273  -3.590   0.789
  732   1HA   GLY  70          1HA       GLY  70   9.891  -3.953  -0.021
  733   2HA   GLY  70          2HA       GLY  70   8.967  -4.919  -1.176
  734    QA   GLY  70           QA       GLY  70   9.429  -4.436  -0.598
  735    H    GLY  71           HN       GLY  71   9.753  -3.357  -2.782
  736   1HA   GLY  71          1HA       GLY  71   8.632  -0.649  -2.600
  737   2HA   GLY  71          2HA       GLY  71   9.626  -1.245  -3.923
  738    QA   GLY  71           QA       GLY  71   9.129  -0.947  -3.262
  739    OH   TYR  72           OH       TYR  72   1.373  -2.341  -9.876
  740    H    TYR  72           HN       TYR  72   8.422  -3.097  -5.199
  741    HA   TYR  72           HA       TYR  72   5.491  -2.763  -5.255
  742   1HB   TYR  72          2HB       TYR  72   6.390  -0.867  -6.673
  743   2HB   TYR  72          3HB       TYR  72   7.118  -2.069  -7.732
  744    HD1  TYR  72           HD2      TYR  72   3.788  -1.182  -6.228
  745    HD2  TYR  72           HD1      TYR  72   5.853  -2.872  -9.550
  746    HE1  TYR  72           HE2      TYR  72   1.670  -1.389  -7.445
  747    HE2  TYR  72           HE1      TYR  72   3.738  -3.065 -10.763
  748    HH   TYR  72           HH       TYR  72   0.733  -2.793  -9.311
  749    QB   TYR  72           QB       TYR  72   6.754  -1.468  -7.202
  750    QR   TYR  72           QR       TYR  72   3.762  -2.127  -8.496
  751    H    THR  73           HN       THR  73   4.718  -4.099  -7.354
  752    HA   THR  73           HA       THR  73   4.586  -6.202  -8.355
  753    HB   THR  73           HB       THR  73   7.572  -6.362  -7.836
  754    HG1  THR  73          1HG       THR  73   7.586  -4.947  -9.418
  755   1HG2  THR  73          2HG2      THR  73   5.784  -7.721  -9.899
  756   2HG2  THR  73          3HG2      THR  73   7.526  -7.916  -9.757
  757   3HG2  THR  73          1HG2      THR  73   6.469  -8.549  -8.502
  758    QG2  THR  73           QG2      THR  73   6.593  -8.062  -9.386
  759    H    ASP  74           HN       ASP  74   7.038  -6.712  -5.823
  760    HA   ASP  74           HA       ASP  74   6.358  -9.220  -4.889
  761   1HB   ASP  74          2HB       ASP  74   8.205  -7.664  -4.073
  762   2HB   ASP  74          3HB       ASP  74   7.001  -6.832  -3.104
  763    QB   ASP  74           QB       ASP  74   7.603  -7.248  -3.589
  764    H    PHE  75           HN       PHE  75   5.025  -6.188  -3.782
  765    HA   PHE  75           HA       PHE  75   3.212  -6.910  -1.856
  766   1HB   PHE  75          2HB       PHE  75   3.626  -4.597  -2.537
  767   2HB   PHE  75          3HB       PHE  75   2.786  -4.862  -4.062
  768    HD1  PHE  75          2HD       PHE  75   2.105  -5.447  -0.390
  769    HD2  PHE  75          1HD       PHE  75   0.619  -4.048  -4.128
  770    HE1  PHE  75          2HE       PHE  75  -0.007  -4.794   0.693
  771    HE2  PHE  75          1HE       PHE  75  -1.497  -3.418  -3.049
  772    HZ   PHE  75           HZ       PHE  75  -1.821  -3.809  -0.644
  773    QB   PHE  75           QB       PHE  75   3.206  -4.730  -3.300
  774    QR   PHE  75           QR       PHE  75   0.305  -4.427  -1.719
  775    H    ALA  76           HN       ALA  76   2.708  -7.362  -5.344
  776    HA   ALA  76           HA       ALA  76  -0.077  -7.883  -5.348
  777   1HB   ALA  76          3HB       ALA  76   2.087  -9.322  -6.935
  778   2HB   ALA  76          1HB       ALA  76   0.367  -9.320  -7.321
  779   3HB   ALA  76          2HB       ALA  76   1.292  -7.825  -7.409
  780    QB   ALA  76           QB       ALA  76   1.249  -8.823  -7.222
  781    H    ALA  77           HN       ALA  77   2.620 -10.085  -4.712
  782    HA   ALA  77           HA       ALA  77   1.068 -12.449  -4.272
  783   1HB   ALA  77          1HB       ALA  77   3.732 -11.611  -3.046
  784   2HB   ALA  77          2HB       ALA  77   3.068 -13.243  -2.997
  785   3HB   ALA  77          3HB       ALA  77   3.526 -12.523  -4.539
  786    QB   ALA  77           QB       ALA  77   3.442 -12.459  -3.528
  787    CH2  TRP  78           CH2      TRP  78  -1.921  -6.881   3.563
  788    H    TRP  78           HN       TRP  78   2.419 -10.079  -2.027
  789    HA   TRP  78           HA       TRP  78   1.393 -11.049   0.393
  790   1HB   TRP  78          2HB       TRP  78   2.797  -8.990   0.196
  791   2HB   TRP  78          3HB       TRP  78   1.403  -8.130  -0.403
  792    HD1  TRP  78           HD1      TRP  78   2.709  -9.802   2.848
  793    HE1  TRP  78           HE1      TRP  78   1.242  -9.173   4.789
  794    HE3  TRP  78           HE3      TRP  78  -0.737  -7.099   0.381
  795    HZ2  TRP  78           HZ2      TRP  78  -1.023  -7.786   5.281
  796    HZ3  TRP  78           HZ3      TRP  78  -2.594  -6.113   1.690
  797    HH2  TRP  78           HH2      TRP  78  -2.731  -6.438   4.121
  798    QB   TRP  78           QB       TRP  78   2.100  -8.560  -0.104
  799    H    VAL  79           HN       VAL  79  -0.244  -8.801  -1.825
  800    HA   VAL  79           HA       VAL  79  -2.719  -8.727  -0.428
  801    HB   VAL  79           HB       VAL  79  -2.227  -8.619  -3.433
  802   1HG1  VAL  79          3HG1      VAL  79  -4.626  -9.003  -2.819
  803   2HG1  VAL  79          1HG1      VAL  79  -4.567  -7.566  -1.811
  804   3HG1  VAL  79          2HG1      VAL  79  -4.372  -7.425  -3.547
  805   1HG2  VAL  79          2HG2      VAL  79  -2.417  -6.417  -1.338
  806   2HG2  VAL  79          3HG2      VAL  79  -0.950  -6.907  -2.176
  807   3HG2  VAL  79          1HG2      VAL  79  -2.264  -6.154  -3.068
  808    QG1  VAL  79           QG1      VAL  79  -4.522  -7.998  -2.725
  809    QG2  VAL  79           QG2      VAL  79  -1.877  -6.493  -2.194
  810    QQG  VAL  79           QQG      VAL  79  -3.199  -7.245  -2.460
  811    H    LYS  80           HN       LYS  80  -1.520 -10.941  -2.859
  812    HA   LYS  80           HA       LYS  80  -3.846 -12.548  -3.154
  813   1HB   LYS  80          2HB       LYS  80  -1.544 -12.344  -4.498
  814   2HB   LYS  80          3HB       LYS  80  -1.108 -13.725  -3.513
  815   1HG   LYS  80          2HG       LYS  80  -3.689 -13.671  -5.123
  816   2HG   LYS  80          3HG       LYS  80  -2.173 -14.183  -5.838
  817   1HD   LYS  80          2HD       LYS  80  -2.714 -16.253  -5.086
  818   2HD   LYS  80          3HD       LYS  80  -2.189 -15.663  -3.515
  819   1HE   LYS  80          2HE       LYS  80  -4.778 -14.750  -3.540
  820   2HE   LYS  80          3HE       LYS  80  -4.938 -16.199  -4.524
  821   1HZ   LYS  80          2HZ       LYS  80  -3.350 -16.840  -2.317
  822   2HZ   LYS  80          3HZ       LYS  80  -4.686 -15.963  -1.747
  823   3HZ   LYS  80          1HZ       LYS  80  -4.931 -17.378  -2.653
  824    QB   LYS  80           QB       LYS  80  -1.326 -13.035  -4.005
  825    QG   LYS  80           QG       LYS  80  -2.931 -13.927  -5.481
  826    QD   LYS  80           QD       LYS  80  -2.451 -15.958  -4.300
  827    QE   LYS  80           QE       LYS  80  -4.858 -15.474  -4.032
  828    QZ   LYS  80           QZ       LYS  80  -4.322 -16.727  -2.239
  829    H    GLU  81           HN       GLU  81  -1.101 -13.003  -0.836
  830    HA   GLU  81           HA       GLU  81  -2.726 -15.294   0.253
  831   1HB   GLU  81          2HB       GLU  81  -0.241 -15.654   1.376
  832   2HB   GLU  81          3HB       GLU  81  -0.811 -16.439  -0.081
  833   1HG   GLU  81          2HG       GLU  81   1.313 -15.551  -0.671
  834   2HG   GLU  81          3HG       GLU  81   0.173 -14.425  -1.374
  835    QB   GLU  81           QB       GLU  81  -0.526 -16.047   0.647
  836    QG   GLU  81           QG       GLU  81   0.743 -14.988  -1.022
  837    H    ASN  82           HN       ASN  82  -1.654 -12.195   1.237
  838    HA   ASN  82           HA       ASN  82  -1.887 -12.893   4.101
  839   1HB   ASN  82          2HB       ASN  82  -0.860 -10.580   2.586
  840   2HB   ASN  82          3HB       ASN  82  -1.791 -10.120   3.997
  841   1HD2  ASN  82          2HD2      ASN  82   1.568 -12.406   4.589
  842   2HD2  ASN  82          1HD2      ASN  82   0.677 -12.600   3.154
  843    QB   ASN  82           QB       ASN  82  -1.325 -10.350   3.291
  844    QD2  ASN  82           QD2      ASN  82   1.123 -12.503   3.871
  845    H    LEU  83           HN       LEU  83  -3.900 -11.801   1.567
  846    HA   LEU  83           HA       LEU  83  -5.913 -10.772   3.518
  847   1HB   LEU  83          2HB       LEU  83  -5.955 -10.660   0.477
  848   2HB   LEU  83          3HB       LEU  83  -7.085  -9.857   1.545
  849    HG   LEU  83           HG       LEU  83  -4.117  -9.279   1.300
  850   1HD1  LEU  83          3HD1      LEU  83  -5.656  -8.447  -0.494
  851   2HD1  LEU  83          1HD1      LEU  83  -6.565  -7.566   0.728
  852   3HD1  LEU  83          2HD1      LEU  83  -4.882  -7.152   0.401
  853   1HD2  LEU  83          3HD2      LEU  83  -6.206  -8.023   3.125
  854   2HD2  LEU  83          1HD2      LEU  83  -4.856  -9.022   3.649
  855   3HD2  LEU  83          2HD2      LEU  83  -4.554  -7.451   2.924
  856    QB   LEU  83           QB       LEU  83  -6.520 -10.259   1.011
  857    QD1  LEU  83           QD1      LEU  83  -5.701  -7.722   0.212
  858    QD2  LEU  83           QD2      LEU  83  -5.205  -8.165   3.233
  859    QQD  LEU  83           QQD      LEU  83  -5.453  -7.944   1.722
  860    H    ASP  84           HN       ASP  84  -6.192 -12.577   0.463
  861    HA   ASP  84           HA       ASP  84  -7.928 -14.112  -0.094
  862   1HB   ASP  84          2HB       ASP  84  -5.666 -15.083   1.399
  863   2HB   ASP  84          3HB       ASP  84  -7.035 -16.100   1.761
  864    QB   ASP  84           QB       ASP  84  -6.350 -15.592   1.580
  865    H    ALA  85           HN       ALA  85  -9.091 -12.307   1.574
  866    HA   ALA  85           HA       ALA  85 -11.355 -13.692   2.627
  867   1HB   ALA  85          2HB       ALA  85  -9.465 -12.432   4.658
  868   2HB   ALA  85          3HB       ALA  85 -11.069 -13.068   5.015
  869   3HB   ALA  85          1HB       ALA  85  -9.783 -14.158   4.502
  870    QB   ALA  85           QB       ALA  85 -10.106 -13.219   4.725
   
  Start of MODEL          12
 Raw file had 870 H/Q atoms
  Start of MODEL   12
    1    H    MET   1           HN       MET   1  -4.030  -4.386   8.176
    2    HA   MET   1           HA       MET   1  -6.389  -3.644   6.759
    3   1HB   MET   1          2HB       MET   1  -5.348  -2.763   9.481
    4   2HB   MET   1          3HB       MET   1  -6.982  -2.516   8.881
    5   1HG   MET   1          2HG       MET   1  -6.743  -4.515  10.367
    6   2HG   MET   1          3HG       MET   1  -7.423  -4.854   8.797
    7   1HE   MET   1          1HE       MET   1  -6.599  -5.961   7.059
    8   2HE   MET   1          2HE       MET   1  -5.248  -7.092   7.006
    9   3HE   MET   1          3HE       MET   1  -6.693  -7.485   7.942
   10    QB   MET   1           QB       MET   1  -6.165  -2.639   9.181
   11    QG   MET   1           QG       MET   1  -7.083  -4.684   9.582
   12    QE   MET   1           QE       MET   1  -6.180  -6.846   7.336
   13    H    GLN   2           HN       GLN   2  -3.761  -1.706   8.192
   14    HA   GLN   2           HA       GLN   2  -4.661   0.660   6.709
   15   1HB   GLN   2          2HB       GLN   2  -2.788   0.115   9.000
   16   2HB   GLN   2          3HB       GLN   2  -2.652   1.622   8.127
   17   1HG   GLN   2          2HG       GLN   2  -5.010   2.162   8.641
   18   2HG   GLN   2          3HG       GLN   2  -5.192   0.623   9.476
   19   1HE2  GLN   2          2HE2      GLN   2  -2.458   2.118  11.797
   20   2HE2  GLN   2          1HE2      GLN   2  -2.242   1.073  10.481
   21    QB   GLN   2           QB       GLN   2  -2.720   0.869   8.563
   22    QG   GLN   2           QG       GLN   2  -5.101   1.393   9.059
   23    QE2  GLN   2           QE2      GLN   2  -2.350   1.595  11.139
   24    H    THR   3           HN       THR   3  -3.955   0.356   4.601
   25    HA   THR   3           HA       THR   3  -1.132  -0.432   4.101
   26    HB   THR   3           HB       THR   3  -3.439   0.140   2.164
   27    HG1  THR   3          1HG       THR   3  -3.829  -1.794   2.991
   28   1HG2  THR   3          3HG2      THR   3  -0.688  -1.113   1.697
   29   2HG2  THR   3          1HG2      THR   3  -1.959  -0.953   0.494
   30   3HG2  THR   3          2HG2      THR   3  -1.156   0.481   1.117
   31    QG2  THR   3           QG2      THR   3  -1.268  -0.528   1.103
   32    H    VAL   4           HN       VAL   4   0.425   1.056   3.731
   33    HA   VAL   4           HA       VAL   4  -0.471   3.792   2.957
   34    HB   VAL   4           HB       VAL   4   1.748   3.243   4.949
   35   1HG1  VAL   4          2HG1      VAL   4   0.255   5.769   4.126
   36   2HG1  VAL   4          3HG1      VAL   4   1.487   5.694   5.379
   37   3HG1  VAL   4          1HG1      VAL   4   1.919   5.373   3.704
   38   1HG2  VAL   4          3HG2      VAL   4  -1.128   4.100   5.466
   39   2HG2  VAL   4          1HG2      VAL   4  -0.413   2.560   5.932
   40   3HG2  VAL   4          2HG2      VAL   4   0.150   4.050   6.678
   41    QG1  VAL   4           QG1      VAL   4   1.220   5.612   4.403
   42    QG2  VAL   4           QG2      VAL   4  -0.464   3.570   6.025
   43    QQG  VAL   4           QQG      VAL   4   0.378   4.591   5.214
   44    H    ILE   5           HN       ILE   5   0.747   4.792   1.529
   45    HA   ILE   5           HA       ILE   5   3.117   3.334   0.427
   46    HB   ILE   5           HB       ILE   5   1.245   5.354  -0.905
   47   1HG1  ILE   5          2HG1      ILE   5   0.643   3.487  -2.427
   48   2HG1  ILE   5          3HG1      ILE   5   1.645   2.395  -1.490
   49   1HG2  ILE   5          1HG2      ILE   5   3.628   3.826  -2.035
   50   2HG2  ILE   5          2HG2      ILE   5   2.532   4.841  -2.978
   51   3HG2  ILE   5          3HG2      ILE   5   3.562   5.565  -1.747
   52   1HD1  ILE   5          1HD1      ILE   5  -0.734   3.897  -0.333
   53   2HD1  ILE   5          2HD1      ILE   5  -0.830   2.255  -0.963
   54   3HD1  ILE   5          3HD1      ILE   5   0.165   2.594   0.437
   55    QG1  ILE   5           QG1      ILE   5   1.144   2.941  -1.959
   56    QG2  ILE   5           QG2      ILE   5   3.241   4.744  -2.253
   57    QD1  ILE   5           QD1      ILE   5  -0.466   2.915  -0.287
   58    H    PHE   6           HN       PHE   6   5.038   4.412   0.557
   59    HA   PHE   6           HA       PHE   6   4.963   7.285   1.418
   60   1HB   PHE   6          2HB       PHE   6   6.707   5.013   2.394
   61   2HB   PHE   6          3HB       PHE   6   7.219   6.685   2.547
   62    HD1  PHE   6          2HD       PHE   6   4.632   4.235   3.617
   63    HD2  PHE   6          1HD       PHE   6   6.234   8.146   4.177
   64    HE1  PHE   6          2HE       PHE   6   3.415   4.439   5.740
   65    HE2  PHE   6          1HE       PHE   6   5.003   8.350   6.288
   66    HZ   PHE   6           HZ       PHE   6   3.576   6.499   7.066
   67    QB   PHE   6           QB       PHE   6   6.963   5.849   2.471
   68    QR   PHE   6           QR       PHE   6   4.821   6.293   4.955
   69    H    GLY   7           HN       GLY   7   5.718   8.448  -0.205
   70   1HA   GLY   7          1HA       GLY   7   7.826   9.144  -1.339
   71   2HA   GLY   7          2HA       GLY   7   8.180   7.444  -1.596
   72    QA   GLY   7           QA       GLY   7   8.003   8.294  -1.467
   73    NH1  ARG   8           NH2      ARG   8   7.863  14.695  -6.299
   74    NH2  ARG   8           NH1      ARG   8   5.862  13.920  -5.507
   75    H    ARG   8           HN       ARG   8   8.463   8.636  -3.752
   76    HA   ARG   8           HA       ARG   8   5.936   8.363  -5.325
   77   1HB   ARG   8          2HB       ARG   8   6.889  10.224  -6.779
   78   2HB   ARG   8          3HB       ARG   8   6.422  10.737  -5.158
   79   1HG   ARG   8          2HG       ARG   8   8.775  10.483  -4.393
   80   2HG   ARG   8          3HG       ARG   8   9.249   9.965  -6.008
   81   1HD   ARG   8          2HD       ARG   8   9.744  12.360  -5.659
   82   2HD   ARG   8          3HD       ARG   8   8.521  12.151  -6.917
   83    HE   ARG   8           HE       ARG   8   7.577  12.640  -4.112
   84   1HH1  ARG   8          2HH2      ARG   8   8.855  14.576  -6.335
   85   2HH1  ARG   8          1HH2      ARG   8   7.435  15.471  -6.762
   86   1HH2  ARG   8          2HH1      ARG   8   5.394  13.228  -4.936
   87   2HH2  ARG   8          1HH1      ARG   8   5.338  14.651  -5.941
   88    QB   ARG   8           QB       ARG   8   6.655  10.480  -5.969
   89    QG   ARG   8           QG       ARG   8   9.012  10.224  -5.200
   90    QD   ARG   8           QD       ARG   8   9.133  12.256  -6.288
   91    QH1  ARG   8           QH2      ARG   8   8.145  15.023  -6.549
   92    QH2  ARG   8           QH1      ARG   8   5.366  13.940  -5.439
   93    H    SER   9           HN       SER   9   6.348   7.855  -7.596
   94    HA   SER   9           HA       SER   9   8.785   6.167  -7.933
   95   1HB   SER   9          2HB       SER   9   7.303   5.324  -9.949
   96   2HB   SER   9          3HB       SER   9   6.826   4.843  -8.315
   97    HG   SER   9           HG       SER   9   5.466   6.400 -10.069
   98    QB   SER   9           QB       SER   9   7.064   5.084  -9.132
   99    H    GLY  10           HN       GLY  10   6.655   8.264  -9.740
  100   1HA   GLY  10          1HA       GLY  10   7.904  10.294 -10.817
  101   2HA   GLY  10          2HA       GLY  10   8.884   9.031 -11.584
  102    QA   GLY  10           QA       GLY  10   8.394   9.663 -11.200
  103    H    CYS  11           HN       CYS  11   7.427   7.192 -12.411
  104    HA   CYS  11           HA       CYS  11   5.400   8.421 -14.205
  105   1HB   CYS  11          2HB       CYS  11   6.990   5.863 -14.195
  106   2HB   CYS  11          3HB       CYS  11   5.535   5.951 -15.144
  107    HG   CYS  11           HG       CYS  11   8.196   7.330 -15.822
  108    QB   CYS  11           QB       CYS  11   6.262   5.907 -14.670
  109    HA   PRO  12           HA       PRO  12   1.926   6.468 -12.149
  110   1HB   PRO  12          2HB       PRO  12   1.348   4.891 -14.627
  111   2HB   PRO  12          3HB       PRO  12   0.290   5.979 -13.715
  112   1HG   PRO  12          2HG       PRO  12   1.389   6.713 -16.095
  113   2HG   PRO  12          3HG       PRO  12   1.123   7.892 -14.804
  114   1HD   PRO  12          2HD       PRO  12   3.690   6.612 -15.698
  115   2HD   PRO  12          3HD       PRO  12   3.425   8.228 -15.015
  116    QB   PRO  12           QB       PRO  12   0.819   5.435 -14.171
  117    QG   PRO  12           QG       PRO  12   1.256   7.302 -15.449
  118    QD   PRO  12           QD       PRO  12   3.557   7.420 -15.356
  119    OH   TYR  13           OH       TYR  13   7.153  -2.223 -11.280
  120    H    TYR  13           HN       TYR  13   3.710   5.317 -10.965
  121    HA   TYR  13           HA       TYR  13   3.597   2.373 -11.477
  122   1HB   TYR  13          2HB       TYR  13   5.870   3.755 -11.655
  123   2HB   TYR  13          3HB       TYR  13   5.840   3.607  -9.899
  124    HD1  TYR  13           HD2      TYR  13   5.789   1.692 -13.060
  125    HD2  TYR  13           HD1      TYR  13   6.235   1.459  -8.830
  126    HE1  TYR  13           HE2      TYR  13   6.478  -0.640 -13.263
  127    HE2  TYR  13           HE1      TYR  13   6.914  -0.884  -9.042
  128    HH   TYR  13           HH       TYR  13   7.624  -2.315 -12.114
  129    QB   TYR  13           QB       TYR  13   5.855   3.681 -10.777
  130    QR   TYR  13           QR       TYR  13   6.354   0.407 -11.049
  131    H    CYS  14           HN       CYS  14   4.335   4.655  -8.767
  132    HA   CYS  14           HA       CYS  14   3.536   2.907  -6.670
  133   1HB   CYS  14          2HB       CYS  14   2.936   5.870  -6.695
  134   2HB   CYS  14          3HB       CYS  14   3.240   4.867  -5.305
  135    HG   CYS  14           HG       CYS  14   5.437   5.947  -7.199
  136    QB   CYS  14           QB       CYS  14   3.088   5.368  -6.000
  137    H    VAL  15           HN       VAL  15   1.743   5.078  -8.681
  138    HA   VAL  15           HA       VAL  15  -0.780   5.150  -7.597
  139    HB   VAL  15           HB       VAL  15  -0.154   4.757 -10.550
  140   1HG1  VAL  15          2HG1      VAL  15  -2.571   4.537  -9.968
  141   2HG1  VAL  15          3HG1      VAL  15  -2.506   6.086  -9.132
  142   3HG1  VAL  15          1HG1      VAL  15  -2.269   6.016 -10.876
  143   1HG2  VAL  15          3HG2      VAL  15  -0.315   7.292  -8.874
  144   2HG2  VAL  15          1HG2      VAL  15   1.158   6.608  -9.548
  145   3HG2  VAL  15          2HG2      VAL  15  -0.085   7.237 -10.617
  146    QG1  VAL  15           QG1      VAL  15  -2.449   5.546  -9.992
  147    QG2  VAL  15           QG2      VAL  15   0.253   7.046  -9.680
  148    QQG  VAL  15           QQG      VAL  15  -1.098   6.296  -9.836
  149    NH1  ARG  16           NH1      ARG  16  -3.578   2.521 -12.040
  150    NH2  ARG  16           NH2      ARG  16  -3.951   0.322 -11.574
  151    H    ARG  16           HN       ARG  16   0.459   2.520  -9.693
  152    HA   ARG  16           HA       ARG  16  -1.984   1.038  -9.735
  153   1HB   ARG  16          2HB       ARG  16   0.741  -0.273  -9.779
  154   2HB   ARG  16          3HB       ARG  16  -0.720  -0.782 -10.608
  155   1HG   ARG  16          2HG       ARG  16   1.150   1.483 -11.299
  156   2HG   ARG  16          3HG       ARG  16   0.590   0.180 -12.327
  157   1HD   ARG  16          2HD       ARG  16  -1.127   2.493 -11.336
  158   2HD   ARG  16          3HD       ARG  16  -0.458   2.336 -12.951
  159    HE   ARG  16           HE       ARG  16  -1.915   0.243 -13.158
  160   1HH1  ARG  16          2HH1      ARG  16  -3.016   3.217 -12.479
  161   2HH1  ARG  16          1HH1      ARG  16  -4.433   2.786 -11.566
  162   1HH2  ARG  16          2HH2      ARG  16  -3.618  -0.617 -11.561
  163   2HH2  ARG  16          1HH2      ARG  16  -4.867   0.537 -11.204
  164    QB   ARG  16           QB       ARG  16   0.011  -0.527 -10.193
  165    QG   ARG  16           QG       ARG  16   0.870   0.832 -11.813
  166    QD   ARG  16           QD       ARG  16  -0.793   2.414 -12.143
  167    QH1  ARG  16           QH1      ARG  16  -3.724   3.002 -12.022
  168    QH2  ARG  16           QH2      ARG  16  -4.243  -0.040 -11.382
  169    H    ALA  17           HN       ALA  17   0.730   0.948  -7.415
  170    HA   ALA  17           HA       ALA  17  -0.250  -1.210  -5.827
  171   1HB   ALA  17          3HB       ALA  17   1.966  -0.128  -5.433
  172   2HB   ALA  17          1HB       ALA  17   1.143   1.309  -4.847
  173   3HB   ALA  17          2HB       ALA  17   1.010  -0.202  -3.957
  174    QB   ALA  17           QB       ALA  17   1.373   0.327  -4.746
  175    H    LYS  18           HN       LYS  18  -0.867   2.258  -5.706
  176    HA   LYS  18           HA       LYS  18  -2.768   2.205  -3.574
  177   1HB   LYS  18          2HB       LYS  18  -2.194   4.387  -4.082
  178   2HB   LYS  18          3HB       LYS  18  -2.157   4.096  -5.806
  179   1HG   LYS  18          2HG       LYS  18  -4.867   3.820  -4.634
  180   2HG   LYS  18          3HG       LYS  18  -4.167   5.421  -4.443
  181   1HD   LYS  18          2HD       LYS  18  -3.988   5.793  -6.734
  182   2HD   LYS  18          3HD       LYS  18  -3.922   4.085  -7.121
  183   1HE   LYS  18          2HE       LYS  18  -6.081   5.270  -7.757
  184   2HE   LYS  18          3HE       LYS  18  -6.271   3.816  -6.791
  185   1HZ   LYS  18          1HZ       LYS  18  -6.056   5.862  -4.939
  186   2HZ   LYS  18          2HZ       LYS  18  -7.056   6.466  -6.173
  187   3HZ   LYS  18          3HZ       LYS  18  -7.445   5.023  -5.413
  188    QB   LYS  18           QB       LYS  18  -2.176   4.241  -4.944
  189    QG   LYS  18           QG       LYS  18  -4.517   4.621  -4.539
  190    QD   LYS  18           QD       LYS  18  -3.955   4.939  -6.928
  191    QE   LYS  18           QE       LYS  18  -6.176   4.543  -7.274
  192    QZ   LYS  18           QZ       LYS  18  -6.852   5.784  -5.509
  193    H    ASP  19           HN       ASP  19  -3.351   2.066  -7.112
  194    HA   ASP  19           HA       ASP  19  -6.094   1.668  -7.128
  195   1HB   ASP  19          2HB       ASP  19  -3.939   0.284  -8.757
  196   2HB   ASP  19          3HB       ASP  19  -5.641   0.016  -9.065
  197    QB   ASP  19           QB       ASP  19  -4.790   0.150  -8.911
  198    H    LEU  20           HN       LEU  20  -3.688  -0.913  -6.723
  199    HA   LEU  20           HA       LEU  20  -5.515  -3.040  -6.283
  200   1HB   LEU  20          2HB       LEU  20  -3.159  -3.496  -6.667
  201   2HB   LEU  20          3HB       LEU  20  -2.699  -2.612  -5.222
  202    HG   LEU  20           HG       LEU  20  -3.802  -4.264  -3.794
  203   1HD1  LEU  20          1HD1      LEU  20  -4.477  -5.668  -6.407
  204   2HD1  LEU  20          2HD1      LEU  20  -4.717  -6.347  -4.802
  205   3HD1  LEU  20          3HD1      LEU  20  -5.636  -4.936  -5.299
  206   1HD2  LEU  20          1HD2      LEU  20  -1.985  -5.519  -5.884
  207   2HD2  LEU  20          2HD2      LEU  20  -1.458  -4.637  -4.461
  208   3HD2  LEU  20          3HD2      LEU  20  -2.300  -6.162  -4.274
  209    QB   LEU  20           QB       LEU  20  -2.929  -3.054  -5.944
  210    QD1  LEU  20           QD1      LEU  20  -4.943  -5.650  -5.503
  211    QD2  LEU  20           QD2      LEU  20  -1.914  -5.439  -4.873
  212    QQD  LEU  20           QQD      LEU  20  -3.429  -5.545  -5.188
  213    H    ALA  21           HN       ALA  21  -3.687  -1.237  -3.853
  214    HA   ALA  21           HA       ALA  21  -4.878  -2.297  -1.537
  215   1HB   ALA  21          2HB       ALA  21  -2.941  -0.729  -1.522
  216   2HB   ALA  21          3HB       ALA  21  -4.006   0.579  -2.029
  217   3HB   ALA  21          1HB       ALA  21  -4.213  -0.163  -0.450
  218    QB   ALA  21           QB       ALA  21  -3.720  -0.104  -1.334
  219    H    GLU  22           HN       GLU  22  -5.884   0.375  -3.547
  220    HA   GLU  22           HA       GLU  22  -8.174   1.184  -2.065
  221   1HB   GLU  22          2HB       GLU  22  -7.042   2.468  -3.951
  222   2HB   GLU  22          3HB       GLU  22  -7.744   1.318  -5.067
  223   1HG   GLU  22          2HG       GLU  22  -9.956   2.001  -4.628
  224   2HG   GLU  22          3HG       GLU  22  -9.515   2.799  -3.118
  225    QB   GLU  22           QB       GLU  22  -7.393   1.893  -4.509
  226    QG   GLU  22           QG       GLU  22  -9.735   2.400  -3.873
  227    H    LYS  23           HN       LYS  23  -7.846  -0.882  -4.925
  228    HA   LYS  23           HA       LYS  23 -10.507  -1.634  -5.234
  229   1HB   LYS  23          2HB       LYS  23  -8.244  -2.404  -6.489
  230   2HB   LYS  23          3HB       LYS  23  -8.485  -3.834  -5.501
  231   1HG   LYS  23          2HG       LYS  23 -10.463  -2.645  -7.483
  232   2HG   LYS  23          3HG       LYS  23  -9.580  -4.145  -7.668
  233   1HD   LYS  23          2HD       LYS  23 -11.425  -5.152  -6.808
  234   2HD   LYS  23          3HD       LYS  23 -10.874  -4.567  -5.251
  235   1HE   LYS  23          2HE       LYS  23 -12.268  -2.564  -5.454
  236   2HE   LYS  23          3HE       LYS  23 -12.676  -2.972  -7.111
  237   1HZ   LYS  23          1HZ       LYS  23 -13.370  -5.132  -5.404
  238   2HZ   LYS  23          2HZ       LYS  23 -14.036  -3.671  -4.796
  239   3HZ   LYS  23          3HZ       LYS  23 -14.368  -4.161  -6.386
  240    QB   LYS  23           QB       LYS  23  -8.365  -3.119  -5.995
  241    QG   LYS  23           QG       LYS  23 -10.021  -3.395  -7.575
  242    QD   LYS  23           QD       LYS  23 -11.150  -4.859  -6.030
  243    QE   LYS  23           QE       LYS  23 -12.472  -2.768  -6.283
  244    QZ   LYS  23           QZ       LYS  23 -13.924  -4.321  -5.529
  245    H    LEU  24           HN       LEU  24  -8.053  -3.330  -3.330
  246    HA   LEU  24           HA       LEU  24  -9.756  -5.255  -2.090
  247   1HB   LEU  24          2HB       LEU  24  -7.295  -3.926  -0.889
  248   2HB   LEU  24          3HB       LEU  24  -7.940  -5.495  -0.451
  249    HG   LEU  24           HG       LEU  24  -6.950  -4.826  -3.249
  250   1HD1  LEU  24          3HD1      LEU  24  -5.122  -4.696  -1.581
  251   2HD1  LEU  24          1HD1      LEU  24  -5.548  -6.304  -0.999
  252   3HD1  LEU  24          2HD1      LEU  24  -4.952  -6.086  -2.640
  253   1HD2  LEU  24          3HD2      LEU  24  -7.557  -7.475  -1.882
  254   2HD2  LEU  24          1HD2      LEU  24  -8.541  -6.721  -3.134
  255   3HD2  LEU  24          2HD2      LEU  24  -6.919  -7.288  -3.512
  256    QB   LEU  24           QB       LEU  24  -7.617  -4.711  -0.670
  257    QD1  LEU  24           QD1      LEU  24  -5.207  -5.696  -1.740
  258    QD2  LEU  24           QD2      LEU  24  -7.672  -7.161  -2.843
  259    QQD  LEU  24           QQD      LEU  24  -6.440  -6.428  -2.291
  260    H    SER  25           HN       SER  25  -8.706  -2.073  -1.071
  261    HA   SER  25           HA       SER  25  -9.987  -1.790   1.381
  262   1HB   SER  25          2HB       SER  25  -8.488  -0.052   0.233
  263   2HB   SER  25          3HB       SER  25  -9.901   0.404  -0.729
  264    HG   SER  25           HG       SER  25 -10.421   0.122   1.954
  265    QB   SER  25           QB       SER  25  -9.195   0.176  -0.248
  266    H    ASN  26           HN       ASN  26 -11.305  -1.767  -1.810
  267    HA   ASN  26           HA       ASN  26 -14.005  -0.967  -0.864
  268   1HB   ASN  26          2HB       ASN  26 -13.358   0.194  -2.804
  269   2HB   ASN  26          3HB       ASN  26 -12.605  -1.210  -3.523
  270   1HD2  ASN  26          2HD2      ASN  26 -16.649  -0.753  -3.911
  271   2HD2  ASN  26          1HD2      ASN  26 -15.846   0.070  -2.666
  272    QB   ASN  26           QB       ASN  26 -12.981  -0.508  -3.164
  273    QD2  ASN  26           QD2      ASN  26 -16.248  -0.341  -3.289
  274    H    GLU  27           HN       GLU  27 -12.686  -3.585  -0.303
  275    HA   GLU  27           HA       GLU  27 -14.970  -5.294  -1.189
  276   1HB   GLU  27          2HB       GLU  27 -12.041  -6.138  -1.288
  277   2HB   GLU  27          3HB       GLU  27 -13.422  -7.155  -1.685
  278   1HG   GLU  27          2HG       GLU  27 -14.066  -5.573  -3.481
  279   2HG   GLU  27          3HG       GLU  27 -12.690  -4.562  -3.090
  280    QB   GLU  27           QB       GLU  27 -12.732  -6.646  -1.487
  281    QG   GLU  27           QG       GLU  27 -13.378  -5.068  -3.285
  282    NH1  ARG  28           NH2      ARG  28 -10.293 -10.783   3.189
  283    NH2  ARG  28           NH1      ARG  28 -11.374  -9.938   5.011
  284    H    ARG  28           HN       ARG  28 -12.313  -4.785   1.056
  285    HA   ARG  28           HA       ARG  28 -13.707  -6.584   3.010
  286   1HB   ARG  28          2HB       ARG  28 -10.842  -5.619   3.104
  287   2HB   ARG  28          3HB       ARG  28 -11.578  -6.914   4.036
  288   1HG   ARG  28          2HG       ARG  28 -12.030  -8.122   1.854
  289   2HG   ARG  28          3HG       ARG  28 -11.080  -6.886   1.041
  290   1HD   ARG  28          2HD       ARG  28  -9.779  -8.966   1.695
  291   2HD   ARG  28          3HD       ARG  28  -9.100  -7.454   2.297
  292    HE   ARG  28           HE       ARG  28  -9.841  -8.016   4.538
  293   1HH1  ARG  28          2HH2      ARG  28  -9.684 -10.651   2.407
  294   2HH1  ARG  28          1HH2      ARG  28 -10.693 -11.701   3.320
  295   1HH2  ARG  28          2HH1      ARG  28 -11.560  -9.144   5.600
  296   2HH2  ARG  28          1HH1      ARG  28 -11.802 -10.816   5.207
  297    QB   ARG  28           QB       ARG  28 -11.210  -6.267   3.570
  298    QG   ARG  28           QG       ARG  28 -11.555  -7.504   1.447
  299    QD   ARG  28           QD       ARG  28  -9.440  -8.210   1.996
  300    QH1  ARG  28           QH2      ARG  28 -10.188 -11.176   2.863
  301    QH2  ARG  28           QH1      ARG  28 -11.681  -9.980   5.403
  302    H    ASP  29           HN       ASP  29 -14.561  -5.706   4.812
  303    HA   ASP  29           HA       ASP  29 -14.314  -2.817   5.261
  304   1HB   ASP  29          2HB       ASP  29 -15.691  -4.918   6.980
  305   2HB   ASP  29          3HB       ASP  29 -15.993  -3.180   6.978
  306    QB   ASP  29           QB       ASP  29 -15.842  -4.049   6.979
  307    H    ASP  30           HN       ASP  30 -11.969  -4.444   5.476
  308    HA   ASP  30           HA       ASP  30 -11.061  -3.672   8.195
  309   1HB   ASP  30          2HB       ASP  30  -9.631  -5.755   8.181
  310   2HB   ASP  30          3HB       ASP  30 -11.354  -6.095   8.259
  311    QB   ASP  30           QB       ASP  30 -10.493  -5.925   8.220
  312    H    PHE  31           HN       PHE  31 -10.793  -3.277   4.950
  313    HA   PHE  31           HA       PHE  31  -7.856  -2.727   5.089
  314   1HB   PHE  31          2HB       PHE  31  -8.778  -4.650   3.620
  315   2HB   PHE  31          3HB       PHE  31  -9.391  -3.387   2.569
  316    HD1  PHE  31          1HD       PHE  31  -7.676  -1.611   1.744
  317    HD2  PHE  31          2HD       PHE  31  -6.534  -5.364   3.429
  318    HE1  PHE  31          1HE       PHE  31  -5.473  -1.412   0.707
  319    HE2  PHE  31          2HE       PHE  31  -4.313  -5.142   2.401
  320    HZ   PHE  31           HZ       PHE  31  -3.779  -3.167   1.037
  321    QB   PHE  31           QB       PHE  31  -9.084  -4.019   3.095
  322    QR   PHE  31           QR       PHE  31  -5.999  -3.382   2.070
  323    H    GLN  32           HN       GLN  32  -7.291  -0.724   4.877
  324    HA   GLN  32           HA       GLN  32  -8.758   1.176   3.119
  325   1HB   GLN  32          2HB       GLN  32  -8.178   1.591   6.077
  326   2HB   GLN  32          3HB       GLN  32  -8.475   2.934   4.982
  327   1HG   GLN  32          2HG       GLN  32 -10.430   0.624   5.292
  328   2HG   GLN  32          3HG       GLN  32 -10.531   2.098   6.255
  329   1HE2  GLN  32          2HE2      GLN  32 -11.982   2.131   2.526
  330   2HE2  GLN  32          1HE2      GLN  32 -11.582   0.706   3.365
  331    QB   GLN  32           QB       GLN  32  -8.326   2.263   5.529
  332    QG   GLN  32           QG       GLN  32 -10.481   1.361   5.773
  333    QE2  GLN  32           QE2      GLN  32 -11.782   1.419   2.946
  334    OH   TYR  33           OH       TYR  33  -6.661   5.811  -3.001
  335    H    TYR  33           HN       TYR  33  -7.262   2.998   2.470
  336    HA   TYR  33           HA       TYR  33  -4.440   2.450   3.266
  337   1HB   TYR  33          2HB       TYR  33  -3.627   2.364   1.056
  338   2HB   TYR  33          3HB       TYR  33  -5.101   1.410   0.988
  339    HD1  TYR  33           HD1      TYR  33  -7.133   2.334  -0.133
  340    HD2  TYR  33           HD2      TYR  33  -3.484   4.529  -0.047
  341    HE1  TYR  33           HE1      TYR  33  -7.985   3.826  -1.887
  342    HE2  TYR  33           HE2      TYR  33  -4.329   6.003  -1.810
  343    HH   TYR  33           HH       TYR  33  -7.607   5.611  -3.119
  344    QB   TYR  33           QB       TYR  33  -4.364   1.887   1.022
  345    QR   TYR  33           QR       TYR  33  -5.733   4.173  -0.969
  346    H    GLN  34           HN       GLN  34  -2.939   4.126   2.727
  347    HA   GLN  34           HA       GLN  34  -4.039   6.867   2.331
  348   1HB   GLN  34          2HB       GLN  34  -3.333   5.883   4.869
  349   2HB   GLN  34          3HB       GLN  34  -1.918   6.794   4.374
  350   1HG   GLN  34          2HG       GLN  34  -4.763   7.866   4.447
  351   2HG   GLN  34          3HG       GLN  34  -3.506   8.235   5.611
  352   1HE2  GLN  34          2HE2      GLN  34  -2.032  10.699   3.547
  353   2HE2  GLN  34          1HE2      GLN  34  -2.024   9.907   5.051
  354    QB   GLN  34           QB       GLN  34  -2.625   6.338   4.621
  355    QG   GLN  34           QG       GLN  34  -4.135   8.051   5.029
  356    QE2  GLN  34           QE2      GLN  34  -2.028  10.303   4.299
  357    OH   TYR  35           OH       TYR  35   3.317   7.621  -4.576
  358    H    TYR  35           HN       TYR  35  -2.395   8.399   1.590
  359    HA   TYR  35           HA       TYR  35   0.158   7.099   0.686
  360   1HB   TYR  35          2HB       TYR  35  -1.645   7.484  -1.112
  361   2HB   TYR  35          3HB       TYR  35  -1.371   9.203  -0.878
  362    HD1  TYR  35           HD1      TYR  35   1.845   8.061  -0.355
  363    HD2  TYR  35           HD2      TYR  35  -1.008   8.268  -3.505
  364    HE1  TYR  35           HE1      TYR  35   3.636   7.948  -1.968
  365    HE2  TYR  35           HE2      TYR  35   0.802   8.035  -5.122
  366    HH   TYR  35           HH       TYR  35   4.160   7.634  -4.100
  367    QB   TYR  35           QB       TYR  35  -1.508   8.344  -0.995
  368    QR   TYR  35           QR       TYR  35   1.319   8.078  -2.738
  369    H    VAL  36           HN       VAL  36   1.906   8.119   1.451
  370    HA   VAL  36           HA       VAL  36   1.726  11.060   2.044
  371    HB   VAL  36           HB       VAL  36   3.593   9.162   3.498
  372   1HG1  VAL  36          2HG1      VAL  36   2.234  11.772   4.269
  373   2HG1  VAL  36          3HG1      VAL  36   3.390  10.889   5.262
  374   3HG1  VAL  36          1HG1      VAL  36   3.907  11.616   3.746
  375   1HG2  VAL  36          2HG2      VAL  36   0.721   9.779   4.282
  376   2HG2  VAL  36          3HG2      VAL  36   1.328   8.200   3.784
  377   3HG2  VAL  36          1HG2      VAL  36   1.887   8.923   5.288
  378    QG1  VAL  36           QG1      VAL  36   3.177  11.426   4.426
  379    QG2  VAL  36           QG2      VAL  36   1.312   8.968   4.451
  380    QQG  VAL  36           QQG      VAL  36   2.245  10.197   4.438
  381    H    ASP  37           HN       ASP  37   3.739  12.268   1.521
  382    HA   ASP  37           HA       ASP  37   5.563  10.626  -0.221
  383   1HB   ASP  37          2HB       ASP  37   4.051  12.012  -1.637
  384   2HB   ASP  37          3HB       ASP  37   4.692  13.451  -0.887
  385    QB   ASP  37           QB       ASP  37   4.371  12.732  -1.262
  386    H    ILE  38           HN       ILE  38   7.510  10.674   0.302
  387    HA   ILE  38           HA       ILE  38   8.669  11.749   2.537
  388    HB   ILE  38           HB       ILE  38  10.859  11.400   1.311
  389   1HG1  ILE  38          2HG1      ILE  38   8.925  10.917  -0.992
  390   2HG1  ILE  38          3HG1      ILE  38  10.192  12.121  -0.919
  391   1HG2  ILE  38          1HG2      ILE  38   9.610   9.583   2.486
  392   2HG2  ILE  38          2HG2      ILE  38   8.748   9.229   0.992
  393   3HG2  ILE  38          3HG2      ILE  38  10.487   8.971   1.085
  394   1HD1  ILE  38          3HD1      ILE  38  11.894  10.302  -0.828
  395   2HD1  ILE  38          1HD1      ILE  38  10.604   9.116  -0.986
  396   3HD1  ILE  38          2HD1      ILE  38  10.926  10.241  -2.300
  397    QG1  ILE  38           QG1      ILE  38   9.558  11.519  -0.956
  398    QG2  ILE  38           QG2      ILE  38   9.615   9.261   1.521
  399    QD1  ILE  38           QD1      ILE  38  11.141   9.886  -1.371
  400    NH1  ARG  39           NH2      ARG  39  14.059  14.466  -1.633
  401    NH2  ARG  39           NH1      ARG  39  14.022  13.809   0.562
  402    H    ARG  39           HN       ARG  39   8.422  13.423  -0.588
  403    HA   ARG  39           HA       ARG  39  10.004  15.647   0.593
  404   1HB   ARG  39          2HB       ARG  39  10.250  14.510  -1.861
  405   2HB   ARG  39          3HB       ARG  39   9.047  15.731  -2.236
  406   1HG   ARG  39          2HG       ARG  39  11.419  16.519  -2.589
  407   2HG   ARG  39          3HG       ARG  39  10.505  17.513  -1.465
  408   1HD   ARG  39          2HD       ARG  39  12.932  16.780  -0.800
  409   2HD   ARG  39          3HD       ARG  39  11.672  16.697   0.425
  410    HE   ARG  39           HE       ARG  39  11.490  14.199  -0.237
  411   1HH1  ARG  39          2HH2      ARG  39  13.571  14.888  -2.401
  412   2HH1  ARG  39          1HH2      ARG  39  14.999  14.147  -1.760
  413   1HH2  ARG  39          2HH1      ARG  39  13.513  13.741   1.428
  414   2HH2  ARG  39          1HH1      ARG  39  14.959  13.466   0.513
  415    QB   ARG  39           QB       ARG  39   9.648  15.120  -2.049
  416    QG   ARG  39           QG       ARG  39  10.962  17.016  -2.027
  417    QD   ARG  39           QD       ARG  39  12.302  16.739  -0.188
  418    QH1  ARG  39           QH2      ARG  39  14.285  14.518  -2.081
  419    QH2  ARG  39           QH1      ARG  39  14.236  13.603   0.971
  420    H    ALA  40           HN       ALA  40   7.130  15.002   1.136
  421    HA   ALA  40           HA       ALA  40   6.016  17.707   0.468
  422   1HB   ALA  40          2HB       ALA  40   4.566  15.108   1.130
  423   2HB   ALA  40          3HB       ALA  40   3.785  16.650   0.790
  424   3HB   ALA  40          1HB       ALA  40   4.693  15.825  -0.474
  425    QB   ALA  40           QB       ALA  40   4.348  15.861   0.482
  426    H    GLU  41           HN       GLU  41   6.205  15.156   2.844
  427    HA   GLU  41           HA       GLU  41   5.379  16.982   5.018
  428   1HB   GLU  41          2HB       GLU  41   5.900  14.017   4.821
  429   2HB   GLU  41          3HB       GLU  41   5.759  14.797   6.393
  430   1HG   GLU  41          2HG       GLU  41   3.567  13.879   5.587
  431   2HG   GLU  41          3HG       GLU  41   3.510  15.620   5.824
  432    QB   GLU  41           QB       GLU  41   5.829  14.407   5.607
  433    QG   GLU  41           QG       GLU  41   3.539  14.750   5.706
  434    H    GLY  42           HN       GLY  42   8.312  15.475   3.818
  435   1HA   GLY  42          1HA       GLY  42  10.466  16.556   4.312
  436   2HA   GLY  42          2HA       GLY  42   9.823  17.037   5.877
  437    QA   GLY  42           QA       GLY  42  10.144  16.796   5.095
  438    H    ILE  43           HN       ILE  43  10.297  14.011   4.049
  439    HA   ILE  43           HA       ILE  43  11.282  12.767   6.599
  440    HB   ILE  43           HB       ILE  43  10.304  11.213   4.190
  441   1HG1  ILE  43          2HG1      ILE  43   8.590  12.303   6.460
  442   2HG1  ILE  43          3HG1      ILE  43   8.500  12.807   4.776
  443   1HG2  ILE  43          1HG2      ILE  43  10.371  10.623   7.182
  444   2HG2  ILE  43          2HG2      ILE  43   9.825   9.507   5.937
  445   3HG2  ILE  43          3HG2      ILE  43  11.508   9.994   5.990
  446   1HD1  ILE  43          1HD1      ILE  43   7.882  10.475   4.128
  447   2HD1  ILE  43          2HD1      ILE  43   7.903  10.021   5.830
  448   3HD1  ILE  43          3HD1      ILE  43   6.723  11.186   5.246
  449    QG1  ILE  43           QG1      ILE  43   8.545  12.555   5.618
  450    QG2  ILE  43           QG2      ILE  43  10.568  10.041   6.370
  451    QD1  ILE  43           QD1      ILE  43   7.502  10.561   5.068
  452    H    THR  44           HN       THR  44  13.069  11.273   6.381
  453    HA   THR  44           HA       THR  44  14.883  12.070   4.159
  454    HB   THR  44           HB       THR  44  16.647  11.007   5.755
  455    HG1  THR  44          1HG       THR  44  15.099  11.243   7.914
  456   1HG2  THR  44          1HG2      THR  44  14.925  13.221   6.976
  457   2HG2  THR  44          2HG2      THR  44  16.602  12.877   7.383
  458   3HG2  THR  44          3HG2      THR  44  16.194  13.513   5.795
  459    QG2  THR  44           QG2      THR  44  15.907  13.204   6.718
  460    H    LYS  45           HN       LYS  45  16.566   9.959   4.069
  461    HA   LYS  45           HA       LYS  45  14.818   7.811   2.942
  462   1HB   LYS  45          2HB       LYS  45  17.527   7.184   2.409
  463   2HB   LYS  45          3HB       LYS  45  16.363   7.847   1.271
  464   1HG   LYS  45          2HG       LYS  45  16.967  10.156   2.056
  465   2HG   LYS  45          3HG       LYS  45  18.234   9.457   3.050
  466   1HD   LYS  45          2HD       LYS  45  17.996   9.284   0.023
  467   2HD   LYS  45          3HD       LYS  45  19.156  10.257   0.912
  468   1HE   LYS  45          2HE       LYS  45  19.012   7.229   0.785
  469   2HE   LYS  45          3HE       LYS  45  20.287   8.256   0.149
  470   1HZ   LYS  45          2HZ       LYS  45  19.957   8.780   2.917
  471   2HZ   LYS  45          3HZ       LYS  45  20.107   7.116   2.683
  472   3HZ   LYS  45          1HZ       LYS  45  21.314   8.158   2.105
  473    QB   LYS  45           QB       LYS  45  16.945   7.516   1.840
  474    QG   LYS  45           QG       LYS  45  17.601   9.806   2.553
  475    QD   LYS  45           QD       LYS  45  18.576   9.771   0.467
  476    QE   LYS  45           QE       LYS  45  19.649   7.742   0.467
  477    QZ   LYS  45           QZ       LYS  45  20.459   8.018   2.568
  478    H    GLU  46           HN       GLU  46  17.718   8.220   4.995
  479    HA   GLU  46           HA       GLU  46  17.939   5.630   5.978
  480   1HB   GLU  46          2HB       GLU  46  18.370   8.326   7.273
  481   2HB   GLU  46          3HB       GLU  46  18.603   6.856   8.207
  482   1HG   GLU  46          2HG       GLU  46  20.696   7.763   7.037
  483   2HG   GLU  46          3HG       GLU  46  20.332   6.072   6.734
  484    QB   GLU  46           QB       GLU  46  18.486   7.591   7.740
  485    QG   GLU  46           QG       GLU  46  20.514   6.917   6.886
  486    H    ASP  47           HN       ASP  47  15.817   8.186   7.350
  487    HA   ASP  47           HA       ASP  47  14.637   6.718   9.435
  488   1HB   ASP  47          2HB       ASP  47  14.100   9.029   9.261
  489   2HB   ASP  47          3HB       ASP  47  13.544   8.855   7.605
  490    QB   ASP  47           QB       ASP  47  13.822   8.942   8.433
  491    H    LEU  48           HN       LEU  48  13.627   6.816   6.058
  492    HA   LEU  48           HA       LEU  48  11.432   4.928   6.303
  493   1HB   LEU  48          2HB       LEU  48  12.793   6.486   4.224
  494   2HB   LEU  48          3HB       LEU  48  12.480   4.874   3.639
  495    HG   LEU  48           HG       LEU  48  10.393   6.699   4.908
  496   1HD1  LEU  48          2HD1      LEU  48  11.200   7.579   2.739
  497   2HD1  LEU  48          3HD1      LEU  48  10.893   6.017   1.987
  498   3HD1  LEU  48          1HD1      LEU  48   9.549   6.982   2.586
  499   1HD2  LEU  48          3HD2      LEU  48  10.122   4.074   3.380
  500   2HD2  LEU  48          1HD2      LEU  48   9.861   4.278   5.107
  501   3HD2  LEU  48          2HD2      LEU  48   8.779   5.054   3.957
  502    QB   LEU  48           QB       LEU  48  12.637   5.680   3.932
  503    QD1  LEU  48           QD1      LEU  48  10.547   6.859   2.438
  504    QD2  LEU  48           QD2      LEU  48   9.587   4.469   4.148
  505    QQD  LEU  48           QQD      LEU  48  10.067   5.664   3.293
  506    H    GLN  49           HN       GLN  49  14.815   4.655   5.314
  507    HA   GLN  49           HA       GLN  49  14.773   1.892   4.664
  508   1HB   GLN  49          2HB       GLN  49  16.702   3.681   4.438
  509   2HB   GLN  49          3HB       GLN  49  17.135   3.159   6.064
  510   1HG   GLN  49          2HG       GLN  49  18.395   1.831   4.443
  511   2HG   GLN  49          3HG       GLN  49  17.217   0.789   5.236
  512   1HE2  GLN  49          2HE2      GLN  49  16.911   1.490   1.251
  513   2HE2  GLN  49          1HE2      GLN  49  18.065   2.308   2.193
  514    QB   GLN  49           QB       GLN  49  16.918   3.420   5.251
  515    QG   GLN  49           QG       GLN  49  17.806   1.310   4.840
  516    QE2  GLN  49           QE2      GLN  49  17.488   1.899   1.722
  517    H    GLN  50           HN       GLN  50  14.963   3.637   7.625
  518    HA   GLN  50           HA       GLN  50  15.485   1.440   9.414
  519   1HB   GLN  50          2HB       GLN  50  15.055   4.262   9.550
  520   2HB   GLN  50          3HB       GLN  50  13.950   3.517  10.680
  521   1HG   GLN  50          2HG       GLN  50  15.972   3.919  11.906
  522   2HG   GLN  50          3HG       GLN  50  15.924   2.191  11.597
  523   1HE2  GLN  50          2HE2      GLN  50  18.369   3.662   8.774
  524   2HE2  GLN  50          1HE2      GLN  50  16.689   3.877   8.693
  525    QB   GLN  50           QB       GLN  50  14.502   3.889  10.115
  526    QG   GLN  50           QG       GLN  50  15.948   3.055  11.752
  527    QE2  GLN  50           QE2      GLN  50  17.529   3.769   8.733
  528    H    LYS  51           HN       LYS  51  12.956   1.997   7.510
  529    HA   LYS  51           HA       LYS  51  10.947   0.738   9.318
  530   1HB   LYS  51          2HB       LYS  51  10.679   2.604   6.940
  531   2HB   LYS  51          3HB       LYS  51   9.313   1.774   7.617
  532   1HG   LYS  51          2HG       LYS  51   9.743   2.804   9.815
  533   2HG   LYS  51          3HG       LYS  51  11.180   3.580   9.167
  534   1HD   LYS  51          2HD       LYS  51   9.769   4.825   7.536
  535   2HD   LYS  51          3HD       LYS  51   8.338   4.032   8.177
  536   1HE   LYS  51          2HE       LYS  51   8.674   6.319   9.117
  537   2HE   LYS  51          3HE       LYS  51   8.660   5.066  10.352
  538   1HZ   LYS  51          2HZ       LYS  51  11.311   5.423   9.470
  539   2HZ   LYS  51          3HZ       LYS  51  10.655   6.955   9.789
  540   3HZ   LYS  51          1HZ       LYS  51  10.644   5.772  11.006
  541    QB   LYS  51           QB       LYS  51   9.996   2.189   7.279
  542    QG   LYS  51           QG       LYS  51  10.462   3.192   9.491
  543    QD   LYS  51           QD       LYS  51   9.054   4.429   7.856
  544    QE   LYS  51           QE       LYS  51   8.667   5.692   9.734
  545    QZ   LYS  51           QZ       LYS  51  10.870   6.050  10.088
  546    H    ALA  52           HN       ALA  52  12.193   0.823   6.032
  547    HA   ALA  52           HA       ALA  52  10.775  -1.591   5.196
  548   1HB   ALA  52          3HB       ALA  52  11.383   0.257   3.630
  549   2HB   ALA  52          1HB       ALA  52  13.082  -0.111   3.875
  550   3HB   ALA  52          2HB       ALA  52  12.024  -1.285   3.096
  551    QB   ALA  52           QB       ALA  52  12.163  -0.380   3.534
  552    H    GLY  53           HN       GLY  53  14.191  -0.808   5.709
  553   1HA   GLY  53          1HA       GLY  53  15.814  -2.199   6.804
  554   2HA   GLY  53          2HA       GLY  53  14.735  -3.581   6.582
  555    QA   GLY  53           QA       GLY  53  15.274  -2.890   6.693
  556    H    LYS  54           HN       LYS  54  14.086  -3.549   4.153
  557    HA   LYS  54           HA       LYS  54  14.893  -4.760   2.246
  558   1HB   LYS  54          2HB       LYS  54  15.526  -1.839   2.175
  559   2HB   LYS  54          3HB       LYS  54  16.028  -2.810   0.808
  560   1HG   LYS  54          2HG       LYS  54  13.628  -3.788   0.845
  561   2HG   LYS  54          3HG       LYS  54  13.242  -2.451   1.911
  562   1HD   LYS  54          2HD       LYS  54  14.536  -2.075  -0.789
  563   2HD   LYS  54          3HD       LYS  54  12.800  -2.062  -0.567
  564   1HE   LYS  54          2HE       LYS  54  13.044  -0.196   1.073
  565   2HE   LYS  54          3HE       LYS  54  14.782  -0.210   0.807
  566   1HZ   LYS  54          3HZ       LYS  54  13.561  -0.108  -1.696
  567   2HZ   LYS  54          1HZ       LYS  54  12.817   1.096  -0.728
  568   3HZ   LYS  54          2HZ       LYS  54  14.515   1.067  -0.957
  569    QB   LYS  54           QB       LYS  54  15.777  -2.325   1.491
  570    QG   LYS  54           QG       LYS  54  13.435  -3.119   1.378
  571    QD   LYS  54           QD       LYS  54  13.668  -2.068  -0.678
  572    QE   LYS  54           QE       LYS  54  13.913  -0.203   0.940
  573    QZ   LYS  54           QZ       LYS  54  13.631   0.685  -1.127
  574    HA   PRO  55           HA       PRO  55  19.502  -3.851   2.453
  575   1HB   PRO  55          2HB       PRO  55  20.417  -3.553  -0.121
  576   2HB   PRO  55          3HB       PRO  55  20.287  -5.119   0.684
  577   1HG   PRO  55          2HG       PRO  55  18.522  -3.926  -1.423
  578   2HG   PRO  55          3HG       PRO  55  18.898  -5.622  -1.112
  579   1HD   PRO  55          2HD       PRO  55  16.534  -4.268  -0.313
  580   2HD   PRO  55          3HD       PRO  55  17.061  -5.858   0.261
  581    QB   PRO  55           QB       PRO  55  20.352  -4.336   0.282
  582    QG   PRO  55           QG       PRO  55  18.710  -4.774  -1.267
  583    QD   PRO  55           QD       PRO  55  16.798  -5.063  -0.026
  584    H    VAL  56           HN       VAL  56  20.882  -1.998   1.040
  585    HA   VAL  56           HA       VAL  56  19.269   0.436   1.424
  586    HB   VAL  56           HB       VAL  56  21.638   1.499   1.285
  587   1HG1  VAL  56          1HG1      VAL  56  20.875  -0.363   3.570
  588   2HG1  VAL  56          2HG1      VAL  56  22.024   0.965   3.687
  589   3HG1  VAL  56          3HG1      VAL  56  20.326   1.299   3.380
  590   1HG2  VAL  56          3HG2      VAL  56  22.737  -0.526   0.361
  591   2HG2  VAL  56          1HG2      VAL  56  23.462  -0.027   1.883
  592   3HG2  VAL  56          2HG2      VAL  56  22.358  -1.390   1.848
  593    QG1  VAL  56           QG1      VAL  56  21.075   0.634   3.546
  594    QG2  VAL  56           QG2      VAL  56  22.852  -0.648   1.364
  595    QQG  VAL  56           QQG      VAL  56  21.964  -0.007   2.455
  596    H    GLU  57           HN       GLU  57  18.166   0.142  -0.619
  597    HA   GLU  57           HA       GLU  57  19.896   0.801  -2.962
  598   1HB   GLU  57          2HB       GLU  57  17.672  -0.160  -4.167
  599   2HB   GLU  57          3HB       GLU  57  19.035  -1.159  -3.709
  600   1HG   GLU  57          2HG       GLU  57  16.958  -2.207  -2.944
  601   2HG   GLU  57          3HG       GLU  57  17.895  -1.698  -1.550
  602    QB   GLU  57           QB       GLU  57  18.354  -0.659  -3.938
  603    QG   GLU  57           QG       GLU  57  17.427  -1.952  -2.247
  604    H    THR  58           HN       THR  58  16.354   1.064  -3.160
  605    HA   THR  58           HA       THR  58  16.652   4.021  -3.122
  606    HB   THR  58           HB       THR  58  15.269   2.772  -5.528
  607    HG1  THR  58          1HG       THR  58  18.010   2.981  -4.831
  608   1HG2  THR  58          3HG2      THR  58  15.377   5.343  -5.213
  609   2HG2  THR  58          1HG2      THR  58  17.124   5.195  -5.223
  610   3HG2  THR  58          2HG2      THR  58  16.198   4.767  -6.654
  611    QG2  THR  58           QG2      THR  58  16.233   5.102  -5.696
  612    H    VAL  59           HN       VAL  59  14.190   4.490  -4.454
  613    HA   VAL  59           HA       VAL  59  12.187   3.783  -2.354
  614    HB   VAL  59           HB       VAL  59  11.217   6.092  -3.494
  615   1HG1  VAL  59          3HG1      VAL  59  13.321   5.981  -1.306
  616   2HG1  VAL  59          1HG1      VAL  59  12.188   7.303  -1.567
  617   3HG1  VAL  59          2HG1      VAL  59  11.594   5.723  -1.066
  618   1HG2  VAL  59          3HG2      VAL  59  13.178   6.329  -4.996
  619   2HG2  VAL  59          1HG2      VAL  59  13.060   7.668  -3.863
  620   3HG2  VAL  59          2HG2      VAL  59  14.235   6.391  -3.585
  621    QG1  VAL  59           QG1      VAL  59  12.368   6.336  -1.313
  622    QG2  VAL  59           QG2      VAL  59  13.491   6.796  -4.148
  623    QQG  VAL  59           QQG      VAL  59  12.929   6.566  -2.731
  624    HA   PRO  60           HA       PRO  60   9.875   5.122  -2.550
  625   1HB   PRO  60          2HB       PRO  60   7.247   4.467  -3.100
  626   2HB   PRO  60          3HB       PRO  60   8.044   5.927  -3.701
  627   1HG   PRO  60          2HG       PRO  60   7.507   3.330  -5.141
  628   2HG   PRO  60          3HG       PRO  60   7.446   4.982  -5.770
  629   1HD   PRO  60          2HD       PRO  60   9.570   3.290  -6.225
  630   2HD   PRO  60          3HD       PRO  60   9.741   5.057  -6.169
  631    QB   PRO  60           QB       PRO  60   7.646   5.197  -3.401
  632    QG   PRO  60           QG       PRO  60   7.477   4.156  -5.455
  633    QD   PRO  60           QD       PRO  60   9.655   4.173  -6.197
  634    H    GLN  61           HN       GLN  61   7.998   4.097  -1.031
  635    HA   GLN  61           HA       GLN  61   8.551   1.160  -0.813
  636   1HB   GLN  61          2HB       GLN  61   9.842   2.926   0.792
  637   2HB   GLN  61          3HB       GLN  61   8.348   2.771   1.704
  638   1HG   GLN  61          2HG       GLN  61   9.922   1.094   2.508
  639   2HG   GLN  61          3HG       GLN  61   8.658   0.248   1.618
  640   1HE2  GLN  61          2HE2      GLN  61  11.273  -1.182  -0.298
  641   2HE2  GLN  61          1HE2      GLN  61  10.116  -1.493   0.899
  642    QB   GLN  61           QB       GLN  61   9.095   2.848   1.248
  643    QG   GLN  61           QG       GLN  61   9.290   0.671   2.063
  644    QE2  GLN  61           QE2      GLN  61  10.694  -1.337   0.301
  645    H    ILE  62           HN       ILE  62   6.964  -0.057   0.234
  646    HA   ILE  62           HA       ILE  62   4.393   1.352   0.820
  647    HB   ILE  62           HB       ILE  62   4.655  -1.459  -0.309
  648   1HG1  ILE  62          2HG1      ILE  62   3.979   1.169  -1.677
  649   2HG1  ILE  62          3HG1      ILE  62   5.324   0.094  -2.042
  650   1HG2  ILE  62          2HG2      ILE  62   2.646  -1.038   1.109
  651   2HG2  ILE  62          3HG2      ILE  62   2.234   0.349   0.108
  652   3HG2  ILE  62          1HG2      ILE  62   2.191  -1.280  -0.566
  653   1HD1  ILE  62          3HD1      ILE  62   3.700  -1.691  -2.661
  654   2HD1  ILE  62          1HD1      ILE  62   2.381  -0.556  -2.382
  655   3HD1  ILE  62          2HD1      ILE  62   3.543  -0.252  -3.667
  656    QG1  ILE  62           QG1      ILE  62   4.651   0.631  -1.859
  657    QG2  ILE  62           QG2      ILE  62   2.357  -0.657   0.217
  658    QD1  ILE  62           QD1      ILE  62   3.208  -0.833  -2.903
  659    H    PHE  63           HN       PHE  63   3.328   0.663   2.582
  660    HA   PHE  63           HA       PHE  63   4.537  -1.511   4.247
  661   1HB   PHE  63          2HB       PHE  63   3.963   1.341   5.121
  662   2HB   PHE  63          3HB       PHE  63   4.204   0.022   6.264
  663    HD1  PHE  63          1HD       PHE  63   6.405  -1.172   6.330
  664    HD2  PHE  63          2HD       PHE  63   5.853   2.299   3.926
  665    HE1  PHE  63          1HE       PHE  63   8.836  -0.955   6.089
  666    HE2  PHE  63          2HE       PHE  63   8.280   2.548   3.741
  667    HZ   PHE  63           HZ       PHE  63   9.779   0.920   4.804
  668    QB   PHE  63           QB       PHE  63   4.083   0.682   5.692
  669    QR   PHE  63           QR       PHE  63   7.344   0.680   5.021
  670    H    VAL  64           HN       VAL  64   3.064  -2.357   5.863
  671    HA   VAL  64           HA       VAL  64   0.198  -1.576   5.501
  672    HB   VAL  64           HB       VAL  64   1.390  -4.354   5.149
  673   1HG1  VAL  64          3HG1      VAL  64  -1.540  -3.601   5.473
  674   2HG1  VAL  64          1HG1      VAL  64  -0.947  -5.187   5.000
  675   3HG1  VAL  64          2HG1      VAL  64  -0.594  -4.568   6.607
  676   1HG2  VAL  64          1HG2      VAL  64   1.269  -2.899   3.143
  677   2HG2  VAL  64          2HG2      VAL  64   0.158  -4.255   3.010
  678   3HG2  VAL  64          3HG2      VAL  64  -0.450  -2.653   3.425
  679    QG1  VAL  64           QG1      VAL  64  -1.027  -4.452   5.693
  680    QG2  VAL  64           QG2      VAL  64   0.326  -3.269   3.193
  681    QQG  VAL  64           QQG      VAL  64  -0.351  -3.860   4.443
  682    H    ASP  65           HN       ASP  65  -0.497  -1.078   7.533
  683    HA   ASP  65           HA       ASP  65  -0.691  -1.118   9.882
  684   1HB   ASP  65          2HB       ASP  65  -0.234  -4.091   9.389
  685   2HB   ASP  65          3HB       ASP  65  -0.944  -3.399  10.846
  686    QB   ASP  65           QB       ASP  65  -0.589  -3.745  10.117
  687    H    GLN  66           HN       GLN  66   1.299  -3.829  10.283
  688    HA   GLN  66           HA       GLN  66   3.643  -2.123  10.929
  689   1HB   GLN  66          2HB       GLN  66   2.420  -4.353  12.571
  690   2HB   GLN  66          3HB       GLN  66   4.123  -3.943  12.747
  691   1HG   GLN  66          2HG       GLN  66   1.879  -1.913  13.016
  692   2HG   GLN  66          3HG       GLN  66   2.612  -2.749  14.382
  693   1HE2  GLN  66          2HE2      GLN  66   5.504  -0.715  14.375
  694   2HE2  GLN  66          1HE2      GLN  66   4.666  -1.992  15.116
  695    QB   GLN  66           QB       GLN  66   3.271  -4.148  12.659
  696    QG   GLN  66           QG       GLN  66   2.245  -2.331  13.699
  697    QE2  GLN  66           QE2      GLN  66   5.085  -1.354  14.746
  698    H    GLN  67           HN       GLN  67   3.144  -3.424   8.513
  699    HA   GLN  67           HA       GLN  67   5.296  -5.461   8.465
  700   1HB   GLN  67          2HB       GLN  67   2.681  -5.234   6.928
  701   2HB   GLN  67          3HB       GLN  67   3.948  -6.352   6.508
  702   1HG   GLN  67          2HG       GLN  67   2.584  -6.260   9.217
  703   2HG   GLN  67          3HG       GLN  67   2.177  -7.403   7.942
  704   1HE2  GLN  67          2HE2      GLN  67   5.492  -8.019  10.182
  705   2HE2  GLN  67          1HE2      GLN  67   4.556  -6.622  10.401
  706    QB   GLN  67           QB       GLN  67   3.315  -5.793   6.718
  707    QG   GLN  67           QG       GLN  67   2.381  -6.831   8.579
  708    QE2  GLN  67           QE2      GLN  67   5.024  -7.320  10.292
  709    H    HIS  68           HN       HIS  68   6.385  -5.574   6.386
  710    HA   HIS  68           HA       HIS  68   6.379  -2.962   4.935
  711   1HB   HIS  68          2HB       HIS  68   8.420  -3.036   6.190
  712   2HB   HIS  68          3HB       HIS  68   8.669  -4.720   5.819
  713    HD1  HIS  68           HD1      HIS  68  10.951  -4.220   4.796
  714    HD2  HIS  68           HD2      HIS  68   7.963  -2.179   2.834
  715    HE1  HIS  68           HE1      HIS  68  11.817  -3.696   2.502
  716    QB   HIS  68           QB       HIS  68   8.544  -3.878   6.005
  717    H    ILE  69           HN       ILE  69   6.412  -3.142   2.677
  718    HA   ILE  69           HA       ILE  69   6.120  -5.929   1.667
  719    HB   ILE  69           HB       ILE  69   5.497  -3.308   0.258
  720   1HG1  ILE  69          2HG1      ILE  69   4.145  -3.355   2.272
  721   2HG1  ILE  69          3HG1      ILE  69   3.111  -3.754   0.914
  722   1HG2  ILE  69          1HG2      ILE  69   4.569  -6.160  -0.237
  723   2HG2  ILE  69          2HG2      ILE  69   4.050  -4.747  -1.148
  724   3HG2  ILE  69          3HG2      ILE  69   5.727  -5.274  -1.219
  725   1HD1  ILE  69          3HD1      ILE  69   3.314  -6.177   1.472
  726   2HD1  ILE  69          1HD1      ILE  69   4.347  -5.771   2.835
  727   3HD1  ILE  69          2HD1      ILE  69   2.667  -5.262   2.825
  728    QG1  ILE  69           QG1      ILE  69   3.628  -3.555   1.593
  729    QG2  ILE  69           QG2      ILE  69   4.782  -5.394  -0.868
  730    QD1  ILE  69           QD1      ILE  69   3.442  -5.737   2.378
  731    H    GLY  70           HN       GLY  70   7.057  -3.448  -0.581
  732   1HA   GLY  70          1HA       GLY  70   9.549  -2.922  -0.888
  733   2HA   GLY  70          2HA       GLY  70   9.810  -4.646  -0.653
  734    QA   GLY  70           QA       GLY  70   9.679  -3.784  -0.771
  735    H    GLY  71           HN       GLY  71   7.849  -2.470  -2.653
  736   1HA   GLY  71          1HA       GLY  71   8.401  -2.559  -5.135
  737   2HA   GLY  71          2HA       GLY  71   8.298  -4.308  -4.964
  738    QA   GLY  71           QA       GLY  71   8.350  -3.433  -5.049
  739    OH   TYR  72           OH       TYR  72  -1.079  -3.807  -9.086
  740    H    TYR  72           HN       TYR  72   6.611  -3.697  -6.762
  741    HA   TYR  72           HA       TYR  72   3.991  -3.068  -5.442
  742   1HB   TYR  72          2HB       TYR  72   4.282  -1.446  -7.164
  743   2HB   TYR  72          3HB       TYR  72   4.896  -2.646  -8.305
  744    HD1  TYR  72           HD2      TYR  72   1.908  -2.328  -6.057
  745    HD2  TYR  72           HD1      TYR  72   3.326  -3.247  -9.961
  746    HE1  TYR  72           HE2      TYR  72  -0.356  -3.009  -6.719
  747    HE2  TYR  72           HE1      TYR  72   1.053  -3.898 -10.624
  748    HH   TYR  72           HH       TYR  72  -1.654  -3.063  -8.847
  749    QB   TYR  72           QB       TYR  72   4.589  -2.046  -7.734
  750    QR   TYR  72           QR       TYR  72   1.483  -3.120  -8.340
  751    H    THR  73           HN       THR  73   5.147  -4.962  -8.267
  752    HA   THR  73           HA       THR  73   3.020  -6.767  -8.420
  753    HB   THR  73           HB       THR  73   4.751  -7.021 -10.080
  754    HG1  THR  73          1HG       THR  73   5.607  -9.246  -9.119
  755   1HG2  THR  73          1HG2      THR  73   6.667  -6.153  -8.647
  756   2HG2  THR  73          2HG2      THR  73   6.674  -7.695  -7.798
  757   3HG2  THR  73          3HG2      THR  73   7.073  -7.628  -9.513
  758    QG2  THR  73           QG2      THR  73   6.805  -7.159  -8.653
  759    H    ASP  74           HN       ASP  74   5.640  -6.544  -6.219
  760    HA   ASP  74           HA       ASP  74   5.332  -8.916  -4.694
  761   1HB   ASP  74          2HB       ASP  74   6.183  -6.218  -3.588
  762   2HB   ASP  74          3HB       ASP  74   6.739  -7.813  -3.088
  763    QB   ASP  74           QB       ASP  74   6.461  -7.016  -3.338
  764    H    PHE  75           HN       PHE  75   3.910  -5.696  -4.350
  765    HA   PHE  75           HA       PHE  75   2.406  -6.247  -1.972
  766   1HB   PHE  75          2HB       PHE  75   2.820  -3.952  -2.713
  767   2HB   PHE  75          3HB       PHE  75   1.963  -4.239  -4.217
  768    HD1  PHE  75          2HD       PHE  75   0.911  -5.287  -0.772
  769    HD2  PHE  75          1HD       PHE  75   0.159  -2.712  -4.079
  770    HE1  PHE  75          2HE       PHE  75  -1.160  -4.523   0.292
  771    HE2  PHE  75          1HE       PHE  75  -1.913  -1.955  -3.019
  772    HZ   PHE  75           HZ       PHE  75  -2.576  -2.851  -0.822
  773    QB   PHE  75           QB       PHE  75   2.391  -4.096  -3.465
  774    QR   PHE  75           QR       PHE  75  -0.501  -3.619  -1.894
  775    H    ALA  76           HN       ALA  76   1.678  -6.499  -5.411
  776    HA   ALA  76           HA       ALA  76  -1.053  -7.396  -5.126
  777   1HB   ALA  76          1HB       ALA  76  -0.095  -6.675  -7.317
  778   2HB   ALA  76          2HB       ALA  76   0.940  -8.100  -7.321
  779   3HB   ALA  76          3HB       ALA  76  -0.810  -8.279  -7.427
  780    QB   ALA  76           QB       ALA  76   0.012  -7.685  -7.355
  781    H    ALA  77           HN       ALA  77   1.894  -9.334  -5.688
  782    HA   ALA  77           HA       ALA  77   0.671 -11.876  -5.258
  783   1HB   ALA  77          1HB       ALA  77   3.043 -11.595  -6.030
  784   2HB   ALA  77          2HB       ALA  77   3.485 -11.012  -4.432
  785   3HB   ALA  77          3HB       ALA  77   2.938 -12.673  -4.642
  786    QB   ALA  77           QB       ALA  77   3.155 -11.760  -5.035
  787    CH2  TRP  78           CH2      TRP  78  -1.478  -6.859   2.989
  788    H    TRP  78           HN       TRP  78   2.344  -9.777  -2.944
  789    HA   TRP  78           HA       TRP  78   2.058 -11.033  -0.543
  790   1HB   TRP  78          2HB       TRP  78   2.988  -8.805  -0.757
  791   2HB   TRP  78          3HB       TRP  78   1.451  -8.160  -1.221
  792    HD1  TRP  78           HD1      TRP  78   3.413  -9.223   1.887
  793    HE1  TRP  78           HE1      TRP  78   2.189  -8.513   3.941
  794    HE3  TRP  78           HE3      TRP  78  -0.740  -7.468  -0.273
  795    HZ2  TRP  78           HZ2      TRP  78  -0.205  -7.289   4.653
  796    HZ3  TRP  78           HZ3      TRP  78  -2.540  -6.544   1.163
  797    HH2  TRP  78           HH2      TRP  78  -2.261  -6.434   3.604
  798    QB   TRP  78           QB       TRP  78   2.219  -8.483  -0.989
  799    H    VAL  79           HN       VAL  79  -0.487  -9.028  -1.965
  800    HA   VAL  79           HA       VAL  79  -2.558  -9.377  -0.178
  801    HB   VAL  79           HB       VAL  79  -2.577  -9.308  -3.213
  802   1HG1  VAL  79          2HG1      VAL  79  -4.979  -9.142  -1.360
  803   2HG1  VAL  79          3HG1      VAL  79  -5.001  -8.802  -3.083
  804   3HG1  VAL  79          1HG1      VAL  79  -4.665 -10.428  -2.515
  805   1HG2  VAL  79          1HG2      VAL  79  -1.806  -7.282  -2.028
  806   2HG2  VAL  79          2HG2      VAL  79  -3.321  -7.002  -2.849
  807   3HG2  VAL  79          3HG2      VAL  79  -3.302  -7.241  -1.110
  808    QG1  VAL  79           QG1      VAL  79  -4.881  -9.457  -2.319
  809    QG2  VAL  79           QG2      VAL  79  -2.810  -7.175  -1.996
  810    QQG  VAL  79           QQG      VAL  79  -3.846  -8.316  -2.157
  811    H    LYS  80           HN       LYS  80  -2.081 -11.512  -2.946
  812    HA   LYS  80           HA       LYS  80  -4.037 -13.409  -2.535
  813   1HB   LYS  80          2HB       LYS  80  -2.042 -13.062  -4.289
  814   2HB   LYS  80          3HB       LYS  80  -1.338 -14.395  -3.406
  815   1HG   LYS  80          2HG       LYS  80  -4.217 -14.585  -4.335
  816   2HG   LYS  80          3HG       LYS  80  -2.937 -14.790  -5.515
  817   1HD   LYS  80          2HD       LYS  80  -3.012 -16.972  -4.895
  818   2HD   LYS  80          3HD       LYS  80  -2.020 -16.432  -3.562
  819   1HE   LYS  80          2HE       LYS  80  -4.624 -15.895  -2.684
  820   2HE   LYS  80          3HE       LYS  80  -4.795 -17.406  -3.563
  821   1HZ   LYS  80          2HZ       LYS  80  -2.492 -17.561  -1.967
  822   2HZ   LYS  80          3HZ       LYS  80  -3.767 -16.970  -1.010
  823   3HZ   LYS  80          1HZ       LYS  80  -3.941 -18.451  -1.816
  824    QB   LYS  80           QB       LYS  80  -1.690 -13.728  -3.848
  825    QG   LYS  80           QG       LYS  80  -3.577 -14.688  -4.925
  826    QD   LYS  80           QD       LYS  80  -2.516 -16.702  -4.228
  827    QE   LYS  80           QE       LYS  80  -4.709 -16.650  -3.123
  828    QZ   LYS  80           QZ       LYS  80  -3.400 -17.660  -1.598
  829    H    GLU  81           HN       GLU  81  -1.070 -13.208  -0.633
  830    HA   GLU  81           HA       GLU  81  -1.906 -15.727   0.781
  831   1HB   GLU  81          2HB       GLU  81   0.751 -14.369   0.356
  832   2HB   GLU  81          3HB       GLU  81   0.540 -15.330   1.808
  833   1HG   GLU  81          2HG       GLU  81   1.513 -16.688  -0.004
  834   2HG   GLU  81          3HG       GLU  81  -0.083 -17.294   0.422
  835    QB   GLU  81           QB       GLU  81   0.645 -14.849   1.082
  836    QG   GLU  81           QG       GLU  81   0.715 -16.991   0.209
  837    H    ASN  82           HN       ASN  82  -1.319 -12.318   1.340
  838    HA   ASN  82           HA       ASN  82  -1.425 -12.672   4.258
  839   1HB   ASN  82          2HB       ASN  82  -1.298 -10.235   2.459
  840   2HB   ASN  82          3HB       ASN  82  -1.476 -10.102   4.208
  841   1HD2  ASN  82          2HD2      ASN  82   2.036 -11.628   2.723
  842   2HD2  ASN  82          1HD2      ASN  82   0.634 -11.715   1.768
  843    QB   ASN  82           QB       ASN  82  -1.387 -10.168   3.333
  844    QD2  ASN  82           QD2      ASN  82   1.335 -11.672   2.246
  845    H    LEU  83           HN       LEU  83  -3.649 -11.728   1.713
  846    HA   LEU  83           HA       LEU  83  -5.779 -11.347   3.789
  847   1HB   LEU  83          2HB       LEU  83  -5.913 -10.742   0.810
  848   2HB   LEU  83          3HB       LEU  83  -7.107 -10.308   2.021
  849    HG   LEU  83           HG       LEU  83  -4.263  -9.241   1.872
  850   1HD1  LEU  83          1HD1      LEU  83  -5.816  -8.316   0.173
  851   2HD1  LEU  83          2HD1      LEU  83  -6.956  -7.900   1.443
  852   3HD1  LEU  83          3HD1      LEU  83  -5.391  -7.100   1.363
  853   1HD2  LEU  83          1HD2      LEU  83  -6.527  -8.598   3.813
  854   2HD2  LEU  83          2HD2      LEU  83  -5.031  -9.441   4.217
  855   3HD2  LEU  83          3HD2      LEU  83  -4.985  -7.752   3.735
  856    QB   LEU  83           QB       LEU  83  -6.510 -10.525   1.415
  857    QD1  LEU  83           QD1      LEU  83  -6.054  -7.772   0.993
  858    QD2  LEU  83           QD2      LEU  83  -5.514  -8.597   3.922
  859    QQD  LEU  83           QQD      LEU  83  -5.784  -8.184   2.457
  860    H    ASP  84           HN       ASP  84  -4.907 -12.868   0.828
  861    HA   ASP  84           HA       ASP  84  -5.438 -14.803  -0.265
  862   1HB   ASP  84          2HB       ASP  84  -4.618 -15.787   1.834
  863   2HB   ASP  84          3HB       ASP  84  -6.228 -15.724   2.503
  864    QB   ASP  84           QB       ASP  84  -5.423 -15.756   2.168
  865    H    ALA  85           HN       ALA  85  -7.910 -14.564   2.114
  866    HA   ALA  85           HA       ALA  85  -9.994 -14.594  -0.025
  867   1HB   ALA  85          2HB       ALA  85  -9.938 -16.739   1.224
  868   2HB   ALA  85          3HB       ALA  85 -10.126 -15.861   2.740
  869   3HB   ALA  85          1HB       ALA  85 -11.432 -15.866   1.558
  870    QB   ALA  85           QB       ALA  85 -10.499 -16.155   1.840
   
  Start of MODEL          13
 Raw file had 870 H/Q atoms
  Start of MODEL   13
    1    H    MET   1           HN       MET   1  -4.894  -3.536   9.393
    2    HA   MET   1           HA       MET   1  -3.950  -3.770   6.786
    3   1HB   MET   1          2HB       MET   1  -6.690  -3.041   7.853
    4   2HB   MET   1          3HB       MET   1  -6.387  -3.438   6.170
    5   1HG   MET   1          2HG       MET   1  -6.973  -5.229   8.228
    6   2HG   MET   1          3HG       MET   1  -6.473  -5.613   6.608
    7   1HE   MET   1          2HE       MET   1  -4.717  -6.284   5.787
    8   2HE   MET   1          3HE       MET   1  -3.079  -6.268   6.430
    9   3HE   MET   1          1HE       MET   1  -4.102  -7.690   6.646
   10    QB   MET   1           QB       MET   1  -6.539  -3.239   7.011
   11    QG   MET   1           QG       MET   1  -6.723  -5.421   7.418
   12    QE   MET   1           QE       MET   1  -3.966  -6.747   6.288
   13    H    GLN   2           HN       GLN   2  -2.852  -1.429   7.809
   14    HA   GLN   2           HA       GLN   2  -3.999   0.730   6.198
   15   1HB   GLN   2          2HB       GLN   2  -2.397   0.567   8.735
   16   2HB   GLN   2          3HB       GLN   2  -2.226   1.989   7.730
   17   1HG   GLN   2          2HG       GLN   2  -3.986   2.215   9.525
   18   2HG   GLN   2          3HG       GLN   2  -4.602   2.477   7.905
   19   1HE2  GLN   2          2HE2      GLN   2  -7.157   0.183   8.664
   20   2HE2  GLN   2          1HE2      GLN   2  -6.755   1.769   8.209
   21    QB   GLN   2           QB       GLN   2  -2.312   1.278   8.233
   22    QG   GLN   2           QG       GLN   2  -4.294   2.346   8.715
   23    QE2  GLN   2           QE2      GLN   2  -6.956   0.976   8.437
   24    H    THR   3           HN       THR   3  -3.137   0.311   4.289
   25    HA   THR   3           HA       THR   3  -0.361  -0.625   4.007
   26    HB   THR   3           HB       THR   3  -2.486   0.013   1.883
   27    HG1  THR   3          1HG       THR   3  -3.405  -1.574   3.005
   28   1HG2  THR   3          3HG2      THR   3  -0.127  -0.440   1.055
   29   2HG2  THR   3          1HG2      THR   3  -0.173  -1.973   1.920
   30   3HG2  THR   3          2HG2      THR   3  -1.283  -1.677   0.586
   31    QG2  THR   3           QG2      THR   3  -0.528  -1.363   1.187
   32    H    VAL   4           HN       VAL   4   1.062   0.995   4.312
   33    HA   VAL   4           HA       VAL   4   0.515   3.717   3.251
   34    HB   VAL   4           HB       VAL   4   2.797   2.683   4.982
   35   1HG1  VAL   4          2HG1      VAL   4   1.986   5.523   4.229
   36   2HG1  VAL   4          3HG1      VAL   4   3.246   5.095   5.386
   37   3HG1  VAL   4          1HG1      VAL   4   3.439   4.680   3.687
   38   1HG2  VAL   4          2HG2      VAL   4   0.342   4.307   5.729
   39   2HG2  VAL   4          3HG2      VAL   4   0.618   2.625   6.154
   40   3HG2  VAL   4          1HG2      VAL   4   1.657   3.885   6.821
   41    QG1  VAL   4           QG1      VAL   4   2.890   5.099   4.434
   42    QG2  VAL   4           QG2      VAL   4   0.872   3.606   6.235
   43    QQG  VAL   4           QQG      VAL   4   1.881   4.353   5.335
   44    H    ILE   5           HN       ILE   5   1.425   4.459   1.485
   45    HA   ILE   5           HA       ILE   5   3.675   2.938   0.232
   46    HB   ILE   5           HB       ILE   5   1.564   4.723  -1.083
   47   1HG1  ILE   5          2HG1      ILE   5   0.958   2.743  -2.422
   48   2HG1  ILE   5          3HG1      ILE   5   2.123   1.775  -1.542
   49   1HG2  ILE   5          2HG2      ILE   5   3.973   3.275  -2.238
   50   2HG2  ILE   5          3HG2      ILE   5   2.722   4.049  -3.203
   51   3HG2  ILE   5          1HG2      ILE   5   3.741   5.020  -2.150
   52   1HD1  ILE   5          3HD1      ILE   5  -0.275   3.142  -0.278
   53   2HD1  ILE   5          1HD1      ILE   5  -0.213   1.442  -0.731
   54   3HD1  ILE   5          2HD1      ILE   5   0.837   2.049   0.535
   55    QG1  ILE   5           QG1      ILE   5   1.541   2.259  -1.982
   56    QG2  ILE   5           QG2      ILE   5   3.479   4.115  -2.530
   57    QD1  ILE   5           QD1      ILE   5   0.116   2.211  -0.158
   58    H    PHE   6           HN       PHE   6   5.522   4.001   0.516
   59    HA   PHE   6           HA       PHE   6   5.479   7.002   0.717
   60   1HB   PHE   6          2HB       PHE   6   7.271   4.869   1.860
   61   2HB   PHE   6          3HB       PHE   6   8.007   6.403   1.443
   62    HD1  PHE   6          2HD       PHE   6   4.498   6.419   2.545
   63    HD2  PHE   6          1HD       PHE   6   8.533   6.824   3.834
   64    HE1  PHE   6          2HE       PHE   6   3.733   7.337   4.677
   65    HE2  PHE   6          1HE       PHE   6   7.758   7.678   5.990
   66    HZ   PHE   6           HZ       PHE   6   5.361   7.978   6.408
   67    QB   PHE   6           QB       PHE   6   7.639   5.636   1.651
   68    QR   PHE   6           QR       PHE   6   6.131   7.064   4.262
   69    H    GLY   7           HN       GLY   7   5.548   7.607  -1.391
   70   1HA   GLY   7          1HA       GLY   7   7.847   6.569  -3.004
   71   2HA   GLY   7          2HA       GLY   7   6.253   6.708  -3.719
   72    QA   GLY   7           QA       GLY   7   7.050   6.638  -3.361
   73    NH1  ARG   8           NH1      ARG   8   7.995  14.623  -5.102
   74    NH2  ARG   8           NH2      ARG   8   8.326  15.105  -7.316
   75    H    ARG   8           HN       ARG   8   7.297   7.992  -5.279
   76    HA   ARG   8           HA       ARG   8   7.582  10.834  -4.406
   77   1HB   ARG   8          2HB       ARG   8   9.555   9.208  -5.619
   78   2HB   ARG   8          3HB       ARG   8   8.910  10.168  -6.939
   79   1HG   ARG   8          2HG       ARG   8   9.430  11.707  -4.453
   80   2HG   ARG   8          3HG       ARG   8  10.862  11.019  -5.202
   81   1HD   ARG   8          2HD       ARG   8  10.522  13.229  -6.141
   82   2HD   ARG   8          3HD       ARG   8  10.151  12.049  -7.394
   83    HE   ARG   8           HE       ARG   8   7.717  12.477  -6.928
   84   1HH1  ARG   8          2HH1      ARG   8   7.901  13.920  -4.383
   85   2HH1  ARG   8          1HH1      ARG   8   7.856  15.574  -4.869
   86   1HH2  ARG   8          2HH2      ARG   8   8.499  14.756  -8.236
   87   2HH2  ARG   8          1HH2      ARG   8   8.178  16.081  -7.174
   88    QB   ARG   8           QB       ARG   8   9.233   9.688  -6.279
   89    QG   ARG   8           QG       ARG   8  10.146  11.363  -4.827
   90    QD   ARG   8           QD       ARG   8  10.337  12.639  -6.768
   91    QH1  ARG   8           QH1      ARG   8   7.878  14.747  -4.626
   92    QH2  ARG   8           QH2      ARG   8   8.339  15.419  -7.705
   93    H    SER   9           HN       SER   9   6.156  12.114  -5.369
   94    HA   SER   9           HA       SER   9   4.041  11.243  -6.965
   95   1HB   SER   9          2HB       SER   9   4.099  13.801  -7.773
   96   2HB   SER   9          3HB       SER   9   3.716  13.416  -6.083
   97    HG   SER   9           HG       SER   9   5.781  13.839  -5.492
   98    QB   SER   9           QB       SER   9   3.907  13.608  -6.928
   99    H    GLY  10           HN       GLY  10   4.357  10.083  -8.748
  100   1HA   GLY  10          1HA       GLY  10   4.680  10.714 -11.261
  101   2HA   GLY  10          2HA       GLY  10   6.330  11.063 -10.770
  102    QA   GLY  10           QA       GLY  10   5.505  10.889 -11.016
  103    H    CYS  11           HN       CYS  11   5.857   8.654  -8.802
  104    HA   CYS  11           HA       CYS  11   6.827   6.638 -10.739
  105   1HB   CYS  11          2HB       CYS  11   6.640   6.602  -7.726
  106   2HB   CYS  11          3HB       CYS  11   7.300   5.301  -8.678
  107    HG   CYS  11           HG       CYS  11   8.718   7.954  -8.055
  108    QB   CYS  11           QB       CYS  11   6.970   5.952  -8.202
  109    HA   PRO  12           HA       PRO  12   2.369   5.938 -10.873
  110   1HB   PRO  12          2HB       PRO  12   2.372   4.120 -12.977
  111   2HB   PRO  12          3HB       PRO  12   2.447   5.878 -13.178
  112   1HG   PRO  12          2HG       PRO  12   4.684   3.858 -13.259
  113   2HG   PRO  12          3HG       PRO  12   4.444   5.290 -14.273
  114   1HD   PRO  12          2HD       PRO  12   6.210   5.270 -12.185
  115   2HD   PRO  12          3HD       PRO  12   5.317   6.732 -12.655
  116    QB   PRO  12           QB       PRO  12   2.410   4.999 -13.077
  117    QG   PRO  12           QG       PRO  12   4.564   4.574 -13.766
  118    QD   PRO  12           QD       PRO  12   5.763   6.001 -12.420
  119    OH   TYR  13           OH       TYR  13   7.654  -1.421 -12.883
  120    H    TYR  13           HN       TYR  13   4.670   3.751  -9.916
  121    HA   TYR  13           HA       TYR  13   3.071   1.329  -9.770
  122   1HB   TYR  13          2HB       TYR  13   5.603   2.260  -8.387
  123   2HB   TYR  13          3HB       TYR  13   4.830   0.750  -7.938
  124    HD1  TYR  13           HD1      TYR  13   4.170   1.023 -11.378
  125    HD2  TYR  13           HD2      TYR  13   7.411   0.293  -8.703
  126    HE1  TYR  13           HE1      TYR  13   5.324  -0.247 -13.112
  127    HE2  TYR  13           HE2      TYR  13   8.569  -0.955 -10.466
  128    HH   TYR  13           HH       TYR  13   7.973  -2.238 -12.491
  129    QB   TYR  13           QB       TYR  13   5.217   1.505  -8.162
  130    QR   TYR  13           QR       TYR  13   6.368   0.028 -10.915
  131    H    CYS  14           HN       CYS  14   3.699   4.103  -7.693
  132    HA   CYS  14           HA       CYS  14   2.441   3.050  -5.333
  133   1HB   CYS  14          2HB       CYS  14   3.634   5.065  -5.048
  134   2HB   CYS  14          3HB       CYS  14   2.813   5.847  -6.369
  135    HG   CYS  14           HG       CYS  14   1.858   5.774  -3.480
  136    QB   CYS  14           QB       CYS  14   3.223   5.456  -5.709
  137    H    VAL  15           HN       VAL  15   1.226   4.807  -8.127
  138    HA   VAL  15           HA       VAL  15  -1.484   5.037  -7.333
  139    HB   VAL  15           HB       VAL  15  -0.353   4.597 -10.133
  140   1HG1  VAL  15          2HG1      VAL  15  -3.037   5.724  -9.227
  141   2HG1  VAL  15          3HG1      VAL  15  -2.464   5.651 -10.890
  142   3HG1  VAL  15          1HG1      VAL  15  -2.796   4.169 -10.011
  143   1HG2  VAL  15          3HG2      VAL  15   0.571   6.587  -8.960
  144   2HG2  VAL  15          1HG2      VAL  15  -0.477   7.063 -10.292
  145   3HG2  VAL  15          2HG2      VAL  15  -1.064   7.148  -8.630
  146    QG1  VAL  15           QG1      VAL  15  -2.766   5.181 -10.043
  147    QG2  VAL  15           QG2      VAL  15  -0.323   6.933  -9.294
  148    QQG  VAL  15           QQG      VAL  15  -1.545   6.057  -9.668
  149    NH1  ARG  16           NH2      ARG  16  -3.281   1.282 -13.586
  150    NH2  ARG  16           NH1      ARG  16  -3.773   2.275 -11.616
  151    H    ARG  16           HN       ARG  16  -0.017   2.522  -9.403
  152    HA   ARG  16           HA       ARG  16  -2.246   0.800  -9.493
  153   1HB   ARG  16          2HB       ARG  16   0.679  -0.016  -9.268
  154   2HB   ARG  16          3HB       ARG  16  -0.615  -1.071  -9.813
  155   1HG   ARG  16          2HG       ARG  16  -0.166   1.585 -11.185
  156   2HG   ARG  16          3HG       ARG  16   0.857   0.220 -11.586
  157   1HD   ARG  16          2HD       ARG  16  -1.035   0.339 -13.143
  158   2HD   ARG  16          3HD       ARG  16  -1.155  -1.116 -12.164
  159    HE   ARG  16           HE       ARG  16  -3.012  -0.104 -10.930
  160   1HH1  ARG  16          2HH2      ARG  16  -2.870   0.518 -14.073
  161   2HH1  ARG  16          1HH2      ARG  16  -3.750   2.002 -14.095
  162   1HH2  ARG  16          2HH1      ARG  16  -3.737   2.264 -10.612
  163   2HH2  ARG  16          1HH1      ARG  16  -4.266   3.015 -12.072
  164    QB   ARG  16           QB       ARG  16   0.032  -0.544  -9.541
  165    QG   ARG  16           QG       ARG  16   0.346   0.903 -11.386
  166    QD   ARG  16           QD       ARG  16  -1.095  -0.389 -12.653
  167    QH1  ARG  16           QH2      ARG  16  -3.310   1.260 -14.084
  168    QH2  ARG  16           QH1      ARG  16  -4.001   2.640 -11.342
  169    H    ALA  17           HN       ALA  17   0.320   0.820  -6.964
  170    HA   ALA  17           HA       ALA  17  -0.875  -1.214  -5.383
  171   1HB   ALA  17          3HB       ALA  17   1.346  -0.242  -4.837
  172   2HB   ALA  17          1HB       ALA  17   0.563   1.260  -4.362
  173   3HB   ALA  17          2HB       ALA  17   0.276  -0.214  -3.439
  174    QB   ALA  17           QB       ALA  17   0.728   0.268  -4.213
  175    H    LYS  18           HN       LYS  18  -1.352   2.310  -5.130
  176    HA   LYS  18           HA       LYS  18  -3.357   2.380  -3.187
  177   1HB   LYS  18          2HB       LYS  18  -2.717   4.501  -3.885
  178   2HB   LYS  18          3HB       LYS  18  -2.716   4.065  -5.580
  179   1HG   LYS  18          2HG       LYS  18  -5.392   3.996  -4.280
  180   2HG   LYS  18          3HG       LYS  18  -4.653   5.581  -4.387
  181   1HD   LYS  18          2HD       LYS  18  -4.422   5.442  -6.775
  182   2HD   LYS  18          3HD       LYS  18  -4.847   3.743  -6.802
  183   1HE   LYS  18          2HE       LYS  18  -6.702   5.986  -5.923
  184   2HE   LYS  18          3HE       LYS  18  -6.721   5.232  -7.512
  185   1HZ   LYS  18          1HZ       LYS  18  -6.844   3.187  -5.651
  186   2HZ   LYS  18          2HZ       LYS  18  -7.970   4.351  -5.136
  187   3HZ   LYS  18          3HZ       LYS  18  -8.074   3.695  -6.707
  188    QB   LYS  18           QB       LYS  18  -2.717   4.283  -4.733
  189    QG   LYS  18           QG       LYS  18  -5.023   4.789  -4.333
  190    QD   LYS  18           QD       LYS  18  -4.634   4.592  -6.789
  191    QE   LYS  18           QE       LYS  18  -6.712   5.609  -6.717
  192    QZ   LYS  18           QZ       LYS  18  -7.629   3.744  -5.832
  193    H    ASP  19           HN       ASP  19  -3.807   1.925  -6.664
  194    HA   ASP  19           HA       ASP  19  -6.636   1.517  -6.584
  195   1HB   ASP  19          2HB       ASP  19  -4.452   0.723  -8.510
  196   2HB   ASP  19          3HB       ASP  19  -6.130   0.344  -8.841
  197    QB   ASP  19           QB       ASP  19  -5.291   0.533  -8.676
  198    H    LEU  20           HN       LEU  20  -4.048  -0.901  -6.821
  199    HA   LEU  20           HA       LEU  20  -5.619  -3.186  -6.596
  200   1HB   LEU  20          2HB       LEU  20  -3.237  -3.423  -6.950
  201   2HB   LEU  20          3HB       LEU  20  -2.873  -2.625  -5.427
  202    HG   LEU  20           HG       LEU  20  -3.797  -4.486  -4.152
  203   1HD1  LEU  20          3HD1      LEU  20  -4.591  -5.643  -6.853
  204   2HD1  LEU  20          1HD1      LEU  20  -4.735  -6.481  -5.314
  205   3HD1  LEU  20          2HD1      LEU  20  -5.703  -5.050  -5.628
  206   1HD2  LEU  20          2HD2      LEU  20  -1.483  -4.744  -4.995
  207   2HD2  LEU  20          3HD2      LEU  20  -2.293  -6.301  -4.870
  208   3HD2  LEU  20          1HD2      LEU  20  -2.100  -5.531  -6.443
  209    QB   LEU  20           QB       LEU  20  -3.055  -3.024  -6.188
  210    QD1  LEU  20           QD1      LEU  20  -5.010  -5.725  -5.932
  211    QD2  LEU  20           QD2      LEU  20  -1.958  -5.525  -5.436
  212    QQD  LEU  20           QQD      LEU  20  -3.484  -5.625  -5.684
  213    H    ALA  21           HN       ALA  21  -4.155  -1.374  -3.900
  214    HA   ALA  21           HA       ALA  21  -5.441  -2.856  -1.813
  215   1HB   ALA  21          2HB       ALA  21  -4.537   0.050  -1.841
  216   2HB   ALA  21          3HB       ALA  21  -4.963  -0.858  -0.398
  217   3HB   ALA  21          1HB       ALA  21  -3.559  -1.325  -1.348
  218    QB   ALA  21           QB       ALA  21  -4.353  -0.711  -1.196
  219    H    GLU  22           HN       GLU  22  -6.479  -0.075  -3.719
  220    HA   GLU  22           HA       GLU  22  -8.756   0.667  -2.263
  221   1HB   GLU  22          2HB       GLU  22  -7.893   1.782  -4.322
  222   2HB   GLU  22          3HB       GLU  22  -8.558   0.475  -5.281
  223   1HG   GLU  22          2HG       GLU  22 -10.688   1.233  -5.100
  224   2HG   GLU  22          3HG       GLU  22 -10.489   1.709  -3.414
  225    QB   GLU  22           QB       GLU  22  -8.226   1.128  -4.801
  226    QG   GLU  22           QG       GLU  22 -10.588   1.471  -4.257
  227    H    LYS  23           HN       LYS  23  -8.520  -1.921  -4.731
  228    HA   LYS  23           HA       LYS  23 -11.157  -2.850  -4.761
  229   1HB   LYS  23          2HB       LYS  23  -9.406  -3.998  -6.069
  230   2HB   LYS  23          3HB       LYS  23  -8.635  -4.572  -4.605
  231   1HG   LYS  23          2HG       LYS  23 -11.522  -5.307  -5.000
  232   2HG   LYS  23          3HG       LYS  23 -10.355  -6.097  -6.043
  233   1HD   LYS  23          2HD       LYS  23  -9.057  -6.629  -3.817
  234   2HD   LYS  23          3HD       LYS  23 -10.579  -6.250  -3.021
  235   1HE   LYS  23          2HE       LYS  23 -11.730  -7.977  -4.382
  236   2HE   LYS  23          3HE       LYS  23 -10.225  -8.343  -5.210
  237   1HZ   LYS  23          1HZ       LYS  23  -9.905  -8.522  -2.372
  238   2HZ   LYS  23          2HZ       LYS  23 -11.167  -9.524  -2.893
  239   3HZ   LYS  23          3HZ       LYS  23  -9.603  -9.695  -3.584
  240    QB   LYS  23           QB       LYS  23  -9.020  -4.285  -5.337
  241    QG   LYS  23           QG       LYS  23 -10.938  -5.702  -5.522
  242    QD   LYS  23           QD       LYS  23  -9.818  -6.440  -3.419
  243    QE   LYS  23           QE       LYS  23 -10.978  -8.160  -4.796
  244    QZ   LYS  23           QZ       LYS  23 -10.225  -9.247  -2.950
  245    H    LEU  24           HN       LEU  24  -8.692  -4.031  -2.551
  246    HA   LEU  24           HA       LEU  24 -10.219  -5.594  -0.803
  247   1HB   LEU  24          2HB       LEU  24  -7.968  -3.649  -0.120
  248   2HB   LEU  24          3HB       LEU  24  -8.534  -4.900   0.959
  249    HG   LEU  24           HG       LEU  24  -7.572  -5.545  -1.845
  250   1HD1  LEU  24          2HD1      LEU  24  -5.791  -4.341  -0.587
  251   2HD1  LEU  24          3HD1      LEU  24  -5.960  -5.483   0.727
  252   3HD1  LEU  24          1HD1      LEU  24  -5.375  -6.025  -0.841
  253   1HD2  LEU  24          3HD2      LEU  24  -8.887  -7.267  -0.619
  254   2HD2  LEU  24          1HD2      LEU  24  -7.224  -7.777  -0.839
  255   3HD2  LEU  24          2HD2      LEU  24  -7.763  -7.169   0.725
  256    QB   LEU  24           QB       LEU  24  -8.251  -4.274   0.419
  257    QD1  LEU  24           QD1      LEU  24  -5.709  -5.283  -0.234
  258    QD2  LEU  24           QD2      LEU  24  -7.958  -7.404  -0.244
  259    QQD  LEU  24           QQD      LEU  24  -6.833  -6.344  -0.239
  260    H    SER  25           HN       SER  25  -9.511  -2.166  -0.601
  261    HA   SER  25           HA       SER  25 -11.094  -1.491   1.615
  262   1HB   SER  25          2HB       SER  25  -9.438  -0.060   0.131
  263   2HB   SER  25          3HB       SER  25 -10.912   0.381  -0.743
  264    HG   SER  25           HG       SER  25 -10.595   0.431   2.080
  265    QB   SER  25           QB       SER  25 -10.175   0.161  -0.306
  266    H    ASN  26           HN       ASN  26 -12.091  -1.859  -1.758
  267    HA   ASN  26           HA       ASN  26 -14.924  -1.271  -0.958
  268   1HB   ASN  26          2HB       ASN  26 -13.901  -0.101  -2.984
  269   2HB   ASN  26          3HB       ASN  26 -13.801  -1.680  -3.746
  270   1HD2  ASN  26          2HD2      ASN  26 -17.229  -1.748  -4.597
  271   2HD2  ASN  26          1HD2      ASN  26 -15.747  -2.580  -4.617
  272    QB   ASN  26           QB       ASN  26 -13.851  -0.890  -3.365
  273    QD2  ASN  26           QD2      ASN  26 -16.488  -2.164  -4.607
  274    H    GLU  27           HN       GLU  27 -13.580  -3.620  -0.209
  275    HA   GLU  27           HA       GLU  27 -15.237  -5.702  -1.593
  276   1HB   GLU  27          2HB       GLU  27 -12.781  -5.874  -2.132
  277   2HB   GLU  27          3HB       GLU  27 -12.437  -5.982  -0.415
  278   1HG   GLU  27          2HG       GLU  27 -14.020  -8.024  -0.399
  279   2HG   GLU  27          3HG       GLU  27 -13.879  -7.982  -2.148
  280    QB   GLU  27           QB       GLU  27 -12.609  -5.928  -1.274
  281    QG   GLU  27           QG       GLU  27 -13.950  -8.003  -1.274
  282    NH1  ARG  28           NH1      ARG  28  -9.911  -9.282   3.049
  283    NH2  ARG  28           NH2      ARG  28 -11.498  -9.759   1.465
  284    H    ARG  28           HN       ARG  28 -13.338  -4.886   1.170
  285    HA   ARG  28           HA       ARG  28 -15.298  -6.105   3.074
  286   1HB   ARG  28          2HB       ARG  28 -13.319  -6.726   4.449
  287   2HB   ARG  28          3HB       ARG  28 -13.182  -7.419   2.836
  288   1HG   ARG  28          2HG       ARG  28 -11.932  -5.143   2.295
  289   2HG   ARG  28          3HG       ARG  28 -11.714  -5.072   4.025
  290   1HD   ARG  28          2HD       ARG  28  -9.794  -6.128   2.930
  291   2HD   ARG  28          3HD       ARG  28 -10.620  -7.239   4.012
  292    HE   ARG  28           HE       ARG  28 -11.107  -7.300   1.027
  293   1HH1  ARG  28          2HH1      ARG  28  -9.404  -8.584   3.564
  294   2HH1  ARG  28          1HH1      ARG  28  -9.748 -10.248   3.228
  295   1HH2  ARG  28          2HH2      ARG  28 -12.155  -9.430   0.776
  296   2HH2  ARG  28          1HH2      ARG  28 -11.379 -10.739   1.590
  297    QB   ARG  28           QB       ARG  28 -13.250  -7.073   3.642
  298    QG   ARG  28           QG       ARG  28 -11.823  -5.107   3.160
  299    QD   ARG  28           QD       ARG  28 -10.207  -6.683   3.471
  300    QH1  ARG  28           QH1      ARG  28  -9.576  -9.416   3.396
  301    QH2  ARG  28           QH2      ARG  28 -11.767 -10.085   1.183
  302    H    ASP  29           HN       ASP  29 -14.611  -5.082   5.428
  303    HA   ASP  29           HA       ASP  29 -14.383  -2.122   4.989
  304   1HB   ASP  29          2HB       ASP  29 -15.755  -1.916   7.073
  305   2HB   ASP  29          3HB       ASP  29 -16.608  -2.775   5.795
  306    QB   ASP  29           QB       ASP  29 -16.181  -2.345   6.434
  307    H    ASP  30           HN       ASP  30 -12.250  -4.122   5.480
  308    HA   ASP  30           HA       ASP  30 -11.170  -2.977   8.026
  309   1HB   ASP  30          2HB       ASP  30  -9.887  -5.047   8.305
  310   2HB   ASP  30          3HB       ASP  30 -11.595  -5.424   8.141
  311    QB   ASP  30           QB       ASP  30 -10.741  -5.235   8.223
  312    H    PHE  31           HN       PHE  31 -10.686  -2.940   4.669
  313    HA   PHE  31           HA       PHE  31  -7.749  -2.536   5.034
  314   1HB   PHE  31          2HB       PHE  31  -8.922  -4.218   3.335
  315   2HB   PHE  31          3HB       PHE  31  -8.954  -2.785   2.314
  316    HD1  PHE  31          1HD       PHE  31  -6.820  -1.715   1.611
  317    HD2  PHE  31          2HD       PHE  31  -6.838  -5.263   3.991
  318    HE1  PHE  31          1HE       PHE  31  -4.411  -2.007   1.221
  319    HE2  PHE  31          2HE       PHE  31  -4.433  -5.547   3.566
  320    HZ   PHE  31           HZ       PHE  31  -3.224  -3.929   2.182
  321    QB   PHE  31           QB       PHE  31  -8.938  -3.501   2.824
  322    QR   PHE  31           QR       PHE  31  -5.626  -3.633   2.597
  323    H    GLN  32           HN       GLN  32  -6.813  -0.636   4.772
  324    HA   GLN  32           HA       GLN  32  -8.101   1.406   3.023
  325   1HB   GLN  32          2HB       GLN  32  -7.105   1.898   5.861
  326   2HB   GLN  32          3HB       GLN  32  -7.497   3.174   4.722
  327   1HG   GLN  32          2HG       GLN  32  -9.471   2.921   6.041
  328   2HG   GLN  32          3HG       GLN  32  -9.835   2.114   4.524
  329   1HE2  GLN  32          2HE2      GLN  32  -8.802  -0.787   7.144
  330   2HE2  GLN  32          1HE2      GLN  32  -7.644   0.300   6.537
  331    QB   GLN  32           QB       GLN  32  -7.301   2.536   5.291
  332    QG   GLN  32           QG       GLN  32  -9.653   2.518   5.283
  333    QE2  GLN  32           QE2      GLN  32  -8.223  -0.243   6.840
  334    OH   TYR  33           OH       TYR  33  -7.530   5.527  -2.906
  335    H    TYR  33           HN       TYR  33  -6.508   2.936   2.150
  336    HA   TYR  33           HA       TYR  33  -3.684   2.009   2.528
  337   1HB   TYR  33          2HB       TYR  33  -3.238   2.443   0.158
  338   2HB   TYR  33          3HB       TYR  33  -4.542   1.277   0.325
  339    HD1  TYR  33           HD1      TYR  33  -6.891   1.925  -0.230
  340    HD2  TYR  33           HD2      TYR  33  -3.670   4.671  -0.743
  341    HE1  TYR  33           HE1      TYR  33  -8.286   3.302  -1.699
  342    HE2  TYR  33           HE2      TYR  33  -5.080   6.035  -2.201
  343    HH   TYR  33           HH       TYR  33  -8.350   5.048  -3.080
  344    QB   TYR  33           QB       TYR  33  -3.890   1.860   0.242
  345    QR   TYR  33           QR       TYR  33  -5.982   3.983  -1.218
  346    H    GLN  34           HN       GLN  34  -2.065   3.617   2.227
  347    HA   GLN  34           HA       GLN  34  -3.008   6.444   2.540
  348   1HB   GLN  34          2HB       GLN  34  -0.756   5.066   4.064
  349   2HB   GLN  34          3HB       GLN  34  -1.197   6.755   4.225
  350   1HG   GLN  34          2HG       GLN  34  -2.245   5.691   6.072
  351   2HG   GLN  34          3HG       GLN  34  -3.534   5.912   4.903
  352   1HE2  GLN  34          2HE2      GLN  34  -4.253   2.449   5.047
  353   2HE2  GLN  34          1HE2      GLN  34  -4.833   4.038   4.907
  354    QB   GLN  34           QB       GLN  34  -0.976   5.911   4.145
  355    QG   GLN  34           QG       GLN  34  -2.889   5.802   5.487
  356    QE2  GLN  34           QE2      GLN  34  -4.543   3.244   4.977
  357    OH   TYR  35           OH       TYR  35   2.053  10.185  -5.660
  358    H    TYR  35           HN       TYR  35  -2.182   7.637   0.890
  359    HA   TYR  35           HA       TYR  35   0.414   6.757  -0.322
  360   1HB   TYR  35          2HB       TYR  35  -1.411   6.774  -1.908
  361   2HB   TYR  35          3HB       TYR  35  -1.917   8.372  -1.395
  362    HD1  TYR  35           HD2      TYR  35   1.720   7.973  -1.729
  363    HD2  TYR  35           HD1      TYR  35  -1.865   8.867  -3.854
  364    HE1  TYR  35           HE2      TYR  35   3.024   9.023  -3.506
  365    HE2  TYR  35           HE1      TYR  35  -0.547   9.919  -5.624
  366    HH   TYR  35           HH       TYR  35   2.170  11.097  -5.388
  367    QB   TYR  35           QB       TYR  35  -1.664   7.573  -1.652
  368    QR   TYR  35           QR       TYR  35   0.583   8.946  -3.678
  369    H    VAL  36           HN       VAL  36   2.085   7.865   0.478
  370    HA   VAL  36           HA       VAL  36   1.758  10.808   0.979
  371    HB   VAL  36           HB       VAL  36   3.734   9.046   2.454
  372   1HG1  VAL  36          1HG1      VAL  36   2.228  11.567   3.218
  373   2HG1  VAL  36          2HG1      VAL  36   3.416  10.741   4.223
  374   3HG1  VAL  36          3HG1      VAL  36   3.915  11.489   2.710
  375   1HG2  VAL  36          1HG2      VAL  36   0.816   9.464   3.210
  376   2HG2  VAL  36          2HG2      VAL  36   1.549   7.930   2.755
  377   3HG2  VAL  36          3HG2      VAL  36   2.030   8.723   4.249
  378    QG1  VAL  36           QG1      VAL  36   3.186  11.266   3.384
  379    QG2  VAL  36           QG2      VAL  36   1.465   8.706   3.405
  380    QQG  VAL  36           QQG      VAL  36   2.326   9.986   3.394
  381    H    ASP  37           HN       ASP  37   3.750  12.079   0.601
  382    HA   ASP  37           HA       ASP  37   5.610  10.760  -1.368
  383   1HB   ASP  37          2HB       ASP  37   4.289  12.447  -2.519
  384   2HB   ASP  37          3HB       ASP  37   4.584  13.614  -1.261
  385    QB   ASP  37           QB       ASP  37   4.437  13.031  -1.890
  386    H    ILE  38           HN       ILE  38   7.686  10.778  -0.838
  387    HA   ILE  38           HA       ILE  38   8.580  11.186   1.753
  388    HB   ILE  38           HB       ILE  38  10.864  11.068   0.847
  389   1HG1  ILE  38          2HG1      ILE  38   9.436  11.618  -1.787
  390   2HG1  ILE  38          3HG1      ILE  38  10.671  12.613  -1.029
  391   1HG2  ILE  38          2HG2      ILE  38   9.380   9.022   0.912
  392   2HG2  ILE  38          3HG2      ILE  38   8.927   9.334  -0.758
  393   3HG2  ILE  38          1HG2      ILE  38  10.593   8.937  -0.351
  394   1HD1  ILE  38          3HD1      ILE  38  12.313  10.758  -1.292
  395   2HD1  ILE  38          1HD1      ILE  38  11.081   9.804  -2.119
  396   3HD1  ILE  38          2HD1      ILE  38  11.668  11.296  -2.835
  397    QG1  ILE  38           QG1      ILE  38  10.053  12.116  -1.408
  398    QG2  ILE  38           QG2      ILE  38   9.633   9.098  -0.066
  399    QD1  ILE  38           QD1      ILE  38  11.687  10.619  -2.082
  400    NH1  ARG  39           NH2      ARG  39   7.071  19.052   0.971
  401    NH2  ARG  39           NH1      ARG  39   6.240  19.782  -1.029
  402    H    ARG  39           HN       ARG  39   8.620  13.682  -0.789
  403    HA   ARG  39           HA       ARG  39  10.064  15.447   1.107
  404   1HB   ARG  39          2HB       ARG  39  10.600  15.576  -1.327
  405   2HB   ARG  39          3HB       ARG  39   8.957  16.105  -1.648
  406   1HG   ARG  39          2HG       ARG  39  10.140  17.700   0.498
  407   2HG   ARG  39          3HG       ARG  39  11.182  17.715  -0.913
  408   1HD   ARG  39          2HD       ARG  39   9.441  19.556  -0.891
  409   2HD   ARG  39          3HD       ARG  39   9.391  18.527  -2.325
  410    HE   ARG  39           HE       ARG  39   7.461  17.319  -1.239
  411   1HH1  ARG  39          2HH2      ARG  39   7.709  18.458   1.468
  412   2HH1  ARG  39          1HH2      ARG  39   6.441  19.626   1.494
  413   1HH2  ARG  39          2HH1      ARG  39   6.216  19.684  -2.025
  414   2HH2  ARG  39          1HH1      ARG  39   5.637  20.440  -0.576
  415    QB   ARG  39           QB       ARG  39   9.779  15.841  -1.488
  416    QG   ARG  39           QG       ARG  39  10.661  17.708  -0.207
  417    QD   ARG  39           QD       ARG  39   9.416  19.042  -1.608
  418    QH1  ARG  39           QH2      ARG  39   7.075  19.042   1.481
  419    QH2  ARG  39           QH1      ARG  39   5.927  20.062  -1.301
  420    H    ALA  40           HN       ALA  40   6.910  15.181  -0.470
  421    HA   ALA  40           HA       ALA  40   5.492  17.377   0.366
  422   1HB   ALA  40          3HB       ALA  40   4.602  14.503   0.638
  423   2HB   ALA  40          1HB       ALA  40   3.521  15.890   0.708
  424   3HB   ALA  40          2HB       ALA  40   4.405  15.538  -0.775
  425    QB   ALA  40           QB       ALA  40   4.176  15.310   0.190
  426    H    GLU  41           HN       GLU  41   5.933  14.517   2.461
  427    HA   GLU  41           HA       GLU  41   5.344  16.298   4.798
  428   1HB   GLU  41          2HB       GLU  41   5.091  13.317   4.353
  429   2HB   GLU  41          3HB       GLU  41   5.098  13.988   5.977
  430   1HG   GLU  41          2HG       GLU  41   2.785  13.737   5.195
  431   2HG   GLU  41          3HG       GLU  41   3.163  15.444   5.375
  432    QB   GLU  41           QB       GLU  41   5.095  13.652   5.165
  433    QG   GLU  41           QG       GLU  41   2.974  14.590   5.285
  434    H    GLY  42           HN       GLY  42   7.820  16.503   3.659
  435   1HA   GLY  42          1HA       GLY  42  10.145  16.151   3.963
  436   2HA   GLY  42          2HA       GLY  42   9.686  16.862   5.499
  437    QA   GLY  42           QA       GLY  42   9.916  16.507   4.731
  438    H    ILE  43           HN       ILE  43   9.833  13.690   3.910
  439    HA   ILE  43           HA       ILE  43  10.488  12.442   6.536
  440    HB   ILE  43           HB       ILE  43   9.902  11.082   3.871
  441   1HG1  ILE  43          2HG1      ILE  43   7.969  11.775   6.119
  442   2HG1  ILE  43          3HG1      ILE  43   8.027  12.576   4.558
  443   1HG2  ILE  43          1HG2      ILE  43  10.997   9.688   5.638
  444   2HG2  ILE  43          2HG2      ILE  43   9.691  10.097   6.749
  445   3HG2  ILE  43          3HG2      ILE  43   9.362   9.142   5.306
  446   1HD1  ILE  43          2HD1      ILE  43   7.533  10.404   3.437
  447   2HD1  ILE  43          3HD1      ILE  43   7.391   9.651   5.018
  448   3HD1  ILE  43          1HD1      ILE  43   6.252  10.897   4.538
  449    QG1  ILE  43           QG1      ILE  43   7.998  12.176   5.338
  450    QG2  ILE  43           QG2      ILE  43  10.017   9.642   5.898
  451    QD1  ILE  43           QD1      ILE  43   7.059  10.317   4.331
  452    H    THR  44           HN       THR  44  12.556  11.489   6.809
  453    HA   THR  44           HA       THR  44  14.485  12.134   4.629
  454    HB   THR  44           HB       THR  44  16.207  12.040   6.458
  455    HG1  THR  44          1HG       THR  44  15.640  11.237   8.313
  456   1HG2  THR  44          2HG2      THR  44  14.871  14.202   6.169
  457   2HG2  THR  44          3HG2      THR  44  13.735  13.599   7.369
  458   3HG2  THR  44          1HG2      THR  44  15.403  13.932   7.824
  459    QG2  THR  44           QG2      THR  44  14.670  13.911   7.120
  460    H    LYS  45           HN       LYS  45  16.423  10.577   4.539
  461    HA   LYS  45           HA       LYS  45  15.307   7.981   3.984
  462   1HB   LYS  45          2HB       LYS  45  18.156   8.992   3.955
  463   2HB   LYS  45          3HB       LYS  45  17.759   7.336   3.545
  464   1HG   LYS  45          2HG       LYS  45  16.752   9.852   2.159
  465   2HG   LYS  45          3HG       LYS  45  17.891   8.696   1.501
  466   1HD   LYS  45          2HD       LYS  45  14.959   8.117   2.133
  467   2HD   LYS  45          3HD       LYS  45  15.631   8.399   0.548
  468   1HE   LYS  45          2HE       LYS  45  15.434   6.045   0.736
  469   2HE   LYS  45          3HE       LYS  45  17.148   6.397   0.908
  470   1HZ   LYS  45          3HZ       LYS  45  16.030   6.448   3.475
  471   2HZ   LYS  45          1HZ       LYS  45  15.438   5.061   2.703
  472   3HZ   LYS  45          2HZ       LYS  45  17.111   5.311   2.826
  473    QB   LYS  45           QB       LYS  45  17.957   8.164   3.750
  474    QG   LYS  45           QG       LYS  45  17.322   9.274   1.830
  475    QD   LYS  45           QD       LYS  45  15.295   8.258   1.340
  476    QE   LYS  45           QE       LYS  45  16.291   6.221   0.822
  477    QZ   LYS  45           QZ       LYS  45  16.193   5.607   3.002
  478    H    GLU  46           HN       GLU  46  17.200   9.223   6.696
  479    HA   GLU  46           HA       GLU  46  17.875   6.691   7.854
  480   1HB   GLU  46          2HB       GLU  46  17.040   9.085   9.523
  481   2HB   GLU  46          3HB       GLU  46  18.246   7.870   9.902
  482   1HG   GLU  46          2HG       GLU  46  19.884   9.124   8.948
  483   2HG   GLU  46          3HG       GLU  46  18.997   9.232   7.437
  484    QB   GLU  46           QB       GLU  46  17.643   8.477   9.712
  485    QG   GLU  46           QG       GLU  46  19.440   9.178   8.192
  486    H    ASP  47           HN       ASP  47  15.135   8.880   8.444
  487    HA   ASP  47           HA       ASP  47  13.556   7.344  10.175
  488   1HB   ASP  47          2HB       ASP  47  12.985   9.627   9.541
  489   2HB   ASP  47          3HB       ASP  47  12.715   9.138   7.874
  490    QB   ASP  47           QB       ASP  47  12.850   9.383   8.707
  491    H    LEU  48           HN       LEU  48  13.457   7.318   6.643
  492    HA   LEU  48           HA       LEU  48  11.536   5.231   6.348
  493   1HB   LEU  48          2HB       LEU  48  13.417   6.702   4.628
  494   2HB   LEU  48          3HB       LEU  48  13.141   5.053   4.080
  495    HG   LEU  48           HG       LEU  48  10.854   6.915   4.813
  496   1HD1  LEU  48          1HD1      LEU  48  12.169   7.941   2.973
  497   2HD1  LEU  48          2HD1      LEU  48  12.077   6.427   2.071
  498   3HD1  LEU  48          3HD1      LEU  48  10.615   7.349   2.395
  499   1HD2  LEU  48          3HD2      LEU  48  11.088   4.347   3.181
  500   2HD2  LEU  48          1HD2      LEU  48  10.302   4.518   4.748
  501   3HD2  LEU  48          2HD2      LEU  48   9.615   5.289   3.327
  502    QB   LEU  48           QB       LEU  48  13.279   5.878   4.354
  503    QD1  LEU  48           QD1      LEU  48  11.620   7.239   2.480
  504    QD2  LEU  48           QD2      LEU  48  10.335   4.718   3.752
  505    QQD  LEU  48           QQD      LEU  48  10.978   5.978   3.116
  506    H    GLN  49           HN       GLN  49  15.095   5.062   6.186
  507    HA   GLN  49           HA       GLN  49  15.345   2.275   5.772
  508   1HB   GLN  49          2HB       GLN  49  17.254   3.903   5.818
  509   2HB   GLN  49          3HB       GLN  49  17.059   4.051   7.560
  510   1HG   GLN  49          2HG       GLN  49  17.516   1.611   7.800
  511   2HG   GLN  49          3HG       GLN  49  17.744   1.495   6.057
  512   1HE2  GLN  49          2HE2      GLN  49  20.760   2.796   8.350
  513   2HE2  GLN  49          1HE2      GLN  49  19.340   2.113   8.984
  514    QB   GLN  49           QB       GLN  49  17.157   3.977   6.689
  515    QG   GLN  49           QG       GLN  49  17.630   1.553   6.928
  516    QE2  GLN  49           QE2      GLN  49  20.050   2.455   8.667
  517    H    GLN  50           HN       GLN  50  15.022   4.150   8.706
  518    HA   GLN  50           HA       GLN  50  15.023   2.188  10.670
  519   1HB   GLN  50          2HB       GLN  50  14.001   4.923  10.291
  520   2HB   GLN  50          3HB       GLN  50  13.320   4.057  11.628
  521   1HG   GLN  50          2HG       GLN  50  16.297   4.048  11.280
  522   2HG   GLN  50          3HG       GLN  50  15.531   5.501  11.905
  523   1HE2  GLN  50          2HE2      GLN  50  14.647   2.294  14.264
  524   2HE2  GLN  50          1HE2      GLN  50  14.234   2.249  12.615
  525    QB   GLN  50           QB       GLN  50  13.661   4.490  10.959
  526    QG   GLN  50           QG       GLN  50  15.914   4.774  11.593
  527    QE2  GLN  50           QE2      GLN  50  14.440   2.271  13.440
  528    H    LYS  51           HN       LYS  51  12.596   2.984   8.348
  529    HA   LYS  51           HA       LYS  51  10.518   1.444   9.814
  530   1HB   LYS  51          2HB       LYS  51  10.537   3.536   7.744
  531   2HB   LYS  51          3HB       LYS  51   9.382   2.259   7.412
  532   1HG   LYS  51          2HG       LYS  51   8.311   2.552   9.565
  533   2HG   LYS  51          3HG       LYS  51   9.571   3.646  10.110
  534   1HD   LYS  51          2HD       LYS  51   7.761   4.221   7.733
  535   2HD   LYS  51          3HD       LYS  51   7.410   4.778   9.365
  536   1HE   LYS  51          2HE       LYS  51   9.907   5.458   7.758
  537   2HE   LYS  51          3HE       LYS  51   8.559   6.536   8.058
  538   1HZ   LYS  51          2HZ       LYS  51   9.337   5.641  10.540
  539   2HZ   LYS  51          3HZ       LYS  51  10.787   5.963   9.700
  540   3HZ   LYS  51          1HZ       LYS  51   9.622   7.189   9.860
  541    QB   LYS  51           QB       LYS  51   9.960   2.897   7.578
  542    QG   LYS  51           QG       LYS  51   8.941   3.099   9.838
  543    QD   LYS  51           QD       LYS  51   7.585   4.499   8.549
  544    QE   LYS  51           QE       LYS  51   9.233   5.997   7.908
  545    QZ   LYS  51           QZ       LYS  51   9.915   6.264  10.033
  546    H    ALA  52           HN       ALA  52  12.464   1.295   6.897
  547    HA   ALA  52           HA       ALA  52  11.121  -1.032   5.812
  548   1HB   ALA  52          2HB       ALA  52  12.409   0.543   4.414
  549   2HB   ALA  52          3HB       ALA  52  13.892   0.054   5.219
  550   3HB   ALA  52          1HB       ALA  52  13.009  -1.105   4.227
  551    QB   ALA  52           QB       ALA  52  13.103  -0.169   4.620
  552    H    GLY  53           HN       GLY  53  14.152  -0.614   7.621
  553   1HA   GLY  53          1HA       GLY  53  14.760  -2.339   9.303
  554   2HA   GLY  53          2HA       GLY  53  14.067  -3.558   8.232
  555    QA   GLY  53           QA       GLY  53  14.414  -2.948   8.767
  556    H    LYS  54           HN       LYS  54  15.001  -2.854   5.878
  557    HA   LYS  54           HA       LYS  54  17.883  -3.531   6.039
  558   1HB   LYS  54          2HB       LYS  54  16.170  -4.768   4.563
  559   2HB   LYS  54          3HB       LYS  54  16.043  -3.302   3.612
  560   1HG   LYS  54          2HG       LYS  54  18.402  -3.451   2.975
  561   2HG   LYS  54          3HG       LYS  54  18.636  -4.819   4.052
  562   1HD   LYS  54          2HD       LYS  54  18.094  -6.183   2.334
  563   2HD   LYS  54          3HD       LYS  54  16.451  -5.580   2.444
  564   1HE   LYS  54          2HE       LYS  54  18.673  -4.482   0.679
  565   2HE   LYS  54          3HE       LYS  54  17.234  -5.335   0.145
  566   1HZ   LYS  54          1HZ       LYS  54  16.504  -3.101   1.724
  567   2HZ   LYS  54          2HZ       LYS  54  17.564  -2.618   0.491
  568   3HZ   LYS  54          3HZ       LYS  54  16.140  -3.422   0.076
  569    QB   LYS  54           QB       LYS  54  16.107  -4.035   4.088
  570    QG   LYS  54           QG       LYS  54  18.519  -4.135   3.514
  571    QD   LYS  54           QD       LYS  54  17.273  -5.882   2.389
  572    QE   LYS  54           QE       LYS  54  17.954  -4.909   0.412
  573    QZ   LYS  54           QZ       LYS  54  16.736  -3.047   0.764
  574    HA   PRO  55           HA       PRO  55  18.850   0.611   4.014
  575   1HB   PRO  55          2HB       PRO  55  20.311  -0.730   1.944
  576   2HB   PRO  55          3HB       PRO  55  20.978   0.196   3.295
  577   1HG   PRO  55          2HG       PRO  55  20.739  -2.758   2.987
  578   2HG   PRO  55          3HG       PRO  55  21.851  -1.826   3.995
  579   1HD   PRO  55          2HD       PRO  55  19.700  -3.226   5.024
  580   2HD   PRO  55          3HD       PRO  55  20.374  -1.783   5.802
  581    QB   PRO  55           QB       PRO  55  20.644  -0.267   2.619
  582    QG   PRO  55           QG       PRO  55  21.295  -2.292   3.491
  583    QD   PRO  55           QD       PRO  55  20.037  -2.505   5.413
  584    H    VAL  56           HN       VAL  56  17.955   1.405   1.906
  585    HA   VAL  56           HA       VAL  56  16.067  -0.570   0.731
  586    HB   VAL  56           HB       VAL  56  14.679   1.524   0.254
  587   1HG1  VAL  56          3HG1      VAL  56  15.188   0.637   3.121
  588   2HG1  VAL  56          1HG1      VAL  56  13.743   1.468   2.568
  589   3HG1  VAL  56          2HG1      VAL  56  14.100  -0.154   1.982
  590   1HG2  VAL  56          3HG2      VAL  56  16.496   3.150   0.731
  591   2HG2  VAL  56          1HG2      VAL  56  15.074   3.416   1.741
  592   3HG2  VAL  56          2HG2      VAL  56  16.494   2.619   2.418
  593    QG1  VAL  56           QG1      VAL  56  14.343   0.650   2.557
  594    QG2  VAL  56           QG2      VAL  56  16.021   3.062   1.630
  595    QQG  VAL  56           QQG      VAL  56  15.182   1.856   2.094
  596    H    GLU  57           HN       GLU  57  15.748  -0.545  -1.485
  597    HA   GLU  57           HA       GLU  57  18.007   0.534  -3.005
  598   1HB   GLU  57          2HB       GLU  57  15.623  -1.187  -3.773
  599   2HB   GLU  57          3HB       GLU  57  16.852  -0.680  -4.923
  600   1HG   GLU  57          2HG       GLU  57  17.370  -2.928  -4.047
  601   2HG   GLU  57          3HG       GLU  57  18.599  -1.779  -3.540
  602    QB   GLU  57           QB       GLU  57  16.237  -0.934  -4.348
  603    QG   GLU  57           QG       GLU  57  17.985  -2.353  -3.793
  604    H    THR  58           HN       THR  58  14.505   0.615  -3.770
  605    HA   THR  58           HA       THR  58  14.786   3.513  -4.355
  606    HB   THR  58           HB       THR  58  13.696   1.523  -6.416
  607    HG1  THR  58          1HG       THR  58  16.210   2.341  -5.646
  608   1HG2  THR  58          2HG2      THR  58  14.629   4.428  -6.653
  609   2HG2  THR  58          3HG2      THR  58  14.069   3.421  -7.980
  610   3HG2  THR  58          1HG2      THR  58  12.942   3.923  -6.733
  611    QG2  THR  58           QG2      THR  58  13.880   3.924  -7.122
  612    H    VAL  59           HN       VAL  59  12.595   4.383  -5.066
  613    HA   VAL  59           HA       VAL  59  10.490   3.373  -3.220
  614    HB   VAL  59           HB       VAL  59   9.524   5.717  -3.645
  615   1HG1  VAL  59          3HG1      VAL  59  12.356   5.561  -2.562
  616   2HG1  VAL  59          1HG1      VAL  59  11.222   6.870  -2.251
  617   3HG1  VAL  59          2HG1      VAL  59  10.888   5.255  -1.640
  618   1HG2  VAL  59          2HG2      VAL  59  10.647   6.106  -5.828
  619   2HG2  VAL  59          3HG2      VAL  59  10.992   7.388  -4.675
  620   3HG2  VAL  59          1HG2      VAL  59  12.200   6.157  -5.003
  621    QG1  VAL  59           QG1      VAL  59  11.489   5.895  -2.151
  622    QG2  VAL  59           QG2      VAL  59  11.280   6.550  -5.168
  623    QQG  VAL  59           QQG      VAL  59  11.384   6.223  -3.660
  624    HA   PRO  60           HA       PRO  60   8.244   4.385  -3.242
  625   1HB   PRO  60          2HB       PRO  60   5.725   3.187  -3.634
  626   2HB   PRO  60          3HB       PRO  60   6.154   4.829  -4.086
  627   1HG   PRO  60          2HG       PRO  60   5.550   2.651  -5.851
  628   2HG   PRO  60          3HG       PRO  60   6.069   4.275  -6.310
  629   1HD   PRO  60          2HD       PRO  60   7.663   1.769  -6.157
  630   2HD   PRO  60          3HD       PRO  60   7.996   3.255  -7.073
  631    QB   PRO  60           QB       PRO  60   5.940   4.008  -3.860
  632    QG   PRO  60           QG       PRO  60   5.810   3.463  -6.081
  633    QD   PRO  60           QD       PRO  60   7.829   2.512  -6.615
  634    H    GLN  61           HN       GLN  61   7.908   3.434  -1.232
  635    HA   GLN  61           HA       GLN  61   8.160   0.442  -1.176
  636   1HB   GLN  61          2HB       GLN  61   9.261   2.624   0.531
  637   2HB   GLN  61          3HB       GLN  61   8.704   1.200   1.395
  638   1HG   GLN  61          2HG       GLN  61  10.129  -0.222  -0.096
  639   2HG   GLN  61          3HG       GLN  61  10.752   1.249  -0.850
  640   1HE2  GLN  61          2HE2      GLN  61  12.212   0.094   2.734
  641   2HE2  GLN  61          1HE2      GLN  61  10.996  -0.814   1.985
  642    QB   GLN  61           QB       GLN  61   8.983   1.912   0.963
  643    QG   GLN  61           QG       GLN  61  10.440   0.513  -0.473
  644    QE2  GLN  61           QE2      GLN  61  11.604  -0.360   2.360
  645    H    ILE  62           HN       ILE  62   6.811  -0.765   0.176
  646    HA   ILE  62           HA       ILE  62   4.438   0.755   1.200
  647    HB   ILE  62           HB       ILE  62   4.411  -2.041   0.014
  648   1HG1  ILE  62          2HG1      ILE  62   3.873   0.726  -1.071
  649   2HG1  ILE  62          3HG1      ILE  62   4.812  -0.569  -1.787
  650   1HG2  ILE  62          1HG2      ILE  62   2.656  -1.638   1.753
  651   2HG2  ILE  62          2HG2      ILE  62   2.142  -0.192   0.890
  652   3HG2  ILE  62          3HG2      ILE  62   1.936  -1.779   0.154
  653   1HD1  ILE  62          3HD1      ILE  62   2.719  -1.855  -2.170
  654   2HD1  ILE  62          1HD1      ILE  62   1.785  -0.523  -1.506
  655   3HD1  ILE  62          2HD1      ILE  62   2.701  -0.305  -2.990
  656    QG1  ILE  62           QG1      ILE  62   4.342   0.078  -1.429
  657    QG2  ILE  62           QG2      ILE  62   2.245  -1.203   0.933
  658    QD1  ILE  62           QD1      ILE  62   2.402  -0.894  -2.222
  659    H    PHE  63           HN       PHE  63   3.606   0.287   3.097
  660    HA   PHE  63           HA       PHE  63   4.833  -1.910   4.733
  661   1HB   PHE  63          2HB       PHE  63   4.115   0.866   5.756
  662   2HB   PHE  63          3HB       PHE  63   4.876  -0.426   6.681
  663    HD1  PHE  63          2HD       PHE  63   5.368   1.714   3.662
  664    HD2  PHE  63          1HD       PHE  63   7.255  -0.647   6.671
  665    HE1  PHE  63          2HE       PHE  63   7.561   2.345   2.784
  666    HE2  PHE  63          1HE       PHE  63   9.451   0.042   5.812
  667    HZ   PHE  63           HZ       PHE  63   9.611   1.510   3.854
  668    QB   PHE  63           QB       PHE  63   4.495   0.220   6.219
  669    QR   PHE  63           QR       PHE  63   7.409   0.863   4.732
  670    H    VAL  64           HN       VAL  64   3.453  -2.741   6.370
  671    HA   VAL  64           HA       VAL  64   0.531  -2.187   5.939
  672    HB   VAL  64           HB       VAL  64   1.996  -4.835   6.388
  673   1HG1  VAL  64          1HG1      VAL  64  -0.999  -4.334   6.197
  674   2HG1  VAL  64          2HG1      VAL  64  -0.228  -5.915   6.251
  675   3HG1  VAL  64          3HG1      VAL  64  -0.136  -4.847   7.646
  676   1HG2  VAL  64          2HG2      VAL  64   2.048  -3.966   4.074
  677   2HG2  VAL  64          3HG2      VAL  64   1.030  -5.400   4.174
  678   3HG2  VAL  64          1HG2      VAL  64   0.296  -3.803   4.086
  679    QG1  VAL  64           QG1      VAL  64  -0.454  -5.032   6.698
  680    QG2  VAL  64           QG2      VAL  64   1.125  -4.390   4.111
  681    QQG  VAL  64           QQG      VAL  64   0.335  -4.711   5.405
  682    H    ASP  65           HN       ASP  65   0.140  -0.983   7.757
  683    HA   ASP  65           HA       ASP  65  -0.151  -0.498  10.038
  684   1HB   ASP  65          2HB       ASP  65   0.535  -3.435  10.458
  685   2HB   ASP  65          3HB       ASP  65  -0.295  -2.393  11.590
  686    QB   ASP  65           QB       ASP  65   0.120  -2.914  11.024
  687    H    GLN  66           HN       GLN  66   2.164  -2.962  10.589
  688    HA   GLN  66           HA       GLN  66   4.257  -0.964  11.290
  689   1HB   GLN  66          2HB       GLN  66   3.552  -3.526  12.766
  690   2HB   GLN  66          3HB       GLN  66   5.046  -2.638  13.041
  691   1HG   GLN  66          2HG       GLN  66   3.491  -1.922  14.738
  692   2HG   GLN  66          3HG       GLN  66   3.615  -0.604  13.579
  693   1HE2  GLN  66          2HE2      GLN  66   0.168  -0.677  12.978
  694   2HE2  GLN  66          1HE2      GLN  66   1.608   0.215  13.022
  695    QB   GLN  66           QB       GLN  66   4.299  -3.082  12.904
  696    QG   GLN  66           QG       GLN  66   3.553  -1.263  14.158
  697    QE2  GLN  66           QE2      GLN  66   0.888  -0.231  13.000
  698    H    GLN  67           HN       GLN  67   3.413  -3.727   9.510
  699    HA   GLN  67           HA       GLN  67   6.090  -4.871   9.340
  700   1HB   GLN  67          2HB       GLN  67   3.519  -5.338   7.794
  701   2HB   GLN  67          3HB       GLN  67   4.977  -6.271   7.577
  702   1HG   GLN  67          2HG       GLN  67   4.846  -6.948   9.996
  703   2HG   GLN  67          3HG       GLN  67   3.294  -6.112  10.095
  704   1HE2  GLN  67          2HE2      GLN  67   3.304  -9.806   8.632
  705   2HE2  GLN  67          1HE2      GLN  67   4.510  -9.158   9.631
  706    QB   GLN  67           QB       GLN  67   4.248  -5.805   7.686
  707    QG   GLN  67           QG       GLN  67   4.070  -6.530  10.045
  708    QE2  GLN  67           QE2      GLN  67   3.907  -9.482   9.131
  709    H    HIS  68           HN       HIS  68   6.991  -5.238   7.177
  710    HA   HIS  68           HA       HIS  68   6.699  -2.880   5.358
  711   1HB   HIS  68          2HB       HIS  68   8.801  -2.713   6.621
  712   2HB   HIS  68          3HB       HIS  68   9.198  -4.366   6.241
  713    HD1  HIS  68           HD1      HIS  68  11.375  -3.519   5.148
  714    HD2  HIS  68           HD2      HIS  68   8.028  -2.056   3.261
  715    HE1  HIS  68           HE1      HIS  68  12.072  -2.891   2.802
  716    QB   HIS  68           QB       HIS  68   8.999  -3.540   6.431
  717    H    ILE  69           HN       ILE  69   6.442  -3.497   3.206
  718    HA   ILE  69           HA       ILE  69   6.505  -6.440   2.684
  719    HB   ILE  69           HB       ILE  69   5.121  -4.316   1.017
  720   1HG1  ILE  69          2HG1      ILE  69   4.190  -4.215   3.303
  721   2HG1  ILE  69          3HG1      ILE  69   3.032  -4.921   2.192
  722   1HG2  ILE  69          3HG2      ILE  69   4.821  -7.331   1.268
  723   2HG2  ILE  69          1HG2      ILE  69   3.790  -6.306   0.284
  724   3HG2  ILE  69          2HG2      ILE  69   5.498  -6.458  -0.101
  725   1HD1  ILE  69          3HD1      ILE  69   4.848  -6.512   4.051
  726   2HD1  ILE  69          1HD1      ILE  69   3.138  -6.197   4.316
  727   3HD1  ILE  69          2HD1      ILE  69   3.645  -7.189   2.960
  728    QG1  ILE  69           QG1      ILE  69   3.611  -4.568   2.748
  729    QG2  ILE  69           QG2      ILE  69   4.703  -6.698   0.484
  730    QD1  ILE  69           QD1      ILE  69   3.877  -6.633   3.775
  731    H    GLY  70           HN       GLY  70   7.634  -3.346   1.565
  732   1HA   GLY  70          1HA       GLY  70   9.948  -3.392   0.557
  733   2HA   GLY  70          2HA       GLY  70   9.404  -4.755  -0.409
  734    QA   GLY  70           QA       GLY  70   9.676  -4.073   0.074
  735    H    GLY  71           HN       GLY  71   8.812  -4.232  -2.436
  736   1HA   GLY  71          1HA       GLY  71   7.943  -1.420  -2.985
  737   2HA   GLY  71          2HA       GLY  71   8.814  -2.428  -4.138
  738    QA   GLY  71           QA       GLY  71   8.378  -1.924  -3.561
  739    OH   TYR  72           OH       TYR  72  -0.516  -3.461  -8.689
  740    H    TYR  72           HN       TYR  72   6.811  -1.629  -5.381
  741    HA   TYR  72           HA       TYR  72   4.226  -2.605  -4.830
  742   1HB   TYR  72          2HB       TYR  72   4.688  -0.937  -6.610
  743   2HB   TYR  72          3HB       TYR  72   5.408  -2.205  -7.603
  744    HD1  TYR  72           HD2      TYR  72   2.315  -2.013  -5.469
  745    HD2  TYR  72           HD1      TYR  72   3.914  -2.827  -9.330
  746    HE1  TYR  72           HE2      TYR  72   0.086  -2.669  -6.269
  747    HE2  TYR  72           HE1      TYR  72   1.687  -3.466 -10.111
  748    HH   TYR  72           HH       TYR  72  -0.923  -4.041  -8.030
  749    QB   TYR  72           QB       TYR  72   5.048  -1.571  -7.106
  750    QR   TYR  72           QR       TYR  72   2.000  -2.744  -7.795
  751    H    THR  73           HN       THR  73   6.650  -4.244  -6.942
  752    HA   THR  73           HA       THR  73   5.171  -6.435  -7.788
  753    HB   THR  73           HB       THR  73   7.478  -7.728  -7.393
  754    HG1  THR  73          1HG       THR  73   8.589  -6.528  -5.997
  755   1HG2  THR  73          1HG2      THR  73   7.480  -5.065  -8.906
  756   2HG2  THR  73          2HG2      THR  73   8.561  -6.423  -9.202
  757   3HG2  THR  73          3HG2      THR  73   6.848  -6.566  -9.577
  758    QG2  THR  73           QG2      THR  73   7.630  -6.018  -9.228
  759    H    ASP  74           HN       ASP  74   7.029  -6.346  -4.827
  760    HA   ASP  74           HA       ASP  74   6.133  -8.760  -3.667
  761   1HB   ASP  74          2HB       ASP  74   6.697  -6.270  -2.033
  762   2HB   ASP  74          3HB       ASP  74   7.091  -7.948  -1.651
  763    QB   ASP  74           QB       ASP  74   6.894  -7.109  -1.842
  764    H    PHE  75           HN       PHE  75   5.000  -5.456  -2.994
  765    HA   PHE  75           HA       PHE  75   2.845  -6.036  -1.345
  766   1HB   PHE  75          2HB       PHE  75   3.463  -3.740  -1.866
  767   2HB   PHE  75          3HB       PHE  75   2.951  -3.953  -3.536
  768    HD1  PHE  75          2HD       PHE  75   1.601  -4.341  -0.062
  769    HD2  PHE  75          1HD       PHE  75   0.745  -3.358  -4.111
  770    HE1  PHE  75          2HE       PHE  75  -0.712  -3.824   0.560
  771    HE2  PHE  75          1HE       PHE  75  -1.573  -2.827  -3.493
  772    HZ   PHE  75           HZ       PHE  75  -2.311  -3.079  -1.160
  773    QB   PHE  75           QB       PHE  75   3.207  -3.846  -2.701
  774    QR   PHE  75           QR       PHE  75   0.015  -3.588  -1.777
  775    H    ALA  76           HN       ALA  76   2.682  -5.935  -4.895
  776    HA   ALA  76           HA       ALA  76  -0.060  -6.599  -5.136
  777   1HB   ALA  76          1HB       ALA  76   1.324  -5.941  -7.081
  778   2HB   ALA  76          2HB       ALA  76   2.215  -7.454  -6.965
  779   3HB   ALA  76          3HB       ALA  76   0.505  -7.469  -7.390
  780    QB   ALA  76           QB       ALA  76   1.348  -6.955  -7.146
  781    H    ALA  77           HN       ALA  77   2.751  -8.769  -5.232
  782    HA   ALA  77           HA       ALA  77   1.315 -11.224  -5.243
  783   1HB   ALA  77          2HB       ALA  77   3.991 -10.598  -3.926
  784   2HB   ALA  77          3HB       ALA  77   3.388 -12.215  -4.288
  785   3HB   ALA  77          1HB       ALA  77   3.760 -11.099  -5.597
  786    QB   ALA  77           QB       ALA  77   3.713 -11.304  -4.604
  787    CH2  TRP  78           CH2      TRP  78  -1.280  -6.665   3.304
  788    H    TRP  78           HN       TRP  78   2.736  -9.557  -2.453
  789    HA   TRP  78           HA       TRP  78   1.844 -11.141  -0.355
  790   1HB   TRP  78          2HB       TRP  78   3.199  -9.169   0.041
  791   2HB   TRP  78          3HB       TRP  78   1.918  -8.134  -0.519
  792    HD1  TRP  78           HD1      TRP  78   2.736 -10.417   2.542
  793    HE1  TRP  78           HE1      TRP  78   1.342  -9.684   4.486
  794    HE3  TRP  78           HE3      TRP  78   0.024  -7.008   0.182
  795    HZ2  TRP  78           HZ2      TRP  78  -0.660  -7.746   5.042
  796    HZ3  TRP  78           HZ3      TRP  78  -1.701  -5.731   1.428
  797    HH2  TRP  78           HH2      TRP  78  -2.015  -6.080   3.838
  798    QB   TRP  78           QB       TRP  78   2.558  -8.651  -0.239
  799    H    VAL  79           HN       VAL  79   0.061  -8.441  -1.806
  800    HA   VAL  79           HA       VAL  79  -2.361  -8.793  -0.386
  801    HB   VAL  79           HB       VAL  79  -1.863  -7.839  -3.240
  802   1HG1  VAL  79          1HG1      VAL  79  -4.411  -7.729  -1.593
  803   2HG1  VAL  79          2HG1      VAL  79  -4.167  -6.862  -3.102
  804   3HG1  VAL  79          3HG1      VAL  79  -4.180  -8.617  -3.091
  805   1HG2  VAL  79          1HG2      VAL  79  -2.449  -6.314  -0.684
  806   2HG2  VAL  79          2HG2      VAL  79  -0.903  -6.373  -1.519
  807   3HG2  VAL  79          3HG2      VAL  79  -2.278  -5.597  -2.282
  808    QG1  VAL  79           QG1      VAL  79  -4.253  -7.736  -2.595
  809    QG2  VAL  79           QG2      VAL  79  -1.877  -6.095  -1.495
  810    QQG  VAL  79           QQG      VAL  79  -3.065  -6.916  -2.045
  811    H    LYS  80           HN       LYS  80  -1.551  -9.944  -3.637
  812    HA   LYS  80           HA       LYS  80  -3.851 -11.348  -4.224
  813   1HB   LYS  80          2HB       LYS  80  -1.518 -11.009  -5.511
  814   2HB   LYS  80          3HB       LYS  80  -1.309 -12.684  -5.030
  815   1HG   LYS  80          2HG       LYS  80  -4.022 -12.246  -6.028
  816   2HG   LYS  80          3HG       LYS  80  -2.852 -11.669  -7.194
  817   1HD   LYS  80          2HD       LYS  80  -3.322 -13.981  -7.701
  818   2HD   LYS  80          3HD       LYS  80  -1.681 -13.868  -7.089
  819   1HE   LYS  80          2HE       LYS  80  -2.896 -15.798  -6.109
  820   2HE   LYS  80          3HE       LYS  80  -2.414 -14.649  -4.881
  821   1HZ   LYS  80          1HZ       LYS  80  -4.940 -13.861  -5.668
  822   2HZ   LYS  80          2HZ       LYS  80  -4.995 -15.567  -5.524
  823   3HZ   LYS  80          3HZ       LYS  80  -4.481 -14.626  -4.223
  824    QB   LYS  80           QB       LYS  80  -1.414 -11.847  -5.270
  825    QG   LYS  80           QG       LYS  80  -3.437 -11.957  -6.611
  826    QD   LYS  80           QD       LYS  80  -2.501 -13.925  -7.395
  827    QE   LYS  80           QE       LYS  80  -2.655 -15.223  -5.495
  828    QZ   LYS  80           QZ       LYS  80  -4.805 -14.685  -5.138
  829    H    GLU  81           HN       GLU  81  -0.995 -12.913  -2.673
  830    HA   GLU  81           HA       GLU  81  -2.831 -15.202  -2.203
  831   1HB   GLU  81          2HB       GLU  81   0.160 -14.914  -1.716
  832   2HB   GLU  81          3HB       GLU  81  -0.742 -16.370  -1.342
  833   1HG   GLU  81          2HG       GLU  81   0.109 -16.829  -3.492
  834   2HG   GLU  81          3HG       GLU  81  -1.520 -16.284  -3.839
  835    QB   GLU  81           QB       GLU  81  -0.291 -15.642  -1.529
  836    QG   GLU  81           QG       GLU  81  -0.705 -16.557  -3.665
  837    H    ASN  82           HN       ASN  82  -3.128 -12.723  -0.546
  838    HA   ASN  82           HA       ASN  82  -3.100 -14.178   2.064
  839   1HB   ASN  82          2HB       ASN  82  -1.879 -11.465   1.563
  840   2HB   ASN  82          3HB       ASN  82  -2.519 -11.881   3.145
  841   1HD2  ASN  82          2HD2      ASN  82   0.992 -13.454   1.938
  842   2HD2  ASN  82          1HD2      ASN  82   0.088 -12.434   0.921
  843    QB   ASN  82           QB       ASN  82  -2.199 -11.673   2.354
  844    QD2  ASN  82           QD2      ASN  82   0.540 -12.944   1.430
  845    H    LEU  83           HN       LEU  83  -4.272 -11.509   0.145
  846    HA   LEU  83           HA       LEU  83  -6.661 -11.321   1.936
  847   1HB   LEU  83          2HB       LEU  83  -5.852  -9.299  -0.160
  848   2HB   LEU  83          3HB       LEU  83  -6.873  -9.057   1.253
  849    HG   LEU  83           HG       LEU  83  -3.886  -9.680   1.346
  850   1HD1  LEU  83          2HD1      LEU  83  -4.373  -7.420   0.482
  851   2HD1  LEU  83          3HD1      LEU  83  -5.382  -7.101   1.889
  852   3HD1  LEU  83          1HD1      LEU  83  -3.650  -7.351   2.085
  853   1HD2  LEU  83          2HD2      LEU  83  -5.839  -8.905   3.553
  854   2HD2  LEU  83          3HD2      LEU  83  -5.137 -10.501   3.340
  855   3HD2  LEU  83          1HD2      LEU  83  -4.110  -9.139   3.754
  856    QB   LEU  83           QB       LEU  83  -6.362  -9.178   0.547
  857    QD1  LEU  83           QD1      LEU  83  -4.469  -7.291   1.485
  858    QD2  LEU  83           QD2      LEU  83  -5.029  -9.515   3.549
  859    QQD  LEU  83           QQD      LEU  83  -4.749  -8.403   2.517
  860    H    ASP  84           HN       ASP  84  -5.595 -11.943  -1.300
  861    HA   ASP  84           HA       ASP  84  -8.316 -11.894  -2.432
  862   1HB   ASP  84          2HB       ASP  84  -5.646 -11.718  -3.447
  863   2HB   ASP  84          3HB       ASP  84  -6.361 -13.135  -4.164
  864    QB   ASP  84           QB       ASP  84  -6.004 -12.426  -3.806
  865    H    ALA  85           HN       ALA  85  -5.756 -14.146  -2.651
  866    HA   ALA  85           HA       ALA  85  -6.032 -16.462  -1.580
  867   1HB   ALA  85          3HB       ALA  85  -8.423 -16.437  -3.477
  868   2HB   ALA  85          1HB       ALA  85  -7.819 -17.857  -2.637
  869   3HB   ALA  85          2HB       ALA  85  -8.518 -16.528  -1.720
  870    QB   ALA  85           QB       ALA  85  -8.254 -16.941  -2.611
   
  Start of MODEL          14
 Raw file had 870 H/Q atoms
  Start of MODEL   14
    1    H    MET   1           HN       MET   1  -6.783  -5.298   7.509
    2    HA   MET   1           HA       MET   1  -5.401  -4.344   9.682
    3   1HB   MET   1          2HB       MET   1  -3.002  -4.575   8.677
    4   2HB   MET   1          3HB       MET   1  -3.651  -5.903   9.620
    5   1HG   MET   1          2HG       MET   1  -2.530  -6.238   7.209
    6   2HG   MET   1          3HG       MET   1  -3.766  -7.294   7.829
    7   1HE   MET   1          1HE       MET   1  -2.949  -4.220   6.114
    8   2HE   MET   1          2HE       MET   1  -3.042  -4.905   4.495
    9   3HE   MET   1          3HE       MET   1  -4.295  -3.800   5.065
   10    QB   MET   1           QB       MET   1  -3.327  -5.239   9.149
   11    QG   MET   1           QG       MET   1  -3.148  -6.766   7.519
   12    QE   MET   1           QE       MET   1  -3.429  -4.308   5.225
   13    H    GLN   2           HN       GLN   2  -3.739  -2.628   8.885
   14    HA   GLN   2           HA       GLN   2  -5.093  -1.117   6.766
   15   1HB   GLN   2          2HB       GLN   2  -3.268  -0.497   9.082
   16   2HB   GLN   2          3HB       GLN   2  -3.587   0.697   7.844
   17   1HG   GLN   2          2HG       GLN   2  -5.105   0.488  10.052
   18   2HG   GLN   2          3HG       GLN   2  -5.752   1.044   8.524
   19   1HE2  GLN   2          2HE2      GLN   2  -6.934  -2.606   9.979
   20   2HE2  GLN   2          1HE2      GLN   2  -5.594  -1.816  10.685
   21    QB   GLN   2           QB       GLN   2  -3.427   0.100   8.463
   22    QG   GLN   2           QG       GLN   2  -5.429   0.766   9.288
   23    QE2  GLN   2           QE2      GLN   2  -6.264  -2.211  10.332
   24    H    THR   3           HN       THR   3  -3.751   0.142   5.230
   25    HA   THR   3           HA       THR   3  -1.092  -1.117   4.641
   26    HB   THR   3           HB       THR   3  -3.164  -0.159   2.598
   27    HG1  THR   3          1HG       THR   3  -3.777  -2.166   2.694
   28   1HG2  THR   3          2HG2      THR   3  -0.551  -1.709   2.244
   29   2HG2  THR   3          3HG2      THR   3  -1.661  -1.243   0.958
   30   3HG2  THR   3          1HG2      THR   3  -0.741  -0.012   1.817
   31    QG2  THR   3           QG2      THR   3  -0.984  -0.988   1.673
   32    H    VAL   4           HN       VAL   4   0.533   0.279   3.893
   33    HA   VAL   4           HA       VAL   4  -0.124   3.197   3.805
   34    HB   VAL   4           HB       VAL   4   2.427   2.193   5.065
   35   1HG1  VAL   4          2HG1      VAL   4   0.849   4.779   5.308
   36   2HG1  VAL   4          3HG1      VAL   4   2.354   4.434   6.151
   37   3HG1  VAL   4          1HG1      VAL   4   2.340   4.548   4.396
   38   1HG2  VAL   4          3HG2      VAL   4  -0.178   2.699   6.544
   39   2HG2  VAL   4          1HG2      VAL   4   0.644   1.150   6.396
   40   3HG2  VAL   4          2HG2      VAL   4   1.388   2.455   7.311
   41    QG1  VAL   4           QG1      VAL   4   1.848   4.587   5.285
   42    QG2  VAL   4           QG2      VAL   4   0.618   2.101   6.750
   43    QQG  VAL   4           QQG      VAL   4   1.233   3.344   6.018
   44    H    ILE   5           HN       ILE   5   0.777   4.156   2.045
   45    HA   ILE   5           HA       ILE   5   2.947   2.674   0.605
   46    HB   ILE   5           HB       ILE   5   0.732   4.476  -0.464
   47   1HG1  ILE   5          2HG1      ILE   5   0.379   2.383  -1.955
   48   2HG1  ILE   5          3HG1      ILE   5   1.365   1.533  -0.775
   49   1HG2  ILE   5          3HG2      ILE   5   3.093   3.246  -1.947
   50   2HG2  ILE   5          1HG2      ILE   5   1.741   4.080  -2.709
   51   3HG2  ILE   5          2HG2      ILE   5   2.837   4.968  -1.659
   52   1HD1  ILE   5          1HD1      ILE   5  -1.180   3.062  -0.119
   53   2HD1  ILE   5          2HD1      ILE   5  -1.074   1.316  -0.293
   54   3HD1  ILE   5          3HD1      ILE   5  -0.227   2.124   1.019
   55    QG1  ILE   5           QG1      ILE   5   0.872   1.958  -1.365
   56    QG2  ILE   5           QG2      ILE   5   2.557   4.098  -2.105
   57    QD1  ILE   5           QD1      ILE   5  -0.827   2.168   0.202
   58    H    PHE   6           HN       PHE   6   4.880   3.712   0.608
   59    HA   PHE   6           HA       PHE   6   4.884   6.690   1.024
   60   1HB   PHE   6          2HB       PHE   6   6.910   4.587   1.878
   61   2HB   PHE   6          3HB       PHE   6   7.312   6.280   1.757
   62    HD1  PHE   6          1HD       PHE   6   5.732   7.949   3.066
   63    HD2  PHE   6          2HD       PHE   6   6.074   3.796   3.954
   64    HE1  PHE   6          1HE       PHE   6   5.122   8.391   5.404
   65    HE2  PHE   6          2HE       PHE   6   5.463   4.240   6.288
   66    HZ   PHE   6           HZ       PHE   6   4.974   6.538   7.016
   67    QB   PHE   6           QB       PHE   6   7.111   5.434   1.818
   68    QR   PHE   6           QR       PHE   6   5.598   6.094   4.678
   69    H    GLY   7           HN       GLY   7   5.277   7.587  -0.933
   70   1HA   GLY   7          1HA       GLY   7   7.643   7.350  -2.384
   71   2HA   GLY   7          2HA       GLY   7   6.635   6.041  -3.009
   72    QA   GLY   7           QA       GLY   7   7.139   6.695  -2.696
   73    NH1  ARG   8           NH1      ARG   8   6.781  13.471  -6.015
   74    NH2  ARG   8           NH2      ARG   8   7.762  14.215  -7.951
   75    H    ARG   8           HN       ARG   8   6.855   7.483  -5.054
   76    HA   ARG   8           HA       ARG   8   4.626   9.474  -4.867
   77   1HB   ARG   8          2HB       ARG   8   5.759  11.006  -6.316
   78   2HB   ARG   8          3HB       ARG   8   6.815  10.635  -4.962
   79   1HG   ARG   8          2HG       ARG   8   8.165   9.157  -6.323
   80   2HG   ARG   8          3HG       ARG   8   7.013   9.232  -7.647
   81   1HD   ARG   8          2HD       ARG   8   8.836  11.439  -6.639
   82   2HD   ARG   8          3HD       ARG   8   8.738  10.762  -8.265
   83    HE   ARG   8           HE       ARG   8   6.403  11.840  -8.388
   84   1HH1  ARG   8          2HH1      ARG   8   6.324  12.721  -5.509
   85   2HH1  ARG   8          1HH1      ARG   8   6.880  14.360  -5.567
   86   1HH2  ARG   8          2HH2      ARG   8   8.099  14.012  -8.872
   87   2HH2  ARG   8          1HH2      ARG   8   7.842  15.142  -7.587
   88    QB   ARG   8           QB       ARG   8   6.287  10.820  -5.639
   89    QG   ARG   8           QG       ARG   8   7.589   9.194  -6.985
   90    QD   ARG   8           QD       ARG   8   8.787  11.101  -7.452
   91    QH1  ARG   8           QH1      ARG   8   6.602  13.540  -5.538
   92    QH2  ARG   8           QH2      ARG   8   7.970  14.577  -8.230
   93    H    SER   9           HN       SER   9   3.887  10.166  -7.049
   94    HA   SER   9           HA       SER   9   3.631   7.786  -8.832
   95   1HB   SER   9          2HB       SER   9   1.286   9.184  -9.228
   96   2HB   SER   9          3HB       SER   9   1.454   7.882  -8.037
   97    HG   SER   9           HG       SER   9   1.738   9.321  -6.447
   98    QB   SER   9           QB       SER   9   1.370   8.533  -8.632
   99    H    GLY  10           HN       GLY  10   2.560   8.666 -10.992
  100   1HA   GLY  10          1HA       GLY  10   2.620  10.705 -12.515
  101   2HA   GLY  10          2HA       GLY  10   4.276  10.933 -11.945
  102    QA   GLY  10           QA       GLY  10   3.448  10.819 -12.230
  103    H    CYS  11           HN       CYS  11   5.241   8.445 -11.906
  104    HA   CYS  11           HA       CYS  11   4.961   7.371 -14.678
  105   1HB   CYS  11          2HB       CYS  11   7.015   8.765 -14.423
  106   2HB   CYS  11          3HB       CYS  11   7.519   7.758 -13.093
  107    HG   CYS  11           HG       CYS  11   8.457   6.114 -14.663
  108    QB   CYS  11           QB       CYS  11   7.267   8.262 -13.758
  109    HA   PRO  12           HA       PRO  12   2.619   5.420 -12.451
  110   1HB   PRO  12          2HB       PRO  12   3.160   2.581 -12.461
  111   2HB   PRO  12          3HB       PRO  12   1.925   3.464 -13.361
  112   1HG   PRO  12          2HG       PRO  12   4.586   2.508 -14.292
  113   2HG   PRO  12          3HG       PRO  12   3.153   2.912 -15.241
  114   1HD   PRO  12          2HD       PRO  12   5.387   4.521 -15.185
  115   2HD   PRO  12          3HD       PRO  12   3.749   5.174 -15.417
  116    QB   PRO  12           QB       PRO  12   2.543   3.022 -12.911
  117    QG   PRO  12           QG       PRO  12   3.870   2.710 -14.767
  118    QD   PRO  12           QD       PRO  12   4.568   4.847 -15.301
  119    OH   TYR  13           OH       TYR  13  11.499   5.599 -11.487
  120    H    TYR  13           HN       TYR  13   5.424   3.380 -11.768
  121    HA   TYR  13           HA       TYR  13   6.445   2.685  -9.811
  122   1HB   TYR  13          2HB       TYR  13   5.780   5.579  -9.297
  123   2HB   TYR  13          3HB       TYR  13   6.552   4.631  -8.041
  124    HD1  TYR  13           HD1      TYR  13   8.378   2.871  -9.701
  125    HD2  TYR  13           HD2      TYR  13   7.481   7.025 -10.018
  126    HE1  TYR  13           HE1      TYR  13  10.567   3.275 -10.705
  127    HE2  TYR  13           HE2      TYR  13   9.686   7.416 -11.008
  128    HH   TYR  13           HH       TYR  13  11.550   5.084 -12.293
  129    QB   TYR  13           QB       TYR  13   6.166   5.105  -8.669
  130    QR   TYR  13           QR       TYR  13   9.028   5.147 -10.358
  131    H    CYS  14           HN       CYS  14   3.876   4.683  -8.415
  132    HA   CYS  14           HA       CYS  14   3.113   2.310  -6.758
  133   1HB   CYS  14          2HB       CYS  14   2.552   5.191  -6.063
  134   2HB   CYS  14          3HB       CYS  14   2.445   3.797  -5.022
  135    HG   CYS  14           HG       CYS  14   5.027   5.326  -5.699
  136    QB   CYS  14           QB       CYS  14   2.498   4.494  -5.542
  137    H    VAL  15           HN       VAL  15   2.040   4.260  -9.280
  138    HA   VAL  15           HA       VAL  15  -0.633   4.798  -8.886
  139    HB   VAL  15           HB       VAL  15   0.753   3.575 -11.284
  140   1HG1  VAL  15          2HG1      VAL  15  -2.123   4.555 -11.092
  141   2HG1  VAL  15          3HG1      VAL  15  -1.294   4.151 -12.590
  142   3HG1  VAL  15          1HG1      VAL  15  -1.622   2.897 -11.406
  143   1HG2  VAL  15          2HG2      VAL  15   1.335   5.901 -10.620
  144   2HG2  VAL  15          3HG2      VAL  15   0.494   5.875 -12.164
  145   3HG2  VAL  15          1HG2      VAL  15  -0.365   6.344 -10.701
  146    QG1  VAL  15           QG1      VAL  15  -1.680   3.868 -11.696
  147    QG2  VAL  15           QG2      VAL  15   0.488   6.040 -11.162
  148    QQG  VAL  15           QQG      VAL  15  -0.596   4.954 -11.429
  149    NH1  ARG  16           NH1      ARG  16  -5.325  -0.847 -11.350
  150    NH2  ARG  16           NH2      ARG  16  -5.602  -2.352  -9.683
  151    H    ARG  16           HN       ARG  16   0.498   1.595 -10.026
  152    HA   ARG  16           HA       ARG  16  -2.094   0.460  -9.810
  153   1HB   ARG  16          2HB       ARG  16   0.425  -0.501 -10.633
  154   2HB   ARG  16          3HB       ARG  16  -0.038  -1.548  -9.298
  155   1HG   ARG  16          2HG       ARG  16  -1.802  -0.876 -11.696
  156   2HG   ARG  16          3HG       ARG  16  -0.943  -2.395 -11.468
  157   1HD   ARG  16          2HD       ARG  16  -2.281  -2.984  -9.574
  158   2HD   ARG  16          3HD       ARG  16  -2.883  -1.348  -9.389
  159    HE   ARG  16           HE       ARG  16  -3.691  -3.018 -11.736
  160   1HH1  ARG  16          1HH1      ARG  16  -4.775  -0.495 -12.103
  161   2HH1  ARG  16          2HH1      ARG  16  -6.200  -0.395 -11.116
  162   1HH2  ARG  16          2HH2      ARG  16  -5.273  -3.147  -9.180
  163   2HH2  ARG  16          1HH2      ARG  16  -6.463  -1.907  -9.415
  164    QB   ARG  16           QB       ARG  16   0.193  -1.024  -9.966
  165    QG   ARG  16           QG       ARG  16  -1.372  -1.635 -11.582
  166    QD   ARG  16           QD       ARG  16  -2.582  -2.166  -9.482
  167    QH1  ARG  16           QH1      ARG  16  -5.488  -0.445 -11.610
  168    QH2  ARG  16           QH2      ARG  16  -5.868  -2.527  -9.298
  169    H    ALA  17           HN       ALA  17   0.456   0.865  -7.402
  170    HA   ALA  17           HA       ALA  17  -0.729  -0.846  -5.414
  171   1HB   ALA  17          2HB       ALA  17   1.569   0.107  -5.182
  172   2HB   ALA  17          3HB       ALA  17   0.872   1.708  -4.982
  173   3HB   ALA  17          1HB       ALA  17   0.574   0.462  -3.773
  174    QB   ALA  17           QB       ALA  17   1.005   0.759  -4.646
  175    H    LYS  18           HN       LYS  18  -0.976   2.640  -5.992
  176    HA   LYS  18           HA       LYS  18  -2.911   3.278  -4.041
  177   1HB   LYS  18          2HB       LYS  18  -1.871   5.069  -5.251
  178   2HB   LYS  18          3HB       LYS  18  -2.384   4.418  -6.797
  179   1HG   LYS  18          2HG       LYS  18  -3.788   6.317  -6.293
  180   2HG   LYS  18          3HG       LYS  18  -4.775   4.878  -6.151
  181   1HD   LYS  18          2HD       LYS  18  -4.146   4.969  -3.609
  182   2HD   LYS  18          3HD       LYS  18  -3.645   6.621  -3.947
  183   1HE   LYS  18          2HE       LYS  18  -5.936   6.787  -3.281
  184   2HE   LYS  18          3HE       LYS  18  -5.953   6.943  -5.033
  185   1HZ   LYS  18          3HZ       LYS  18  -6.118   4.204  -4.398
  186   2HZ   LYS  18          1HZ       LYS  18  -7.260   5.061  -3.449
  187   3HZ   LYS  18          2HZ       LYS  18  -7.302   5.195  -5.133
  188    QB   LYS  18           QB       LYS  18  -2.127   4.744  -6.024
  189    QG   LYS  18           QG       LYS  18  -4.282   5.598  -6.222
  190    QD   LYS  18           QD       LYS  18  -3.896   5.795  -3.778
  191    QE   LYS  18           QE       LYS  18  -5.944   6.865  -4.157
  192    QZ   LYS  18           QZ       LYS  18  -6.893   4.820  -4.327
  193    H    ASP  19           HN       ASP  19  -3.534   2.353  -7.414
  194    HA   ASP  19           HA       ASP  19  -6.409   2.309  -7.180
  195   1HB   ASP  19          2HB       ASP  19  -5.229   2.470  -9.327
  196   2HB   ASP  19          3HB       ASP  19  -4.536   0.879  -9.093
  197    QB   ASP  19           QB       ASP  19  -4.882   1.674  -9.210
  198    H    LEU  20           HN       LEU  20  -4.067  -0.335  -7.214
  199    HA   LEU  20           HA       LEU  20  -5.764  -2.511  -6.737
  200   1HB   LEU  20          2HB       LEU  20  -3.262  -2.560  -7.206
  201   2HB   LEU  20          3HB       LEU  20  -2.982  -2.119  -5.535
  202    HG   LEU  20           HG       LEU  20  -4.337  -4.183  -4.885
  203   1HD1  LEU  20          1HD1      LEU  20  -3.928  -4.806  -7.836
  204   2HD1  LEU  20          2HD1      LEU  20  -4.542  -5.930  -6.634
  205   3HD1  LEU  20          3HD1      LEU  20  -5.480  -4.507  -7.059
  206   1HD2  LEU  20          2HD2      LEU  20  -1.778  -4.526  -6.490
  207   2HD2  LEU  20          3HD2      LEU  20  -1.880  -4.136  -4.773
  208   3HD2  LEU  20          1HD2      LEU  20  -2.412  -5.712  -5.348
  209    QB   LEU  20           QB       LEU  20  -3.122  -2.339  -6.370
  210    QD1  LEU  20           QD1      LEU  20  -4.650  -5.081  -7.176
  211    QD2  LEU  20           QD2      LEU  20  -2.023  -4.791  -5.537
  212    QQD  LEU  20           QQD      LEU  20  -3.336  -4.936  -6.357
  213    H    ALA  21           HN       ALA  21  -4.050  -0.502  -4.382
  214    HA   ALA  21           HA       ALA  21  -5.185  -1.624  -2.039
  215   1HB   ALA  21          3HB       ALA  21  -4.328   1.265  -2.497
  216   2HB   ALA  21          1HB       ALA  21  -4.605   0.521  -0.926
  217   3HB   ALA  21          2HB       ALA  21  -3.282  -0.034  -1.943
  218    QB   ALA  21           QB       ALA  21  -4.072   0.584  -1.788
  219    H    GLU  22           HN       GLU  22  -6.214   1.156  -3.985
  220    HA   GLU  22           HA       GLU  22  -8.504   1.989  -2.629
  221   1HB   GLU  22          2HB       GLU  22  -7.586   2.932  -4.781
  222   2HB   GLU  22          3HB       GLU  22  -8.288   1.585  -5.640
  223   1HG   GLU  22          2HG       GLU  22  -9.942   3.192  -5.892
  224   2HG   GLU  22          3HG       GLU  22 -10.515   2.338  -4.467
  225    QB   GLU  22           QB       GLU  22  -7.937   2.259  -5.211
  226    QG   GLU  22           QG       GLU  22 -10.229   2.765  -5.180
  227    H    LYS  23           HN       LYS  23  -8.508  -0.315  -5.263
  228    HA   LYS  23           HA       LYS  23 -11.143  -1.226  -5.218
  229   1HB   LYS  23          2HB       LYS  23  -8.922  -1.813  -6.657
  230   2HB   LYS  23          3HB       LYS  23  -8.950  -3.249  -5.659
  231   1HG   LYS  23          2HG       LYS  23 -11.399  -2.347  -7.204
  232   2HG   LYS  23          3HG       LYS  23 -10.155  -3.334  -7.951
  233   1HD   LYS  23          2HD       LYS  23 -11.435  -5.062  -7.178
  234   2HD   LYS  23          3HD       LYS  23 -10.551  -4.779  -5.683
  235   1HE   LYS  23          2HE       LYS  23 -12.529  -2.990  -5.306
  236   2HE   LYS  23          3HE       LYS  23 -13.374  -4.073  -6.394
  237   1HZ   LYS  23          2HZ       LYS  23 -12.112  -5.717  -4.546
  238   2HZ   LYS  23          3HZ       LYS  23 -12.737  -4.413  -3.656
  239   3HZ   LYS  23          1HZ       LYS  23 -13.770  -5.354  -4.633
  240    QB   LYS  23           QB       LYS  23  -8.936  -2.531  -6.158
  241    QG   LYS  23           QG       LYS  23 -10.777  -2.841  -7.577
  242    QD   LYS  23           QD       LYS  23 -10.993  -4.921  -6.431
  243    QE   LYS  23           QE       LYS  23 -12.951  -3.531  -5.850
  244    QZ   LYS  23           QZ       LYS  23 -12.873  -5.161  -4.278
  245    H    LEU  24           HN       LEU  24  -8.412  -2.624  -3.461
  246    HA   LEU  24           HA       LEU  24  -9.905  -4.611  -2.022
  247   1HB   LEU  24          2HB       LEU  24  -7.249  -3.247  -1.540
  248   2HB   LEU  24          3HB       LEU  24  -7.825  -4.581  -0.549
  249    HG   LEU  24           HG       LEU  24  -7.825  -4.862  -3.560
  250   1HD1  LEU  24          2HD1      LEU  24  -5.436  -5.352  -1.752
  251   2HD1  LEU  24          3HD1      LEU  24  -5.534  -5.789  -3.450
  252   3HD1  LEU  24          1HD1      LEU  24  -5.539  -4.096  -2.968
  253   1HD2  LEU  24          3HD2      LEU  24  -7.436  -6.802  -1.251
  254   2HD2  LEU  24          1HD2      LEU  24  -8.936  -6.566  -2.144
  255   3HD2  LEU  24          2HD2      LEU  24  -7.529  -7.241  -2.953
  256    QB   LEU  24           QB       LEU  24  -7.537  -3.914  -1.045
  257    QD1  LEU  24           QD1      LEU  24  -5.503  -5.079  -2.723
  258    QD2  LEU  24           QD2      LEU  24  -7.967  -6.870  -2.116
  259    QQD  LEU  24           QQD      LEU  24  -6.735  -5.974  -2.419
  260    H    SER  25           HN       SER  25  -8.970  -1.289  -1.259
  261    HA   SER  25           HA       SER  25  -9.839  -1.201   1.437
  262   1HB   SER  25          2HB       SER  25  -8.623   0.590  -0.218
  263   2HB   SER  25          3HB       SER  25 -10.264   1.249  -0.236
  264    HG   SER  25           HG       SER  25  -9.258   0.383   2.235
  265    QB   SER  25           QB       SER  25  -9.443   0.920  -0.227
  266    H    ASN  26           HN       ASN  26 -11.512  -0.624  -1.568
  267    HA   ASN  26           HA       ASN  26 -14.095  -0.230  -0.191
  268   1HB   ASN  26          2HB       ASN  26 -13.417   1.020  -2.333
  269   2HB   ASN  26          3HB       ASN  26 -13.564  -0.516  -3.174
  270   1HD2  ASN  26          2HD2      ASN  26 -17.065  -0.249  -3.432
  271   2HD2  ASN  26          1HD2      ASN  26 -15.645  -1.026  -3.938
  272    QB   ASN  26           QB       ASN  26 -13.491   0.252  -2.754
  273    QD2  ASN  26           QD2      ASN  26 -16.355  -0.638  -3.685
  274    H    GLU  27           HN       GLU  27 -12.566  -2.731   0.005
  275    HA   GLU  27           HA       GLU  27 -14.599  -4.638  -1.120
  276   1HB   GLU  27          2HB       GLU  27 -12.124  -4.751  -1.957
  277   2HB   GLU  27          3HB       GLU  27 -11.755  -5.392  -0.373
  278   1HG   GLU  27          2HG       GLU  27 -13.256  -7.272  -0.697
  279   2HG   GLU  27          3HG       GLU  27 -13.825  -6.615  -2.226
  280    QB   GLU  27           QB       GLU  27 -11.939  -5.071  -1.165
  281    QG   GLU  27           QG       GLU  27 -13.540  -6.944  -1.462
  282    NH1  ARG  28           NH1      ARG  28 -10.541 -10.633   1.958
  283    NH2  ARG  28           NH2      ARG  28 -10.372 -10.530  -0.301
  284    H    ARG  28           HN       ARG  28 -12.153  -4.392   1.437
  285    HA   ARG  28           HA       ARG  28 -14.145  -5.631   3.313
  286   1HB   ARG  28          2HB       ARG  28 -11.105  -5.813   3.356
  287   2HB   ARG  28          3HB       ARG  28 -12.173  -6.525   4.561
  288   1HG   ARG  28          2HG       ARG  28 -12.625  -8.310   3.225
  289   2HG   ARG  28          3HG       ARG  28 -13.023  -7.279   1.860
  290   1HD   ARG  28          2HD       ARG  28 -10.489  -6.984   1.521
  291   2HD   ARG  28          3HD       ARG  28 -10.284  -8.307   2.662
  292    HE   ARG  28           HE       ARG  28 -11.762  -8.544   0.050
  293   1HH1  ARG  28          2HH1      ARG  28 -10.854 -10.223   2.801
  294   2HH1  ARG  28          1HH1      ARG  28 -10.087 -11.533   1.971
  295   1HH2  ARG  28          2HH2      ARG  28 -10.516 -10.003  -1.144
  296   2HH2  ARG  28          1HH2      ARG  28  -9.941 -11.449  -0.348
  297    QB   ARG  28           QB       ARG  28 -11.639  -6.169   3.959
  298    QG   ARG  28           QG       ARG  28 -12.824  -7.794   2.542
  299    QD   ARG  28           QD       ARG  28 -10.387  -7.646   2.092
  300    QH1  ARG  28           QH1      ARG  28 -10.470 -10.878   2.386
  301    QH2  ARG  28           QH2      ARG  28 -10.229 -10.726  -0.746
  302    H    ASP  29           HN       ASP  29 -14.136  -4.783   5.481
  303    HA   ASP  29           HA       ASP  29 -13.754  -1.888   5.478
  304   1HB   ASP  29          2HB       ASP  29 -14.659  -2.066   7.815
  305   2HB   ASP  29          3HB       ASP  29 -15.704  -2.793   6.609
  306    QB   ASP  29           QB       ASP  29 -15.182  -2.430   7.212
  307    H    ASP  30           HN       ASP  30 -12.215  -4.674   6.925
  308    HA   ASP  30           HA       ASP  30 -10.328  -3.011   8.441
  309   1HB   ASP  30          2HB       ASP  30 -10.949  -5.063   9.484
  310   2HB   ASP  30          3HB       ASP  30 -10.682  -5.985   8.015
  311    QB   ASP  30           QB       ASP  30 -10.815  -5.524   8.749
  312    H    PHE  31           HN       PHE  31 -10.308  -2.422   5.696
  313    HA   PHE  31           HA       PHE  31  -7.436  -2.983   5.181
  314   1HB   PHE  31          2HB       PHE  31  -8.792  -4.607   3.758
  315   2HB   PHE  31          3HB       PHE  31  -9.452  -3.204   2.920
  316    HD1  PHE  31          2HD       PHE  31  -6.161  -4.695   3.955
  317    HD2  PHE  31          1HD       PHE  31  -8.196  -2.270   1.133
  318    HE1  PHE  31          2HE       PHE  31  -4.079  -4.435   2.669
  319    HE2  PHE  31          1HE       PHE  31  -6.140  -2.028  -0.163
  320    HZ   PHE  31           HZ       PHE  31  -4.072  -3.112   0.600
  321    QB   PHE  31           QB       PHE  31  -9.122  -3.906   3.339
  322    QR   PHE  31           QR       PHE  31  -6.144  -3.357   1.898
  323    H    GLN  32           HN       GLN  32  -7.580  -0.757   6.123
  324    HA   GLN  32           HA       GLN  32  -8.448   1.282   4.114
  325   1HB   GLN  32          2HB       GLN  32  -7.497   1.595   6.991
  326   2HB   GLN  32          3HB       GLN  32  -8.109   2.897   5.975
  327   1HG   GLN  32          2HG       GLN  32 -10.304   2.135   6.084
  328   2HG   GLN  32          3HG       GLN  32  -9.828   0.454   6.267
  329   1HE2  GLN  32          2HE2      GLN  32  -9.356   0.742   9.820
  330   2HE2  GLN  32          1HE2      GLN  32  -8.733  -0.058   8.455
  331    QB   GLN  32           QB       GLN  32  -7.803   2.246   6.483
  332    QG   GLN  32           QG       GLN  32 -10.066   1.295   6.175
  333    QE2  GLN  32           QE2      GLN  32  -9.045   0.342   9.137
  334    OH   TYR  33           OH       TYR  33  -7.813   5.318  -1.823
  335    H    TYR  33           HN       TYR  33  -6.934   2.561   3.042
  336    HA   TYR  33           HA       TYR  33  -4.071   1.929   3.644
  337   1HB   TYR  33          2HB       TYR  33  -3.580   2.145   1.291
  338   2HB   TYR  33          3HB       TYR  33  -4.927   1.030   1.482
  339    HD1  TYR  33           HD1      TYR  33  -7.243   1.779   0.941
  340    HD2  TYR  33           HD2      TYR  33  -3.920   4.337   0.243
  341    HE1  TYR  33           HE1      TYR  33  -8.629   3.172  -0.515
  342    HE2  TYR  33           HE2      TYR  33  -5.312   5.744  -1.199
  343    HH   TYR  33           HH       TYR  33  -8.713   4.945  -1.863
  344    QB   TYR  33           QB       TYR  33  -4.253   1.587   1.386
  345    QR   TYR  33           QR       TYR  33  -6.276   3.758  -0.133
  346    H    GLN  34           HN       GLN  34  -2.519   3.522   3.352
  347    HA   GLN  34           HA       GLN  34  -3.510   6.346   3.268
  348   1HB   GLN  34          2HB       GLN  34  -1.684   4.924   5.114
  349   2HB   GLN  34          3HB       GLN  34  -1.003   6.419   4.484
  350   1HG   GLN  34          2HG       GLN  34  -2.246   6.849   6.568
  351   2HG   GLN  34          3HG       GLN  34  -3.036   7.646   5.210
  352   1HE2  GLN  34          2HE2      GLN  34  -6.048   5.976   5.968
  353   2HE2  GLN  34          1HE2      GLN  34  -5.282   7.414   5.502
  354    QB   GLN  34           QB       GLN  34  -1.344   5.672   4.799
  355    QG   GLN  34           QG       GLN  34  -2.641   7.247   5.889
  356    QE2  GLN  34           QE2      GLN  34  -5.665   6.695   5.735
  357    OH   TYR  35           OH       TYR  35   2.249   8.370  -4.880
  358    H    TYR  35           HN       TYR  35  -2.632   7.565   1.659
  359    HA   TYR  35           HA       TYR  35  -0.205   6.464   0.282
  360   1HB   TYR  35          2HB       TYR  35  -2.215   6.290  -1.173
  361   2HB   TYR  35          3HB       TYR  35  -2.500   8.019  -0.977
  362    HD1  TYR  35           HD2      TYR  35  -0.241   5.486  -2.462
  363    HD2  TYR  35           HD1      TYR  35  -1.045   9.657  -2.072
  364    HE1  TYR  35           HE2      TYR  35   1.499   5.982  -4.117
  365    HE2  TYR  35           HE1      TYR  35   0.717  10.136  -3.710
  366    HH   TYR  35           HH       TYR  35   3.044   8.481  -4.333
  367    QB   TYR  35           QB       TYR  35  -2.357   7.154  -1.075
  368    QR   TYR  35           QR       TYR  35   0.232   7.815  -3.090
  369    H    VAL  36           HN       VAL  36   1.452   7.691   0.786
  370    HA   VAL  36           HA       VAL  36   1.059  10.629   0.964
  371    HB   VAL  36           HB       VAL  36   1.350   9.704   3.165
  372   1HG1  VAL  36          2HG1      VAL  36   3.866   8.537   1.984
  373   2HG1  VAL  36          3HG1      VAL  36   3.403   8.468   3.680
  374   3HG1  VAL  36          1HG1      VAL  36   2.429   7.641   2.475
  375   1HG2  VAL  36          3HG2      VAL  36   2.424  11.893   2.672
  376   2HG2  VAL  36          1HG2      VAL  36   3.338  10.970   3.861
  377   3HG2  VAL  36          2HG2      VAL  36   3.898  11.054   2.193
  378    QG1  VAL  36           QG1      VAL  36   3.233   8.215   2.713
  379    QG2  VAL  36           QG2      VAL  36   3.220  11.306   2.909
  380    QQG  VAL  36           QQG      VAL  36   3.226   9.760   2.811
  381    H    ASP  37           HN       ASP  37   2.666  11.916   0.066
  382    HA   ASP  37           HA       ASP  37   4.479  10.445  -1.780
  383   1HB   ASP  37          2HB       ASP  37   3.019  12.282  -2.737
  384   2HB   ASP  37          3HB       ASP  37   3.901  13.430  -1.733
  385    QB   ASP  37           QB       ASP  37   3.460  12.856  -2.235
  386    H    ILE  38           HN       ILE  38   6.642  10.656  -1.598
  387    HA   ILE  38           HA       ILE  38   7.818  11.005   0.900
  388    HB   ILE  38           HB       ILE  38   9.971  11.274  -0.460
  389   1HG1  ILE  38          2HG1      ILE  38   7.940  11.189  -2.739
  390   2HG1  ILE  38          3HG1      ILE  38   9.016  12.521  -2.355
  391   1HG2  ILE  38          2HG2      ILE  38   9.020   9.074   0.197
  392   2HG2  ILE  38          3HG2      ILE  38   8.017   9.073  -1.247
  393   3HG2  ILE  38          1HG2      ILE  38   9.766   8.976  -1.388
  394   1HD1  ILE  38          3HD1      ILE  38  10.977  11.050  -2.830
  395   2HD1  ILE  38          1HD1      ILE  38   9.870   9.749  -3.271
  396   3HD1  ILE  38          2HD1      ILE  38   9.922  11.221  -4.231
  397    QG1  ILE  38           QG1      ILE  38   8.478  11.855  -2.547
  398    QG2  ILE  38           QG2      ILE  38   8.934   9.041  -0.813
  399    QD1  ILE  38           QD1      ILE  38  10.256  10.673  -3.444
  400    NH1  ARG  39           NH1      ARG  39  10.782  14.081  -0.182
  401    NH2  ARG  39           NH2      ARG  39  12.586  14.459  -1.539
  402    H    ARG  39           HN       ARG  39   7.052  13.533  -1.412
  403    HA   ARG  39           HA       ARG  39   8.632  15.490   0.184
  404   1HB   ARG  39          2HB       ARG  39   8.319  15.267  -2.471
  405   2HB   ARG  39          3HB       ARG  39   6.930  16.280  -2.137
  406   1HG   ARG  39          2HG       ARG  39   8.845  17.700  -2.668
  407   2HG   ARG  39          3HG       ARG  39   8.405  17.917  -0.982
  408   1HD   ARG  39          2HD       ARG  39  10.934  17.603  -1.607
  409   2HD   ARG  39          3HD       ARG  39  10.302  16.768  -0.192
  410    HE   ARG  39           HE       ARG  39  10.342  15.300  -2.802
  411   1HH1  ARG  39          2HH1      ARG  39   9.823  14.270   0.032
  412   2HH1  ARG  39          1HH1      ARG  39  11.299  13.433   0.396
  413   1HH2  ARG  39          2HH2      ARG  39  12.980  14.942  -2.325
  414   2HH2  ARG  39          1HH2      ARG  39  13.151  13.818  -1.017
  415    QB   ARG  39           QB       ARG  39   7.624  15.774  -2.304
  416    QG   ARG  39           QG       ARG  39   8.625  17.808  -1.825
  417    QD   ARG  39           QD       ARG  39  10.618  17.186  -0.900
  418    QH1  ARG  39           QH1      ARG  39  10.561  13.851   0.214
  419    QH2  ARG  39           QH2      ARG  39  13.065  14.380  -1.671
  420    H    ALA  40           HN       ALA  40   6.025  14.162   1.029
  421    HA   ALA  40           HA       ALA  40   4.378  16.600   1.460
  422   1HB   ALA  40          2HB       ALA  40   3.814  13.673   2.080
  423   2HB   ALA  40          3HB       ALA  40   2.668  14.992   2.288
  424   3HB   ALA  40          1HB       ALA  40   3.222  14.552   0.676
  425    QB   ALA  40           QB       ALA  40   3.234  14.406   1.681
  426    H    GLU  41           HN       GLU  41   5.768  13.898   3.335
  427    HA   GLU  41           HA       GLU  41   5.444  15.510   5.826
  428   1HB   GLU  41          2HB       GLU  41   6.465  12.659   5.499
  429   2HB   GLU  41          3HB       GLU  41   6.008  13.432   7.010
  430   1HG   GLU  41          2HG       GLU  41   3.671  13.631   6.229
  431   2HG   GLU  41          3HG       GLU  41   4.110  12.936   4.675
  432    QB   GLU  41           QB       GLU  41   6.237  13.045   6.254
  433    QG   GLU  41           QG       GLU  41   3.891  13.284   5.452
  434    H    GLY  42           HN       GLY  42   7.775  14.784   3.476
  435   1HA   GLY  42          1HA       GLY  42   9.937  15.891   3.368
  436   2HA   GLY  42          2HA       GLY  42   9.886  16.092   5.121
  437    QA   GLY  42           QA       GLY  42   9.911  15.991   4.245
  438    H    ILE  43           HN       ILE  43   9.681  13.401   2.806
  439    HA   ILE  43           HA       ILE  43  11.276  11.745   4.687
  440    HB   ILE  43           HB       ILE  43   9.454  11.112   2.345
  441   1HG1  ILE  43          2HG1      ILE  43   9.203  10.265   5.240
  442   2HG1  ILE  43          3HG1      ILE  43   8.583  11.814   4.689
  443   1HG2  ILE  43          3HG2      ILE  43  11.003   9.175   4.106
  444   2HG2  ILE  43          1HG2      ILE  43   9.807   8.722   2.901
  445   3HG2  ILE  43          2HG2      ILE  43  11.320   9.462   2.402
  446   1HD1  ILE  43          3HD1      ILE  43   7.806   9.119   3.527
  447   2HD1  ILE  43          1HD1      ILE  43   6.830  10.054   4.645
  448   3HD1  ILE  43          2HD1      ILE  43   7.154  10.676   3.029
  449    QG1  ILE  43           QG1      ILE  43   8.893  11.040   4.965
  450    QG2  ILE  43           QG2      ILE  43  10.710   9.120   3.137
  451    QD1  ILE  43           QD1      ILE  43   7.263   9.950   3.734
  452    H    THR  44           HN       THR  44  13.187  10.861   4.148
  453    HA   THR  44           HA       THR  44  14.310  11.427   1.438
  454    HB   THR  44           HB       THR  44  16.564  11.564   2.643
  455    HG1  THR  44          1HG       THR  44  16.526  10.950   4.680
  456   1HG2  THR  44          3HG2      THR  44  14.451  13.398   3.879
  457   2HG2  THR  44          1HG2      THR  44  16.181  13.719   3.800
  458   3HG2  THR  44          2HG2      THR  44  15.220  13.701   2.325
  459    QG2  THR  44           QG2      THR  44  15.284  13.606   3.335
  460    H    LYS  45           HN       LYS  45  15.929   9.879   0.743
  461    HA   LYS  45           HA       LYS  45  15.237   7.197   0.741
  462   1HB   LYS  45          2HB       LYS  45  16.935   7.994  -0.756
  463   2HB   LYS  45          3HB       LYS  45  17.926   8.609   0.554
  464   1HG   LYS  45          2HG       LYS  45  18.629   6.412   1.198
  465   2HG   LYS  45          3HG       LYS  45  17.388   5.644   0.209
  466   1HD   LYS  45          2HD       LYS  45  18.792   5.626  -1.559
  467   2HD   LYS  45          3HD       LYS  45  18.887   7.376  -1.517
  468   1HE   LYS  45          2HE       LYS  45  20.675   5.404  -0.067
  469   2HE   LYS  45          3HE       LYS  45  21.130   6.504  -1.357
  470   1HZ   LYS  45          1HZ       LYS  45  19.982   7.958   0.816
  471   2HZ   LYS  45          2HZ       LYS  45  21.227   6.963   1.373
  472   3HZ   LYS  45          3HZ       LYS  45  21.538   8.076   0.131
  473    QB   LYS  45           QB       LYS  45  17.431   8.301  -0.101
  474    QG   LYS  45           QG       LYS  45  18.009   6.028   0.704
  475    QD   LYS  45           QD       LYS  45  18.839   6.501  -1.538
  476    QE   LYS  45           QE       LYS  45  20.903   5.954  -0.712
  477    QZ   LYS  45           QZ       LYS  45  20.916   7.666   0.773
  478    H    GLU  46           HN       GLU  46  17.768   8.558   2.846
  479    HA   GLU  46           HA       GLU  46  18.306   6.414   4.483
  480   1HB   GLU  46          2HB       GLU  46  18.074   9.365   5.042
  481   2HB   GLU  46          3HB       GLU  46  18.501   8.265   6.339
  482   1HG   GLU  46          2HG       GLU  46  20.431   9.345   4.924
  483   2HG   GLU  46          3HG       GLU  46  20.533   7.636   5.314
  484    QB   GLU  46           QB       GLU  46  18.288   8.815   5.691
  485    QG   GLU  46           QG       GLU  46  20.482   8.491   5.119
  486    H    ASP  47           HN       ASP  47  15.522   8.669   5.016
  487    HA   ASP  47           HA       ASP  47  14.563   7.262   7.328
  488   1HB   ASP  47          2HB       ASP  47  13.584   9.426   6.860
  489   2HB   ASP  47          3HB       ASP  47  13.050   8.902   5.264
  490    QB   ASP  47           QB       ASP  47  13.317   9.164   6.062
  491    H    LEU  48           HN       LEU  48  13.673   7.041   3.936
  492    HA   LEU  48           HA       LEU  48  11.763   4.961   4.134
  493   1HB   LEU  48          2HB       LEU  48  13.672   5.878   1.995
  494   2HB   LEU  48          3HB       LEU  48  12.748   4.422   1.710
  495    HG   LEU  48           HG       LEU  48  11.500   7.057   2.583
  496   1HD1  LEU  48          2HD1      LEU  48  11.711   5.853  -0.193
  497   2HD1  LEU  48          3HD1      LEU  48  10.790   7.297   0.222
  498   3HD1  LEU  48          1HD1      LEU  48  12.548   7.301   0.359
  499   1HD2  LEU  48          2HD2      LEU  48  10.301   4.522   1.400
  500   2HD2  LEU  48          3HD2      LEU  48  10.144   5.031   3.074
  501   3HD2  LEU  48          1HD2      LEU  48   9.405   5.981   1.797
  502    QB   LEU  48           QB       LEU  48  13.210   5.150   1.852
  503    QD1  LEU  48           QD1      LEU  48  11.683   6.817   0.130
  504    QD2  LEU  48           QD2      LEU  48   9.950   5.178   2.090
  505    QQD  LEU  48           QQD      LEU  48  10.817   5.997   1.110
  506    H    GLN  49           HN       GLN  49  15.236   4.794   3.829
  507    HA   GLN  49           HA       GLN  49  15.560   1.990   3.771
  508   1HB   GLN  49          2HB       GLN  49  17.354   3.683   3.401
  509   2HB   GLN  49          3HB       GLN  49  17.319   4.082   5.106
  510   1HG   GLN  49          2HG       GLN  49  17.822   1.246   4.202
  511   2HG   GLN  49          3HG       GLN  49  19.133   2.416   4.299
  512   1HE2  GLN  49          2HE2      GLN  49  18.270   0.567   7.607
  513   2HE2  GLN  49          1HE2      GLN  49  18.205  -0.027   6.019
  514    QB   GLN  49           QB       GLN  49  17.337   3.882   4.253
  515    QG   GLN  49           QG       GLN  49  18.477   1.831   4.251
  516    QE2  GLN  49           QE2      GLN  49  18.237   0.270   6.813
  517    H    GLN  50           HN       GLN  50  15.443   4.244   6.504
  518    HA   GLN  50           HA       GLN  50  15.575   2.361   8.629
  519   1HB   GLN  50          2HB       GLN  50  15.708   4.887   8.828
  520   2HB   GLN  50          3HB       GLN  50  13.974   4.950   8.573
  521   1HG   GLN  50          2HG       GLN  50  13.763   3.344  10.574
  522   2HG   GLN  50          3HG       GLN  50  15.454   3.697  10.898
  523   1HE2  GLN  50          2HE2      GLN  50  13.159   7.087  11.054
  524   2HE2  GLN  50          1HE2      GLN  50  13.181   6.173   9.626
  525    QB   GLN  50           QB       GLN  50  14.841   4.919   8.701
  526    QG   GLN  50           QG       GLN  50  14.609   3.520  10.736
  527    QE2  GLN  50           QE2      GLN  50  13.170   6.630  10.340
  528    H    LYS  51           HN       LYS  51  12.786   3.793   7.098
  529    HA   LYS  51           HA       LYS  51  10.673   2.588   8.487
  530   1HB   LYS  51          2HB       LYS  51  10.896   4.391   6.491
  531   2HB   LYS  51          3HB       LYS  51  10.429   3.011   5.526
  532   1HG   LYS  51          2HG       LYS  51   8.324   3.809   6.032
  533   2HG   LYS  51          3HG       LYS  51   8.553   2.747   7.415
  534   1HD   LYS  51          2HD       LYS  51   7.788   4.872   8.272
  535   2HD   LYS  51          3HD       LYS  51   9.500   4.753   8.669
  536   1HE   LYS  51          2HE       LYS  51   9.979   6.048   6.530
  537   2HE   LYS  51          3HE       LYS  51   8.253   6.297   6.361
  538   1HZ   LYS  51          3HZ       LYS  51   8.982   7.031   8.960
  539   2HZ   LYS  51          1HZ       LYS  51  10.114   7.723   7.885
  540   3HZ   LYS  51          2HZ       LYS  51   8.450   8.043   7.684
  541    QB   LYS  51           QB       LYS  51  10.662   3.701   6.009
  542    QG   LYS  51           QG       LYS  51   8.438   3.278   6.724
  543    QD   LYS  51           QD       LYS  51   8.644   4.813   8.470
  544    QE   LYS  51           QE       LYS  51   9.116   6.172   6.445
  545    QZ   LYS  51           QZ       LYS  51   9.182   7.599   8.176
  546    H    ALA  52           HN       ALA  52  12.189   1.584   5.491
  547    HA   ALA  52           HA       ALA  52  10.679  -0.856   5.189
  548   1HB   ALA  52          3HB       ALA  52  13.226   0.152   3.887
  549   2HB   ALA  52          1HB       ALA  52  12.291  -1.219   3.318
  550   3HB   ALA  52          2HB       ALA  52  11.589   0.386   3.291
  551    QB   ALA  52           QB       ALA  52  12.369  -0.227   3.498
  552    H    GLY  53           HN       GLY  53  14.045  -0.215   6.175
  553   1HA   GLY  53          1HA       GLY  53  15.304  -1.558   7.710
  554   2HA   GLY  53          2HA       GLY  53  14.042  -2.785   7.632
  555    QA   GLY  53           QA       GLY  53  14.673  -2.171   7.671
  556    H    LYS  54           HN       LYS  54  15.789  -1.187   5.035
  557    HA   LYS  54           HA       LYS  54  16.992  -3.813   4.255
  558   1HB   LYS  54          2HB       LYS  54  15.672  -1.771   2.419
  559   2HB   LYS  54          3HB       LYS  54  16.579  -3.154   1.842
  560   1HG   LYS  54          2HG       LYS  54  14.119  -3.319   3.619
  561   2HG   LYS  54          3HG       LYS  54  14.117  -3.576   1.879
  562   1HD   LYS  54          2HD       LYS  54  15.616  -5.509   2.120
  563   2HD   LYS  54          3HD       LYS  54  15.756  -5.223   3.852
  564   1HE   LYS  54          2HE       LYS  54  13.353  -5.612   4.147
  565   2HE   LYS  54          3HE       LYS  54  13.160  -5.847   2.414
  566   1HZ   LYS  54          2HZ       LYS  54  15.191  -7.564   3.298
  567   2HZ   LYS  54          3HZ       LYS  54  13.872  -7.745   4.355
  568   3HZ   LYS  54          1HZ       LYS  54  13.659  -7.968   2.682
  569    QB   LYS  54           QB       LYS  54  16.126  -2.462   2.131
  570    QG   LYS  54           QG       LYS  54  14.118  -3.448   2.749
  571    QD   LYS  54           QD       LYS  54  15.686  -5.366   2.986
  572    QE   LYS  54           QE       LYS  54  13.256  -5.730   3.280
  573    QZ   LYS  54           QZ       LYS  54  14.241  -7.759   3.445
  574    HA   PRO  55           HA       PRO  55  20.491  -1.099   2.824
  575   1HB   PRO  55          2HB       PRO  55  19.781  -2.197   0.137
  576   2HB   PRO  55          3HB       PRO  55  21.371  -1.991   0.867
  577   1HG   PRO  55          2HG       PRO  55  20.202  -4.438   0.721
  578   2HG   PRO  55          3HG       PRO  55  21.188  -3.984   2.119
  579   1HD   PRO  55          2HD       PRO  55  18.212  -4.190   1.896
  580   2HD   PRO  55          3HD       PRO  55  19.250  -4.451   3.312
  581    QB   PRO  55           QB       PRO  55  20.576  -2.094   0.502
  582    QG   PRO  55           QG       PRO  55  20.695  -4.211   1.420
  583    QD   PRO  55           QD       PRO  55  18.731  -4.320   2.604
  584    H    VAL  56           HN       VAL  56  20.272   0.106   0.256
  585    HA   VAL  56           HA       VAL  56  17.904   1.842   0.713
  586    HB   VAL  56           HB       VAL  56  19.437   3.552  -0.499
  587   1HG1  VAL  56          3HG1      VAL  56  20.097   2.542   2.296
  588   2HG1  VAL  56          1HG1      VAL  56  20.479   4.147   1.684
  589   3HG1  VAL  56          2HG1      VAL  56  18.805   3.669   1.905
  590   1HG2  VAL  56          1HG2      VAL  56  21.136   1.879  -1.179
  591   2HG2  VAL  56          2HG2      VAL  56  21.837   3.130  -0.160
  592   3HG2  VAL  56          3HG2      VAL  56  21.476   1.550   0.519
  593    QG1  VAL  56           QG1      VAL  56  19.794   3.453   1.962
  594    QG2  VAL  56           QG2      VAL  56  21.483   2.187  -0.273
  595    QQG  VAL  56           QQG      VAL  56  20.638   2.820   0.844
  596    H    GLU  57           HN       GLU  57  16.930   0.096  -0.682
  597    HA   GLU  57           HA       GLU  57  17.494   0.086  -3.515
  598   1HB   GLU  57          2HB       GLU  57  15.188  -0.910  -1.822
  599   2HB   GLU  57          3HB       GLU  57  15.190  -1.089  -3.569
  600   1HG   GLU  57          2HG       GLU  57  16.097  -3.092  -2.285
  601   2HG   GLU  57          3HG       GLU  57  17.186  -2.454  -3.508
  602    QB   GLU  57           QB       GLU  57  15.189  -0.999  -2.695
  603    QG   GLU  57           QG       GLU  57  16.642  -2.773  -2.897
  604    H    THR  58           HN       THR  58  17.349   2.672  -3.125
  605    HA   THR  58           HA       THR  58  16.268   4.695  -3.575
  606    HB   THR  58           HB       THR  58  15.404   4.718  -5.926
  607    HG1  THR  58          1HG       THR  58  14.944   2.123  -5.182
  608   1HG2  THR  58          1HG2      THR  58  17.911   4.487  -5.548
  609   2HG2  THR  58          2HG2      THR  58  17.706   2.739  -5.575
  610   3HG2  THR  58          3HG2      THR  58  17.362   3.688  -7.016
  611    QG2  THR  58           QG2      THR  58  17.659   3.638  -6.046
  612    H    VAL  59           HN       VAL  59  13.667   3.664  -5.394
  613    HA   VAL  59           HA       VAL  59  11.684   3.856  -3.203
  614    HB   VAL  59           HB       VAL  59  10.427   5.618  -4.628
  615   1HG1  VAL  59          2HG1      VAL  59  13.083   6.420  -3.387
  616   2HG1  VAL  59          3HG1      VAL  59  11.737   7.506  -3.707
  617   3HG1  VAL  59          1HG1      VAL  59  11.570   6.223  -2.516
  618   1HG2  VAL  59          2HG2      VAL  59  13.197   5.883  -5.850
  619   2HG2  VAL  59          3HG2      VAL  59  11.757   5.316  -6.688
  620   3HG2  VAL  59          1HG2      VAL  59  11.852   6.979  -6.124
  621    QG1  VAL  59           QG1      VAL  59  12.130   6.716  -3.203
  622    QG2  VAL  59           QG2      VAL  59  12.269   6.059  -6.220
  623    QQG  VAL  59           QQG      VAL  59  12.199   6.388  -4.712
  624    HA   PRO  60           HA       PRO  60   9.644   4.148  -3.135
  625   1HB   PRO  60          2HB       PRO  60   6.981   3.728  -3.476
  626   2HB   PRO  60          3HB       PRO  60   7.848   4.999  -4.354
  627   1HG   PRO  60          2HG       PRO  60   6.834   2.371  -5.363
  628   2HG   PRO  60          3HG       PRO  60   7.086   3.878  -6.244
  629   1HD   PRO  60          2HD       PRO  60   8.845   1.602  -6.155
  630   2HD   PRO  60          3HD       PRO  60   9.163   3.164  -6.943
  631    QB   PRO  60           QB       PRO  60   7.415   4.363  -3.915
  632    QG   PRO  60           QG       PRO  60   6.960   3.125  -5.803
  633    QD   PRO  60           QD       PRO  60   9.004   2.383  -6.549
  634    H    GLN  61           HN       GLN  61   8.099   3.231  -1.320
  635    HA   GLN  61           HA       GLN  61   8.385   0.254  -1.237
  636   1HB   GLN  61          2HB       GLN  61   8.928   2.102   1.117
  637   2HB   GLN  61          3HB       GLN  61   9.137   0.355   1.082
  638   1HG   GLN  61          2HG       GLN  61  10.976   0.544  -0.518
  639   2HG   GLN  61          3HG       GLN  61  10.684   2.273  -0.710
  640   1HE2  GLN  61          2HE2      GLN  61  13.416   1.617   1.892
  641   2HE2  GLN  61          1HE2      GLN  61  13.198   0.999   0.320
  642    QB   GLN  61           QB       GLN  61   9.032   1.229   1.100
  643    QG   GLN  61           QG       GLN  61  10.830   1.409  -0.614
  644    QE2  GLN  61           QE2      GLN  61  13.307   1.308   1.106
  645    H    ILE  62           HN       ILE  62   6.836  -0.824   0.002
  646    HA   ILE  62           HA       ILE  62   4.481   0.810   0.860
  647    HB   ILE  62           HB       ILE  62   4.503  -1.854  -0.602
  648   1HG1  ILE  62          2HG1      ILE  62   3.466   0.929  -1.274
  649   2HG1  ILE  62          3HG1      ILE  62   4.848   0.134  -2.008
  650   1HG2  ILE  62          1HG2      ILE  62   2.150  -0.300   0.575
  651   2HG2  ILE  62          2HG2      ILE  62   2.015  -1.748  -0.418
  652   3HG2  ILE  62          3HG2      ILE  62   2.750  -1.842   1.175
  653   1HD1  ILE  62          1HD1      ILE  62   3.336  -1.641  -2.875
  654   2HD1  ILE  62          2HD1      ILE  62   1.959  -0.790  -2.181
  655   3HD1  ILE  62          3HD1      ILE  62   2.894  -0.049  -3.472
  656    QG1  ILE  62           QG1      ILE  62   4.157   0.532  -1.641
  657    QG2  ILE  62           QG2      ILE  62   2.305  -1.297   0.444
  658    QD1  ILE  62           QD1      ILE  62   2.729  -0.827  -2.843
  659    H    PHE  63           HN       PHE  63   3.355   0.076   2.625
  660    HA   PHE  63           HA       PHE  63   4.660  -2.040   4.270
  661   1HB   PHE  63          2HB       PHE  63   3.724   0.666   5.300
  662   2HB   PHE  63          3HB       PHE  63   4.505  -0.595   6.248
  663    HD1  PHE  63          2HD       PHE  63   5.037   1.559   3.232
  664    HD2  PHE  63          1HD       PHE  63   6.881  -0.560   6.432
  665    HE1  PHE  63          2HE       PHE  63   7.236   2.289   2.444
  666    HE2  PHE  63          1HE       PHE  63   9.063   0.259   5.696
  667    HZ   PHE  63           HZ       PHE  63   9.258   1.681   3.701
  668    QB   PHE  63           QB       PHE  63   4.114   0.036   5.774
  669    QR   PHE  63           QR       PHE  63   7.054   0.887   4.451
  670    H    VAL  64           HN       VAL  64   3.274  -2.710   6.045
  671    HA   VAL  64           HA       VAL  64   0.358  -2.451   5.496
  672    HB   VAL  64           HB       VAL  64   2.007  -4.984   5.811
  673   1HG1  VAL  64          1HG1      VAL  64  -1.013  -4.677   5.840
  674   2HG1  VAL  64          2HG1      VAL  64  -0.148  -6.205   5.776
  675   3HG1  VAL  64          3HG1      VAL  64  -0.018  -5.189   7.202
  676   1HG2  VAL  64          1HG2      VAL  64   1.828  -4.011   3.527
  677   2HG2  VAL  64          2HG2      VAL  64   0.962  -5.538   3.633
  678   3HG2  VAL  64          3HG2      VAL  64   0.074  -4.019   3.662
  679    QG1  VAL  64           QG1      VAL  64  -0.393  -5.357   6.273
  680    QG2  VAL  64           QG2      VAL  64   0.955  -4.523   3.607
  681    QQG  VAL  64           QQG      VAL  64   0.281  -4.940   4.940
  682    H    ASP  65           HN       ASP  65  -0.453  -1.608   7.311
  683    HA   ASP  65           HA       ASP  65  -0.813  -1.138   9.565
  684   1HB   ASP  65          2HB       ASP  65  -1.239  -3.770   9.120
  685   2HB   ASP  65          3HB       ASP  65  -0.021  -3.894  10.370
  686    QB   ASP  65           QB       ASP  65  -0.630  -3.832   9.745
  687    H    GLN  66           HN       GLN  66   1.608  -3.507  10.270
  688    HA   GLN  66           HA       GLN  66   3.495  -1.420  11.183
  689   1HB   GLN  66          2HB       GLN  66   2.516  -3.728  12.909
  690   2HB   GLN  66          3HB       GLN  66   3.743  -2.556  13.375
  691   1HG   GLN  66          2HG       GLN  66   2.158  -0.743  13.361
  692   2HG   GLN  66          3HG       GLN  66   0.937  -1.714  12.551
  693   1HE2  GLN  66          2HE2      GLN  66  -0.399  -2.888  15.540
  694   2HE2  GLN  66          1HE2      GLN  66  -0.585  -2.635  13.866
  695    QB   GLN  66           QB       GLN  66   3.130  -3.142  13.142
  696    QG   GLN  66           QG       GLN  66   1.547  -1.229  12.956
  697    QE2  GLN  66           QE2      GLN  66  -0.492  -2.761  14.703
  698    H    GLN  67           HN       GLN  67   3.285  -3.549   9.064
  699    HA   GLN  67           HA       GLN  67   5.855  -4.955   9.521
  700   1HB   GLN  67          2HB       GLN  67   4.045  -6.561   9.482
  701   2HB   GLN  67          3HB       GLN  67   3.228  -5.719   8.174
  702   1HG   GLN  67          2HG       GLN  67   5.073  -6.329   6.647
  703   2HG   GLN  67          3HG       GLN  67   5.864  -7.178   7.968
  704   1HE2  GLN  67          2HE2      GLN  67   3.465  -9.886   7.922
  705   2HE2  GLN  67          1HE2      GLN  67   4.513  -9.040   8.951
  706    QB   GLN  67           QB       GLN  67   3.637  -6.140   8.828
  707    QG   GLN  67           QG       GLN  67   5.469  -6.754   7.308
  708    QE2  GLN  67           QE2      GLN  67   3.989  -9.463   8.436
  709    H    HIS  68           HN       HIS  68   7.190  -5.099   7.551
  710    HA   HIS  68           HA       HIS  68   6.499  -2.982   5.539
  711   1HB   HIS  68          2HB       HIS  68   8.586  -2.470   6.622
  712   2HB   HIS  68          3HB       HIS  68   9.141  -4.117   6.471
  713    HD1  HIS  68           HD1      HIS  68  11.109  -3.685   5.069
  714    HD2  HIS  68           HD2      HIS  68   7.794  -1.948   3.381
  715    HE1  HIS  68           HE1      HIS  68  11.716  -3.170   2.673
  716    QB   HIS  68           QB       HIS  68   8.863  -3.293   6.547
  717    H    ILE  69           HN       ILE  69   6.433  -3.596   3.340
  718    HA   ILE  69           HA       ILE  69   6.598  -6.553   2.913
  719    HB   ILE  69           HB       ILE  69   5.282  -4.486   1.119
  720   1HG1  ILE  69          2HG1      ILE  69   4.092  -4.373   3.215
  721   2HG1  ILE  69          3HG1      ILE  69   3.120  -5.334   2.116
  722   1HG2  ILE  69          1HG2      ILE  69   5.032  -7.514   1.298
  723   2HG2  ILE  69          2HG2      ILE  69   4.101  -6.484   0.220
  724   3HG2  ILE  69          3HG2      ILE  69   5.843  -6.612   0.023
  725   1HD1  ILE  69          3HD1      ILE  69   4.012  -7.415   3.169
  726   2HD1  ILE  69          1HD1      ILE  69   4.947  -6.437   4.291
  727   3HD1  ILE  69          2HD1      ILE  69   3.193  -6.398   4.339
  728    QG1  ILE  69           QG1      ILE  69   3.606  -4.854   2.665
  729    QG2  ILE  69           QG2      ILE  69   4.992  -6.870   0.514
  730    QD1  ILE  69           QD1      ILE  69   4.051  -6.750   3.933
  731    H    GLY  70           HN       GLY  70   7.434  -3.473   1.419
  732   1HA   GLY  70          1HA       GLY  70   9.958  -3.599   0.678
  733   2HA   GLY  70          2HA       GLY  70   9.368  -4.907  -0.345
  734    QA   GLY  70           QA       GLY  70   9.663  -4.253   0.167
  735    H    GLY  71           HN       GLY  71   9.045  -4.261  -2.343
  736   1HA   GLY  71          1HA       GLY  71   8.179  -1.442  -2.879
  737   2HA   GLY  71          2HA       GLY  71   9.178  -2.396  -3.972
  738    QA   GLY  71           QA       GLY  71   8.678  -1.919  -3.425
  739    OH   TYR  72           OH       TYR  72   1.124  -4.420  -9.975
  740    H    TYR  72           HN       TYR  72   7.234  -1.547  -5.338
  741    HA   TYR  72           HA       TYR  72   4.641  -2.503  -5.178
  742   1HB   TYR  72          2HB       TYR  72   5.236  -0.964  -6.939
  743   2HB   TYR  72          3HB       TYR  72   6.339  -2.135  -7.665
  744    HD1  TYR  72           HD2      TYR  72   2.739  -1.875  -6.610
  745    HD2  TYR  72           HD1      TYR  72   5.511  -3.471  -9.421
  746    HE1  TYR  72           HE2      TYR  72   0.900  -2.984  -7.796
  747    HE2  TYR  72           HE1      TYR  72   3.674  -4.547 -10.617
  748    HH   TYR  72           HH       TYR  72   1.383  -4.503 -10.899
  749    QB   TYR  72           QB       TYR  72   5.788  -1.549  -7.302
  750    QR   TYR  72           QR       TYR  72   3.206  -3.219  -8.611
  751    H    THR  73           HN       THR  73   7.163  -4.235  -7.041
  752    HA   THR  73           HA       THR  73   5.797  -6.440  -7.943
  753    HB   THR  73           HB       THR  73   7.983  -7.776  -7.399
  754    HG1  THR  73          1HG       THR  73   8.930  -6.845  -5.709
  755   1HG2  THR  73          2HG2      THR  73   7.799  -6.326  -9.494
  756   2HG2  THR  73          3HG2      THR  73   8.430  -4.978  -8.553
  757   3HG2  THR  73          1HG2      THR  73   9.429  -6.400  -8.837
  758    QG2  THR  73           QG2      THR  73   8.553  -5.901  -8.961
  759    H    ASP  74           HN       ASP  74   7.366  -6.335  -4.870
  760    HA   ASP  74           HA       ASP  74   6.303  -8.718  -3.786
  761   1HB   ASP  74          2HB       ASP  74   6.947  -6.367  -2.019
  762   2HB   ASP  74          3HB       ASP  74   7.352  -8.068  -1.798
  763    QB   ASP  74           QB       ASP  74   7.150  -7.218  -1.909
  764    H    PHE  75           HN       PHE  75   5.240  -5.337  -3.271
  765    HA   PHE  75           HA       PHE  75   3.048  -5.858  -1.621
  766   1HB   PHE  75          2HB       PHE  75   3.688  -3.572  -2.333
  767   2HB   PHE  75          3HB       PHE  75   3.040  -3.895  -3.938
  768    HD1  PHE  75          2HD       PHE  75   1.728  -4.707  -0.498
  769    HD2  PHE  75          1HD       PHE  75   1.041  -2.632  -4.152
  770    HE1  PHE  75          2HE       PHE  75  -0.531  -4.113   0.259
  771    HE2  PHE  75          1HE       PHE  75  -1.198  -1.994  -3.366
  772    HZ   PHE  75           HZ       PHE  75  -1.994  -2.743  -1.155
  773    QB   PHE  75           QB       PHE  75   3.364  -3.734  -3.135
  774    QR   PHE  75           QR       PHE  75   0.260  -3.362  -1.940
  775    H    ALA  76           HN       ALA  76   3.056  -6.011  -5.200
  776    HA   ALA  76           HA       ALA  76   0.316  -6.801  -5.472
  777   1HB   ALA  76          2HB       ALA  76   1.747  -6.220  -7.419
  778   2HB   ALA  76          3HB       ALA  76   2.681  -7.689  -7.174
  779   3HB   ALA  76          1HB       ALA  76   0.985  -7.788  -7.642
  780    QB   ALA  76           QB       ALA  76   1.804  -7.232  -7.412
  781    H    ALA  77           HN       ALA  77   3.221  -8.870  -5.374
  782    HA   ALA  77           HA       ALA  77   1.907 -11.371  -5.273
  783   1HB   ALA  77          2HB       ALA  77   4.487 -10.574  -3.867
  784   2HB   ALA  77          3HB       ALA  77   3.969 -12.229  -4.185
  785   3HB   ALA  77          1HB       ALA  77   4.352 -11.152  -5.523
  786    QB   ALA  77           QB       ALA  77   4.269 -11.319  -4.525
  787    CH2  TRP  78           CH2      TRP  78  -1.301  -7.159   3.348
  788    H    TRP  78           HN       TRP  78   2.982  -9.423  -2.515
  789    HA   TRP  78           HA       TRP  78   2.067 -11.036  -0.402
  790   1HB   TRP  78          2HB       TRP  78   3.443  -9.005  -0.118
  791   2HB   TRP  78          3HB       TRP  78   2.104  -8.015  -0.614
  792    HD1  TRP  78           HD1      TRP  78   3.409  -9.936   2.452
  793    HE1  TRP  78           HE1      TRP  78   2.017  -9.373   4.463
  794    HE3  TRP  78           HE3      TRP  78  -0.100  -7.206   0.171
  795    HZ2  TRP  78           HZ2      TRP  78  -0.413  -8.126   5.028
  796    HZ3  TRP  78           HZ3      TRP  78  -1.977  -6.308   1.513
  797    HH2  TRP  78           HH2      TRP  78  -2.129  -6.764   3.920
  798    QB   TRP  78           QB       TRP  78   2.773  -8.510  -0.366
  799    H    VAL  79           HN       VAL  79   0.362  -8.414  -2.071
  800    HA   VAL  79           HA       VAL  79  -2.084  -8.436  -0.717
  801    HB   VAL  79           HB       VAL  79  -1.356  -7.934  -3.612
  802   1HG1  VAL  79          1HG1      VAL  79  -4.126  -7.637  -2.377
  803   2HG1  VAL  79          2HG1      VAL  79  -3.655  -7.022  -3.952
  804   3HG1  VAL  79          3HG1      VAL  79  -3.692  -8.753  -3.666
  805   1HG2  VAL  79          3HG2      VAL  79  -2.294  -6.159  -1.339
  806   2HG2  VAL  79          1HG2      VAL  79  -0.644  -6.305  -1.913
  807   3HG2  VAL  79          2HG2      VAL  79  -1.875  -5.603  -2.953
  808    QG1  VAL  79           QG1      VAL  79  -3.824  -7.804  -3.332
  809    QG2  VAL  79           QG2      VAL  79  -1.604  -6.022  -2.068
  810    QQG  VAL  79           QQG      VAL  79  -2.714  -6.913  -2.700
  811    H    LYS  80           HN       LYS  80  -1.196 -10.377  -3.526
  812    HA   LYS  80           HA       LYS  80  -3.525 -11.668  -4.124
  813   1HB   LYS  80          2HB       LYS  80  -1.470 -12.138  -5.337
  814   2HB   LYS  80          3HB       LYS  80  -0.770 -12.919  -3.929
  815   1HG   LYS  80          2HG       LYS  80  -1.547 -14.643  -5.450
  816   2HG   LYS  80          3HG       LYS  80  -2.568 -14.655  -4.027
  817   1HD   LYS  80          2HD       LYS  80  -4.101 -13.034  -5.430
  818   2HD   LYS  80          3HD       LYS  80  -3.206 -13.661  -6.802
  819   1HE   LYS  80          2HE       LYS  80  -5.163 -15.042  -6.539
  820   2HE   LYS  80          3HE       LYS  80  -3.782 -15.996  -6.009
  821   1HZ   LYS  80          2HZ       LYS  80  -4.832 -14.514  -3.843
  822   2HZ   LYS  80          3HZ       LYS  80  -6.089 -15.394  -4.588
  823   3HZ   LYS  80          1HZ       LYS  80  -4.670 -16.195  -3.999
  824    QB   LYS  80           QB       LYS  80  -1.120 -12.528  -4.633
  825    QG   LYS  80           QG       LYS  80  -2.058 -14.649  -4.738
  826    QD   LYS  80           QD       LYS  80  -3.654 -13.347  -6.116
  827    QE   LYS  80           QE       LYS  80  -4.473 -15.519  -6.274
  828    QZ   LYS  80           QZ       LYS  80  -5.197 -15.368  -4.143
  829    H    GLU  81           HN       GLU  81  -1.575 -12.538  -1.288
  830    HA   GLU  81           HA       GLU  81  -3.758 -14.482  -0.577
  831   1HB   GLU  81          2HB       GLU  81  -0.843 -14.784  -0.622
  832   2HB   GLU  81          3HB       GLU  81  -1.524 -15.225   0.940
  833   1HG   GLU  81          2HG       GLU  81  -1.615 -17.221  -0.344
  834   2HG   GLU  81          3HG       GLU  81  -3.258 -16.604  -0.390
  835    QB   GLU  81           QB       GLU  81  -1.184 -15.004   0.159
  836    QG   GLU  81           QG       GLU  81  -2.436 -16.912  -0.367
  837    H    ASN  82           HN       ASN  82  -1.816 -11.810   0.686
  838    HA   ASN  82           HA       ASN  82  -2.766 -12.331   3.420
  839   1HB   ASN  82          2HB       ASN  82  -1.318  -9.990   2.147
  840   2HB   ASN  82          3HB       ASN  82  -1.888  -9.943   3.809
  841   1HD2  ASN  82          2HD2      ASN  82   1.345 -12.223   2.847
  842   2HD2  ASN  82          1HD2      ASN  82   0.427 -11.452   1.636
  843    QB   ASN  82           QB       ASN  82  -1.603  -9.966   2.978
  844    QD2  ASN  82           QD2      ASN  82   0.886 -11.837   2.241
  845    H    LEU  83           HN       LEU  83  -3.952 -10.905   0.583
  846    HA   LEU  83           HA       LEU  83  -6.282  -9.776   2.109
  847   1HB   LEU  83          2HB       LEU  83  -5.207  -8.918  -0.603
  848   2HB   LEU  83          3HB       LEU  83  -6.610  -8.231   0.211
  849    HG   LEU  83           HG       LEU  83  -3.752  -8.190   1.267
  850   1HD1  LEU  83          2HD1      LEU  83  -4.170  -6.671  -0.646
  851   2HD1  LEU  83          3HD1      LEU  83  -5.537  -5.974   0.215
  852   3HD1  LEU  83          1HD1      LEU  83  -3.905  -5.770   0.835
  853   1HD2  LEU  83          2HD2      LEU  83  -6.317  -6.970   2.380
  854   2HD2  LEU  83          3HD2      LEU  83  -5.399  -8.287   3.106
  855   3HD2  LEU  83          1HD2      LEU  83  -4.700  -6.683   3.014
  856    QB   LEU  83           QB       LEU  83  -5.908  -8.574  -0.196
  857    QD1  LEU  83           QD1      LEU  83  -4.537  -6.139   0.134
  858    QD2  LEU  83           QD2      LEU  83  -5.472  -7.313   2.833
  859    QQD  LEU  83           QQD      LEU  83  -5.005  -6.726   1.484
  860    H    ASP  84           HN       ASP  84  -5.398 -12.365   0.791
  861    HA   ASP  84           HA       ASP  84  -6.170 -13.996  -0.666
  862   1HB   ASP  84          2HB       ASP  84  -8.278 -14.868   0.254
  863   2HB   ASP  84          3HB       ASP  84  -7.131 -14.425   1.494
  864    QB   ASP  84           QB       ASP  84  -7.704 -14.646   0.874
  865    H    ALA  85           HN       ALA  85  -6.074 -12.852  -2.626
  866    HA   ALA  85           HA       ALA  85  -8.776 -12.504  -3.847
  867   1HB   ALA  85          2HB       ALA  85  -6.314 -10.803  -4.425
  868   2HB   ALA  85          3HB       ALA  85  -7.857 -10.681  -5.263
  869   3HB   ALA  85          1HB       ALA  85  -7.751 -10.264  -3.556
  870    QB   ALA  85           QB       ALA  85  -7.308 -10.583  -4.415
   
  Start of MODEL          15
 Raw file had 870 H/Q atoms
  Start of MODEL   15
    1    H    MET   1           HN       MET   1  -7.192  -4.065   8.472
    2    HA   MET   1           HA       MET   1  -5.105  -3.363   9.029
    3   1HB   MET   1          2HB       MET   1  -4.388  -4.703   6.390
    4   2HB   MET   1          3HB       MET   1  -3.197  -4.051   7.501
    5   1HG   MET   1          2HG       MET   1  -3.478  -6.445   7.883
    6   2HG   MET   1          3HG       MET   1  -3.987  -5.532   9.274
    7   1HE   MET   1          3HE       MET   1  -4.743  -7.338   6.240
    8   2HE   MET   1          1HE       MET   1  -6.172  -8.310   6.570
    9   3HE   MET   1          2HE       MET   1  -6.352  -6.673   5.938
   10    QB   MET   1           QB       MET   1  -3.792  -4.377   6.946
   11    QG   MET   1           QG       MET   1  -3.733  -5.988   8.579
   12    QE   MET   1           QE       MET   1  -5.756  -7.440   6.250
   13    H    GLN   2           HN       GLN   2  -3.323  -1.855   8.212
   14    HA   GLN   2           HA       GLN   2  -4.518   0.176   6.474
   15   1HB   GLN   2          2HB       GLN   2  -2.779   1.654   7.644
   16   2HB   GLN   2          3HB       GLN   2  -4.203   1.199   8.563
   17   1HG   GLN   2          2HG       GLN   2  -3.027  -0.438   9.756
   18   2HG   GLN   2          3HG       GLN   2  -1.719  -0.498   8.589
   19   1HE2  GLN   2          2HE2      GLN   2   0.148   1.868  10.432
   20   2HE2  GLN   2          1HE2      GLN   2   0.157   0.530   9.389
   21    QB   GLN   2           QB       GLN   2  -3.491   1.426   8.104
   22    QG   GLN   2           QG       GLN   2  -2.373  -0.468   9.173
   23    QE2  GLN   2           QE2      GLN   2   0.153   1.199   9.911
   24    H    THR   3           HN       THR   3  -3.503   0.555   4.563
   25    HA   THR   3           HA       THR   3  -0.734  -0.547   4.256
   26    HB   THR   3           HB       THR   3  -2.856   0.010   2.125
   27    HG1  THR   3          1HG       THR   3  -3.531  -1.801   2.961
   28   1HG2  THR   3          3HG2      THR   3  -0.256  -1.599   2.008
   29   2HG2  THR   3          1HG2      THR   3  -1.398  -1.368   0.686
   30   3HG2  THR   3          2HG2      THR   3  -0.446  -0.009   1.274
   31    QG2  THR   3           QG2      THR   3  -0.700  -0.992   1.323
   32    H    VAL   4           HN       VAL   4   0.864   0.888   3.970
   33    HA   VAL   4           HA       VAL   4   0.096   3.635   3.048
   34    HB   VAL   4           HB       VAL   4   0.689   3.592   5.475
   35   1HG1  VAL   4          1HG1      VAL   4   2.285   1.692   5.361
   36   2HG1  VAL   4          2HG1      VAL   4   3.424   2.721   4.497
   37   3HG1  VAL   4          3HG1      VAL   4   2.981   3.092   6.161
   38   1HG2  VAL   4          1HG2      VAL   4   1.135   5.603   4.094
   39   2HG2  VAL   4          2HG2      VAL   4   2.341   5.422   5.361
   40   3HG2  VAL   4          3HG2      VAL   4   2.737   4.981   3.704
   41    QG1  VAL   4           QG1      VAL   4   2.897   2.501   5.340
   42    QG2  VAL   4           QG2      VAL   4   2.071   5.335   4.386
   43    QQG  VAL   4           QQG      VAL   4   2.484   3.918   4.863
   44    H    ILE   5           HN       ILE   5   1.370   4.566   1.594
   45    HA   ILE   5           HA       ILE   5   3.631   2.949   0.451
   46    HB   ILE   5           HB       ILE   5   1.901   5.019  -0.957
   47   1HG1  ILE   5          2HG1      ILE   5   1.724   2.054  -1.481
   48   2HG1  ILE   5          3HG1      ILE   5   0.759   2.780  -0.200
   49   1HG2  ILE   5          1HG2      ILE   5   3.885   2.965  -2.003
   50   2HG2  ILE   5          2HG2      ILE   5   2.908   4.022  -3.008
   51   3HG2  ILE   5          3HG2      ILE   5   4.130   4.709  -1.950
   52   1HD1  ILE   5          1HD1      ILE   5  -0.219   4.360  -1.835
   53   2HD1  ILE   5          2HD1      ILE   5   0.736   3.617  -3.115
   54   3HD1  ILE   5          3HD1      ILE   5  -0.521   2.690  -2.304
   55    QG1  ILE   5           QG1      ILE   5   1.242   2.417  -0.840
   56    QG2  ILE   5           QG2      ILE   5   3.641   3.899  -2.321
   57    QD1  ILE   5           QD1      ILE   5  -0.001   3.556  -2.418
   58    H    PHE   6           HN       PHE   6   5.569   3.904   0.887
   59    HA   PHE   6           HA       PHE   6   5.678   6.881   1.159
   60   1HB   PHE   6          2HB       PHE   6   7.771   4.819   1.974
   61   2HB   PHE   6          3HB       PHE   6   7.769   6.526   2.365
   62    HD1  PHE   6          1HD       PHE   6   5.677   7.380   3.761
   63    HD2  PHE   6          2HD       PHE   6   6.834   3.292   3.473
   64    HE1  PHE   6          1HE       PHE   6   4.523   6.904   5.873
   65    HE2  PHE   6          2HE       PHE   6   5.758   2.839   5.632
   66    HZ   PHE   6           HZ       PHE   6   4.556   4.632   6.815
   67    QB   PHE   6           QB       PHE   6   7.770   5.673   2.169
   68    QR   PHE   6           QR       PHE   6   5.698   5.104   4.685
   69    H    GLY   7           HN       GLY   7   5.502   6.811  -1.229
   70   1HA   GLY   7          1HA       GLY   7   8.229   6.621  -2.397
   71   2HA   GLY   7          2HA       GLY   7   6.960   5.683  -3.173
   72    QA   GLY   7           QA       GLY   7   7.595   6.152  -2.785
   73    NH1  ARG   8           NH1      ARG   8   4.581  12.824  -6.475
   74    NH2  ARG   8           NH2      ARG   8   4.830  13.439  -8.667
   75    H    ARG   8           HN       ARG   8   7.989   7.284  -4.876
   76    HA   ARG   8           HA       ARG   8   6.361   9.800  -4.834
   77   1HB   ARG   8          2HB       ARG   8   9.028   9.698  -5.155
   78   2HB   ARG   8          3HB       ARG   8   8.577   9.364  -6.819
   79   1HG   ARG   8          2HG       ARG   8   7.420  11.712  -5.279
   80   2HG   ARG   8          3HG       ARG   8   8.926  11.841  -6.175
   81   1HD   ARG   8          2HD       ARG   8   7.866  11.447  -8.265
   82   2HD   ARG   8          3HD       ARG   8   6.405  10.818  -7.518
   83    HE   ARG   8           HE       ARG   8   7.194  13.708  -7.289
   84   1HH1  ARG   8          2HH1      ARG   8   5.013  12.530  -5.602
   85   2HH1  ARG   8          1HH1      ARG   8   3.588  12.928  -6.521
   86   1HH2  ARG   8          2HH2      ARG   8   5.434  13.581  -9.446
   87   2HH2  ARG   8          1HH2      ARG   8   3.848  13.562  -8.773
   88    QB   ARG   8           QB       ARG   8   8.802   9.531  -5.987
   89    QG   ARG   8           QG       ARG   8   8.173  11.777  -5.727
   90    QD   ARG   8           QD       ARG   8   7.136  11.133  -7.891
   91    QH1  ARG   8           QH1      ARG   8   4.301  12.729  -6.061
   92    QH2  ARG   8           QH2      ARG   8   4.641  13.572  -9.110
   93    H    SER   9           HN       SER   9   4.668   9.795  -6.168
   94    HA   SER   9           HA       SER   9   4.621   7.731  -8.337
   95   1HB   SER   9          2HB       SER   9   3.002   7.565  -6.325
   96   2HB   SER   9          3HB       SER   9   2.149   8.929  -7.063
   97    HG   SER   9           HG       SER   9   1.535   6.716  -7.789
   98    QB   SER   9           QB       SER   9   2.575   8.247  -6.694
   99    H    GLY  10           HN       GLY  10   2.455   8.421  -9.640
  100   1HA   GLY  10          1HA       GLY  10   1.524  10.576 -10.728
  101   2HA   GLY  10          2HA       GLY  10   3.216  10.965 -11.043
  102    QA   GLY  10           QA       GLY  10   2.370  10.771 -10.885
  103    H    CYS  11           HN       CYS  11   4.226   8.554 -11.722
  104    HA   CYS  11           HA       CYS  11   2.681   7.747 -14.167
  105   1HB   CYS  11          2HB       CYS  11   4.770   9.101 -14.611
  106   2HB   CYS  11          3HB       CYS  11   5.692   7.845 -13.827
  107    HG   CYS  11           HG       CYS  11   4.600   7.734 -16.685
  108    QB   CYS  11           QB       CYS  11   5.231   8.473 -14.219
  109    HA   PRO  12           HA       PRO  12   1.103   5.066 -12.130
  110   1HB   PRO  12          2HB       PRO  12   2.632   2.568 -12.789
  111   2HB   PRO  12          3HB       PRO  12   0.887   2.838 -12.742
  112   1HG   PRO  12          2HG       PRO  12   2.494   2.877 -15.075
  113   2HG   PRO  12          3HG       PRO  12   0.843   3.491 -14.961
  114   1HD   PRO  12          2HD       PRO  12   3.235   5.044 -15.381
  115   2HD   PRO  12          3HD       PRO  12   1.596   5.665 -15.101
  116    QB   PRO  12           QB       PRO  12   1.760   2.703 -12.766
  117    QG   PRO  12           QG       PRO  12   1.669   3.184 -15.018
  118    QD   PRO  12           QD       PRO  12   2.416   5.355 -15.241
  119    OH   TYR  13           OH       TYR  13  10.144   5.619 -12.993
  120    H    TYR  13           HN       TYR  13   4.260   3.431 -11.874
  121    HA   TYR  13           HA       TYR  13   5.506   2.808 -10.000
  122   1HB   TYR  13          2HB       TYR  13   4.970   5.759  -9.624
  123   2HB   TYR  13          3HB       TYR  13   6.016   4.881  -8.523
  124    HD1  TYR  13           HD1      TYR  13   6.916   3.039 -11.171
  125    HD2  TYR  13           HD2      TYR  13   7.004   7.162 -10.108
  126    HE1  TYR  13           HE1      TYR  13   8.837   3.370 -12.624
  127    HE2  TYR  13           HE2      TYR  13   8.947   7.484 -11.571
  128    HH   TYR  13           HH       TYR  13  10.905   5.732 -12.416
  129    QB   TYR  13           QB       TYR  13   5.493   5.320  -9.074
  130    QR   TYR  13           QR       TYR  13   7.926   5.264 -11.368
  131    H    CYS  14           HN       CYS  14   3.103   4.962  -8.424
  132    HA   CYS  14           HA       CYS  14   2.620   2.665  -6.558
  133   1HB   CYS  14          2HB       CYS  14   2.094   5.556  -5.883
  134   2HB   CYS  14          3HB       CYS  14   2.118   4.187  -4.810
  135    HG   CYS  14           HG       CYS  14   4.605   5.713  -5.804
  136    QB   CYS  14           QB       CYS  14   2.106   4.871  -5.347
  137    H    VAL  15           HN       VAL  15   1.222   4.830  -8.810
  138    HA   VAL  15           HA       VAL  15  -1.452   5.017  -8.075
  139    HB   VAL  15           HB       VAL  15  -0.381   4.400 -10.856
  140   1HG1  VAL  15          3HG1      VAL  15  -2.992   5.678  -9.970
  141   2HG1  VAL  15          1HG1      VAL  15  -2.443   5.531 -11.636
  142   3HG1  VAL  15          2HG1      VAL  15  -2.837   4.089 -10.708
  143   1HG2  VAL  15          3HG2      VAL  15  -0.959   7.043  -9.450
  144   2HG2  VAL  15          1HG2      VAL  15   0.642   6.420  -9.816
  145   3HG2  VAL  15          2HG2      VAL  15  -0.437   6.876 -11.123
  146    QG1  VAL  15           QG1      VAL  15  -2.757   5.099 -10.771
  147    QG2  VAL  15           QG2      VAL  15  -0.251   6.779 -10.130
  148    QQG  VAL  15           QQG      VAL  15  -1.504   5.939 -10.450
  149    NH1  ARG  16           NH1      ARG  16  -3.784   1.392 -13.594
  150    NH2  ARG  16           NH2      ARG  16  -5.124   1.445 -11.750
  151    H    ARG  16           HN       ARG  16   0.229   2.167  -9.261
  152    HA   ARG  16           HA       ARG  16  -2.253   0.614  -9.456
  153   1HB   ARG  16          2HB       ARG  16   0.668  -0.126  -9.701
  154   2HB   ARG  16          3HB       ARG  16  -0.610  -1.338  -9.734
  155   1HG   ARG  16          2HG       ARG  16  -0.391   1.052 -11.618
  156   2HG   ARG  16          3HG       ARG  16  -0.020  -0.614 -12.035
  157   1HD   ARG  16          2HD       ARG  16  -2.221  -0.543 -12.785
  158   2HD   ARG  16          3HD       ARG  16  -2.527  -1.009 -11.118
  159    HE   ARG  16           HE       ARG  16  -2.682   1.660 -10.821
  160   1HH1  ARG  16          2HH1      ARG  16  -2.871   1.275 -13.976
  161   2HH1  ARG  16          1HH1      ARG  16  -4.555   1.588 -14.202
  162   1HH2  ARG  16          2HH2      ARG  16  -5.217   1.404 -10.750
  163   2HH2  ARG  16          1HH2      ARG  16  -5.947   1.609 -12.299
  164    QB   ARG  16           QB       ARG  16   0.029  -0.732  -9.717
  165    QG   ARG  16           QG       ARG  16  -0.205   0.219 -11.826
  166    QD   ARG  16           QD       ARG  16  -2.374  -0.776 -11.952
  167    QH1  ARG  16           QH1      ARG  16  -3.713   1.432 -14.089
  168    QH2  ARG  16           QH2      ARG  16  -5.582   1.507 -11.525
  169    H    ALA  17           HN       ALA  17   0.346   0.943  -7.069
  170    HA   ALA  17           HA       ALA  17  -0.642  -1.167  -5.363
  171   1HB   ALA  17          2HB       ALA  17   1.602  -0.119  -5.050
  172   2HB   ALA  17          3HB       ALA  17   0.826   1.393  -4.589
  173   3HB   ALA  17          1HB       ALA  17   0.650  -0.040  -3.574
  174    QB   ALA  17           QB       ALA  17   1.026   0.411  -4.404
  175    H    LYS  18           HN       LYS  18  -1.082   2.316  -5.471
  176    HA   LYS  18           HA       LYS  18  -3.032   2.593  -3.445
  177   1HB   LYS  18          2HB       LYS  18  -2.026   4.585  -4.292
  178   2HB   LYS  18          3HB       LYS  18  -2.406   4.168  -5.954
  179   1HG   LYS  18          2HG       LYS  18  -4.790   4.382  -4.222
  180   2HG   LYS  18          3HG       LYS  18  -3.886   5.882  -4.366
  181   1HD   LYS  18          2HD       LYS  18  -4.010   5.773  -6.815
  182   2HD   LYS  18          3HD       LYS  18  -4.791   4.202  -6.744
  183   1HE   LYS  18          2HE       LYS  18  -5.939   6.708  -5.471
  184   2HE   LYS  18          3HE       LYS  18  -6.385   6.137  -7.077
  185   1HZ   LYS  18          1HZ       LYS  18  -6.632   3.935  -5.475
  186   2HZ   LYS  18          2HZ       LYS  18  -7.230   5.199  -4.513
  187   3HZ   LYS  18          3HZ       LYS  18  -7.917   4.897  -6.044
  188    QB   LYS  18           QB       LYS  18  -2.216   4.376  -5.123
  189    QG   LYS  18           QG       LYS  18  -4.338   5.132  -4.294
  190    QD   LYS  18           QD       LYS  18  -4.400   4.987  -6.780
  191    QE   LYS  18           QE       LYS  18  -6.162   6.422  -6.274
  192    QZ   LYS  18           QZ       LYS  18  -7.260   4.677  -5.344
  193    H    ASP  19           HN       ASP  19  -3.549   2.201  -6.981
  194    HA   ASP  19           HA       ASP  19  -6.382   2.092  -6.864
  195   1HB   ASP  19          2HB       ASP  19  -4.919   2.172  -8.963
  196   2HB   ASP  19          3HB       ASP  19  -4.707   0.432  -8.781
  197    QB   ASP  19           QB       ASP  19  -4.813   1.302  -8.872
  198    H    LEU  20           HN       LEU  20  -4.124  -0.684  -7.024
  199    HA   LEU  20           HA       LEU  20  -5.988  -2.733  -6.582
  200   1HB   LEU  20          2HB       LEU  20  -3.686  -3.297  -7.062
  201   2HB   LEU  20          3HB       LEU  20  -3.110  -2.461  -5.628
  202    HG   LEU  20           HG       LEU  20  -4.203  -4.118  -4.176
  203   1HD1  LEU  20          1HD1      LEU  20  -5.057  -5.446  -6.773
  204   2HD1  LEU  20          2HD1      LEU  20  -5.262  -6.125  -5.160
  205   3HD1  LEU  20          3HD1      LEU  20  -6.139  -4.671  -5.617
  206   1HD2  LEU  20          3HD2      LEU  20  -2.561  -5.392  -6.401
  207   2HD2  LEU  20          1HD2      LEU  20  -1.906  -4.573  -4.987
  208   3HD2  LEU  20          2HD2      LEU  20  -2.798  -6.076  -4.795
  209    QB   LEU  20           QB       LEU  20  -3.398  -2.879  -6.345
  210    QD1  LEU  20           QD1      LEU  20  -5.486  -5.414  -5.850
  211    QD2  LEU  20           QD2      LEU  20  -2.422  -5.347  -5.394
  212    QQD  LEU  20           QQD      LEU  20  -3.954  -5.380  -5.622
  213    H    ALA  21           HN       ALA  21  -4.043  -1.130  -4.121
  214    HA   ALA  21           HA       ALA  21  -5.167  -2.269  -1.831
  215   1HB   ALA  21          3HB       ALA  21  -3.164  -0.782  -1.867
  216   2HB   ALA  21          1HB       ALA  21  -4.207   0.595  -2.204
  217   3HB   ALA  21          2HB       ALA  21  -4.332  -0.257  -0.670
  218    QB   ALA  21           QB       ALA  21  -3.901  -0.148  -1.581
  219    H    GLU  22           HN       GLU  22  -6.131   0.747  -3.449
  220    HA   GLU  22           HA       GLU  22  -8.375   1.390  -1.866
  221   1HB   GLU  22          2HB       GLU  22  -7.406   2.788  -3.747
  222   2HB   GLU  22          3HB       GLU  22  -8.157   1.682  -4.885
  223   1HG   GLU  22          2HG       GLU  22 -10.349   2.301  -4.266
  224   2HG   GLU  22          3HG       GLU  22  -9.824   3.011  -2.740
  225    QB   GLU  22           QB       GLU  22  -7.781   2.235  -4.316
  226    QG   GLU  22           QG       GLU  22 -10.086   2.656  -3.503
  227    H    LYS  23           HN       LYS  23  -8.162  -0.550  -4.766
  228    HA   LYS  23           HA       LYS  23 -10.808  -1.364  -5.055
  229   1HB   LYS  23          2HB       LYS  23  -8.556  -1.900  -6.389
  230   2HB   LYS  23          3HB       LYS  23  -8.619  -3.386  -5.460
  231   1HG   LYS  23          2HG       LYS  23 -11.014  -2.343  -7.010
  232   2HG   LYS  23          3HG       LYS  23  -9.808  -3.361  -7.770
  233   1HD   LYS  23          2HD       LYS  23 -11.334  -4.149  -5.265
  234   2HD   LYS  23          3HD       LYS  23 -11.797  -4.623  -6.893
  235   1HE   LYS  23          2HE       LYS  23  -9.482  -5.622  -7.175
  236   2HE   LYS  23          3HE       LYS  23  -9.207  -5.308  -5.464
  237   1HZ   LYS  23          3HZ       LYS  23 -11.646  -6.593  -5.627
  238   2HZ   LYS  23          1HZ       LYS  23 -10.584  -7.451  -6.645
  239   3HZ   LYS  23          2HZ       LYS  23 -10.195  -7.198  -5.007
  240    QB   LYS  23           QB       LYS  23  -8.588  -2.643  -5.925
  241    QG   LYS  23           QG       LYS  23 -10.411  -2.852  -7.390
  242    QD   LYS  23           QD       LYS  23 -11.565  -4.386  -6.079
  243    QE   LYS  23           QE       LYS  23  -9.344  -5.465  -6.319
  244    QZ   LYS  23           QZ       LYS  23 -10.808  -7.081  -5.760
  245    H    LEU  24           HN       LEU  24  -8.267  -2.923  -3.106
  246    HA   LEU  24           HA       LEU  24  -9.998  -4.844  -1.837
  247   1HB   LEU  24          2HB       LEU  24  -7.333  -3.659  -1.078
  248   2HB   LEU  24          3HB       LEU  24  -8.145  -4.838  -0.053
  249    HG   LEU  24           HG       LEU  24  -7.895  -5.428  -2.998
  250   1HD1  LEU  24          2HD1      LEU  24  -5.620  -4.741  -2.232
  251   2HD1  LEU  24          3HD1      LEU  24  -5.719  -5.936  -0.947
  252   3HD1  LEU  24          1HD1      LEU  24  -5.708  -6.446  -2.631
  253   1HD2  LEU  24          3HD2      LEU  24  -9.221  -6.870  -1.435
  254   2HD2  LEU  24          1HD2      LEU  24  -7.863  -7.737  -2.143
  255   3HD2  LEU  24          2HD2      LEU  24  -7.767  -7.145  -0.487
  256    QB   LEU  24           QB       LEU  24  -7.739  -4.248  -0.566
  257    QD1  LEU  24           QD1      LEU  24  -5.682  -5.708  -1.937
  258    QD2  LEU  24           QD2      LEU  24  -8.284  -7.251  -1.355
  259    QQD  LEU  24           QQD      LEU  24  -6.983  -6.479  -1.646
  260    H    SER  25           HN       SER  25  -9.220  -1.542  -1.199
  261    HA   SER  25           HA       SER  25 -10.448  -1.360   1.392
  262   1HB   SER  25          2HB       SER  25  -8.972   0.438   0.172
  263   2HB   SER  25          3HB       SER  25 -10.482   0.927  -0.617
  264    HG   SER  25           HG       SER  25 -10.372   0.481   2.178
  265    QB   SER  25           QB       SER  25  -9.727   0.682  -0.223
  266    H    ASN  26           HN       ASN  26 -11.598  -1.413  -1.898
  267    HA   ASN  26           HA       ASN  26 -14.390  -0.854  -1.018
  268   1HB   ASN  26          2HB       ASN  26 -13.433   0.178  -3.137
  269   2HB   ASN  26          3HB       ASN  26 -13.353  -1.448  -3.810
  270   1HD2  ASN  26          2HD2      ASN  26 -16.860  -1.625  -4.403
  271   2HD2  ASN  26          1HD2      ASN  26 -15.440  -2.544  -4.269
  272    QB   ASN  26           QB       ASN  26 -13.393  -0.635  -3.474
  273    QD2  ASN  26           QD2      ASN  26 -16.150  -2.084  -4.336
  274    H    GLU  27           HN       GLU  27 -12.905  -3.198  -0.206
  275    HA   GLU  27           HA       GLU  27 -14.766  -5.292  -1.248
  276   1HB   GLU  27          2HB       GLU  27 -11.787  -5.576  -0.707
  277   2HB   GLU  27          3HB       GLU  27 -12.864  -6.954  -0.849
  278   1HG   GLU  27          2HG       GLU  27 -13.536  -6.212  -3.114
  279   2HG   GLU  27          3HG       GLU  27 -12.420  -4.865  -2.995
  280    QB   GLU  27           QB       GLU  27 -12.325  -6.265  -0.778
  281    QG   GLU  27           QG       GLU  27 -12.978  -5.538  -3.055
  282    NH1  ARG  28           NH1      ARG  28  -9.891  -9.659   0.998
  283    NH2  ARG  28           NH2      ARG  28 -10.878  -9.090  -0.972
  284    H    ARG  28           HN       ARG  28 -12.345  -4.889   1.376
  285    HA   ARG  28           HA       ARG  28 -14.463  -5.866   3.284
  286   1HB   ARG  28          2HB       ARG  28 -11.438  -6.203   3.490
  287   2HB   ARG  28          3HB       ARG  28 -12.585  -6.660   4.738
  288   1HG   ARG  28          2HG       ARG  28 -11.914  -8.631   3.430
  289   2HG   ARG  28          3HG       ARG  28 -13.623  -8.300   3.195
  290   1HD   ARG  28          2HD       ARG  28 -13.299  -7.512   1.015
  291   2HD   ARG  28          3HD       ARG  28 -11.602  -7.121   1.290
  292    HE   ARG  28           HE       ARG  28 -12.571  -9.963   1.167
  293   1HH1  ARG  28          2HH1      ARG  28  -9.999  -9.837   1.987
  294   2HH1  ARG  28          1HH1      ARG  28  -9.012  -9.793   0.552
  295   1HH2  ARG  28          2HH2      ARG  28 -11.709  -8.827  -1.478
  296   2HH2  ARG  28          1HH2      ARG  28 -10.025  -9.203  -1.473
  297    QB   ARG  28           QB       ARG  28 -12.011  -6.432   4.114
  298    QG   ARG  28           QG       ARG  28 -12.768  -8.465   3.312
  299    QD   ARG  28           QD       ARG  28 -12.451  -7.317   1.153
  300    QH1  ARG  28           QH1      ARG  28  -9.505  -9.815   1.269
  301    QH2  ARG  28           QH2      ARG  28 -10.867  -9.015  -1.476
  302    H    ASP  29           HN       ASP  29 -14.925  -4.494   4.952
  303    HA   ASP  29           HA       ASP  29 -13.770  -1.826   4.883
  304   1HB   ASP  29          2HB       ASP  29 -15.501  -2.907   7.107
  305   2HB   ASP  29          3HB       ASP  29 -15.436  -1.267   6.467
  306    QB   ASP  29           QB       ASP  29 -15.469  -2.087   6.787
  307    H    ASP  30           HN       ASP  30 -11.969  -4.025   5.534
  308    HA   ASP  30           HA       ASP  30 -11.041  -3.179   8.241
  309   1HB   ASP  30          2HB       ASP  30 -10.282  -5.353   8.572
  310   2HB   ASP  30          3HB       ASP  30 -11.524  -5.738   7.388
  311    QB   ASP  30           QB       ASP  30 -10.903  -5.546   7.980
  312    H    PHE  31           HN       PHE  31 -10.451  -3.371   4.867
  313    HA   PHE  31           HA       PHE  31  -7.591  -2.684   5.166
  314   1HB   PHE  31          2HB       PHE  31  -8.369  -4.558   3.666
  315   2HB   PHE  31          3HB       PHE  31  -9.148  -3.347   2.654
  316    HD1  PHE  31          2HD       PHE  31  -5.836  -4.418   4.006
  317    HD2  PHE  31          1HD       PHE  31  -7.871  -2.030   1.125
  318    HE1  PHE  31          2HE       PHE  31  -3.712  -3.983   2.855
  319    HE2  PHE  31          1HE       PHE  31  -5.758  -1.572   0.021
  320    HZ   PHE  31           HZ       PHE  31  -3.664  -2.571   0.849
  321    QB   PHE  31           QB       PHE  31  -8.758  -3.952   3.160
  322    QR   PHE  31           QR       PHE  31  -5.794  -3.001   2.002
  323    H    GLN  32           HN       GLN  32  -7.051  -0.732   5.213
  324    HA   GLN  32           HA       GLN  32  -8.408   1.330   3.501
  325   1HB   GLN  32          2HB       GLN  32  -7.075   1.746   6.214
  326   2HB   GLN  32          3HB       GLN  32  -7.853   2.990   5.248
  327   1HG   GLN  32          2HG       GLN  32 -10.030   1.928   5.530
  328   2HG   GLN  32          3HG       GLN  32  -9.297   0.544   6.337
  329   1HE2  GLN  32          2HE2      GLN  32 -10.334   3.659   8.582
  330   2HE2  GLN  32          1HE2      GLN  32 -10.932   3.365   7.019
  331    QB   GLN  32           QB       GLN  32  -7.464   2.368   5.731
  332    QG   GLN  32           QG       GLN  32  -9.664   1.236   5.934
  333    QE2  GLN  32           QE2      GLN  32 -10.633   3.512   7.800
  334    OH   TYR  33           OH       TYR  33  -6.730   5.904  -2.779
  335    H    TYR  33           HN       TYR  33  -6.930   2.514   2.216
  336    HA   TYR  33           HA       TYR  33  -4.043   1.849   2.690
  337   1HB   TYR  33          2HB       TYR  33  -3.657   1.645   0.398
  338   2HB   TYR  33          3HB       TYR  33  -5.270   0.956   0.549
  339    HD1  TYR  33           HD1      TYR  33  -7.249   2.223  -0.189
  340    HD2  TYR  33           HD2      TYR  33  -3.335   3.836  -0.637
  341    HE1  TYR  33           HE1      TYR  33  -8.139   3.987  -1.642
  342    HE2  TYR  33           HE2      TYR  33  -4.230   5.610  -2.072
  343    HH   TYR  33           HH       TYR  33  -7.701   5.892  -2.688
  344    QB   TYR  33           QB       TYR  33  -4.464   1.301   0.473
  345    QR   TYR  33           QR       TYR  33  -5.738   3.914  -1.135
  346    H    GLN  34           HN       GLN  34  -2.556   3.483   2.051
  347    HA   GLN  34           HA       GLN  34  -3.625   6.232   1.864
  348   1HB   GLN  34          2HB       GLN  34  -1.810   5.201   4.082
  349   2HB   GLN  34          3HB       GLN  34  -2.026   6.905   3.736
  350   1HG   GLN  34          2HG       GLN  34  -3.604   6.549   5.432
  351   2HG   GLN  34          3HG       GLN  34  -4.578   6.410   3.984
  352   1HE2  GLN  34          2HE2      GLN  34  -3.878   2.601   4.962
  353   2HE2  GLN  34          1HE2      GLN  34  -2.748   3.556   4.136
  354    QB   GLN  34           QB       GLN  34  -1.918   6.053   3.909
  355    QG   GLN  34           QG       GLN  34  -4.091   6.480   4.708
  356    QE2  GLN  34           QE2      GLN  34  -3.313   3.079   4.549
  357    OH   TYR  35           OH       TYR  35   3.766   9.300  -4.507
  358    H    TYR  35           HN       TYR  35  -2.527   7.203   0.252
  359    HA   TYR  35           HA       TYR  35   0.210   6.189  -0.387
  360   1HB   TYR  35          2HB       TYR  35  -1.201   6.270  -2.381
  361   2HB   TYR  35          3HB       TYR  35  -1.709   7.918  -2.010
  362    HD1  TYR  35           HD2      TYR  35   1.353   5.882  -2.772
  363    HD2  TYR  35           HD1      TYR  35  -0.404   9.762  -2.802
  364    HE1  TYR  35           HE2      TYR  35   3.378   6.795  -3.803
  365    HE2  TYR  35           HE1      TYR  35   1.636  10.662  -3.827
  366    HH   TYR  35           HH       TYR  35   4.484   9.284  -3.841
  367    QB   TYR  35           QB       TYR  35  -1.455   7.094  -2.195
  368    QR   TYR  35           QR       TYR  35   1.491   8.275  -3.301
  369    H    VAL  36           HN       VAL  36   1.845   7.345   0.469
  370    HA   VAL  36           HA       VAL  36   1.334  10.238   1.052
  371    HB   VAL  36           HB       VAL  36   3.190   8.340   2.559
  372   1HG1  VAL  36          3HG1      VAL  36   3.693  10.769   2.762
  373   2HG1  VAL  36          1HG1      VAL  36   2.039  11.053   3.297
  374   3HG1  VAL  36          2HG1      VAL  36   3.135  10.094   4.286
  375   1HG2  VAL  36          1HG2      VAL  36   0.369   9.223   3.278
  376   2HG2  VAL  36          2HG2      VAL  36   0.840   7.595   2.806
  377   3HG2  VAL  36          3HG2      VAL  36   1.434   8.277   4.313
  378    QG1  VAL  36           QG1      VAL  36   2.956  10.639   3.448
  379    QG2  VAL  36           QG2      VAL  36   0.881   8.365   3.466
  380    QQG  VAL  36           QQG      VAL  36   1.918   9.502   3.457
  381    H    ASP  37           HN       ASP  37   3.279  11.587   0.726
  382    HA   ASP  37           HA       ASP  37   5.197  10.232  -1.149
  383   1HB   ASP  37          2HB       ASP  37   3.641  11.922  -2.261
  384   2HB   ASP  37          3HB       ASP  37   4.459  13.163  -1.314
  385    QB   ASP  37           QB       ASP  37   4.050  12.543  -1.788
  386    H    ILE  38           HN       ILE  38   7.203  10.419  -0.691
  387    HA   ILE  38           HA       ILE  38   8.158  11.043   1.840
  388    HB   ILE  38           HB       ILE  38  10.431  11.111   0.704
  389   1HG1  ILE  38          2HG1      ILE  38   8.664  10.856  -1.768
  390   2HG1  ILE  38          3HG1      ILE  38   9.799  12.144  -1.419
  391   1HG2  ILE  38          3HG2      ILE  38   9.336   9.030   1.488
  392   2HG2  ILE  38          1HG2      ILE  38   8.508   8.876  -0.059
  393   3HG2  ILE  38          2HG2      ILE  38  10.259   8.733   0.024
  394   1HD1  ILE  38          3HD1      ILE  38  11.667  10.488  -1.505
  395   2HD1  ILE  38          1HD1      ILE  38  10.506   9.236  -1.939
  396   3HD1  ILE  38          2HD1      ILE  38  10.785  10.587  -3.028
  397    QG1  ILE  38           QG1      ILE  38   9.231  11.500  -1.593
  398    QG2  ILE  38           QG2      ILE  38   9.367   8.880   0.484
  399    QD1  ILE  38           QD1      ILE  38  10.986  10.104  -2.157
  400    NH1  ARG  39           NH1      ARG  39   7.718  19.559  -1.201
  401    NH2  ARG  39           NH2      ARG  39   8.531  20.401  -3.174
  402    H    ARG  39           HN       ARG  39   7.885  13.282  -0.889
  403    HA   ARG  39           HA       ARG  39   9.293  15.341   0.744
  404   1HB   ARG  39          2HB       ARG  39   9.595  14.827  -1.850
  405   2HB   ARG  39          3HB       ARG  39   8.199  15.879  -2.002
  406   1HG   ARG  39          2HG       ARG  39   9.616  17.471  -0.399
  407   2HG   ARG  39          3HG       ARG  39  10.968  16.532  -1.009
  408   1HD   ARG  39          2HD       ARG  39  10.652  18.513  -2.420
  409   2HD   ARG  39          3HD       ARG  39  10.252  17.063  -3.348
  410    HE   ARG  39           HE       ARG  39   7.899  17.632  -3.165
  411   1HH1  ARG  39          2HH1      ARG  39   7.540  18.745  -0.628
  412   2HH1  ARG  39          1HH1      ARG  39   7.473  20.463  -0.861
  413   1HH2  ARG  39          2HH2      ARG  39   8.962  20.220  -4.059
  414   2HH2  ARG  39          1HH2      ARG  39   8.309  21.340  -2.915
  415    QB   ARG  39           QB       ARG  39   8.897  15.353  -1.926
  416    QG   ARG  39           QG       ARG  39  10.292  17.001  -0.704
  417    QD   ARG  39           QD       ARG  39  10.452  17.788  -2.884
  418    QH1  ARG  39           QH1      ARG  39   7.507  19.604  -0.745
  419    QH2  ARG  39           QH2      ARG  39   8.635  20.780  -3.487
  420    H    ALA  40           HN       ALA  40   6.371  14.335   1.051
  421    HA   ALA  40           HA       ALA  40   5.068  17.031   0.982
  422   1HB   ALA  40          2HB       ALA  40   3.879  14.237   1.076
  423   2HB   ALA  40          3HB       ALA  40   2.935  15.719   1.110
  424   3HB   ALA  40          1HB       ALA  40   3.887  15.308  -0.317
  425    QB   ALA  40           QB       ALA  40   3.567  15.088   0.623
  426    H    GLU  41           HN       GLU  41   5.375  14.084   2.892
  427    HA   GLU  41           HA       GLU  41   4.492  15.485   5.337
  428   1HB   GLU  41          2HB       GLU  41   5.142  12.643   4.599
  429   2HB   GLU  41          3HB       GLU  41   5.124  13.094   6.300
  430   1HG   GLU  41          2HG       GLU  41   2.897  12.254   5.448
  431   2HG   GLU  41          3HG       GLU  41   2.820  13.871   6.133
  432    QB   GLU  41           QB       GLU  41   5.133  12.869   5.449
  433    QG   GLU  41           QG       GLU  41   2.858  13.063   5.791
  434    H    GLY  42           HN       GLY  42   7.465  14.612   3.801
  435   1HA   GLY  42          1HA       GLY  42   9.565  15.645   4.432
  436   2HA   GLY  42          2HA       GLY  42   8.943  15.865   6.064
  437    QA   GLY  42           QA       GLY  42   9.254  15.755   5.248
  438    H    ILE  43           HN       ILE  43   9.342  13.091   3.883
  439    HA   ILE  43           HA       ILE  43  10.534  11.575   6.174
  440    HB   ILE  43           HB       ILE  43   9.194  10.564   3.625
  441   1HG1  ILE  43          2HG1      ILE  43   8.201  10.508   6.502
  442   2HG1  ILE  43          3HG1      ILE  43   7.683  11.697   5.319
  443   1HG2  ILE  43          2HG2      ILE  43  10.934   9.020   4.521
  444   2HG2  ILE  43          3HG2      ILE  43  10.143   9.053   6.092
  445   3HG2  ILE  43          1HG2      ILE  43   9.319   8.344   4.710
  446   1HD1  ILE  43          2HD1      ILE  43   6.823   9.862   3.869
  447   2HD1  ILE  43          3HD1      ILE  43   7.301   8.691   5.100
  448   3HD1  ILE  43          1HD1      ILE  43   6.042   9.874   5.447
  449    QG1  ILE  43           QG1      ILE  43   7.942  11.102   5.911
  450    QG2  ILE  43           QG2      ILE  43  10.132   8.806   5.108
  451    QD1  ILE  43           QD1      ILE  43   6.722   9.476   4.805
  452    H    THR  44           HN       THR  44  12.647  10.882   5.885
  453    HA   THR  44           HA       THR  44  13.971  11.897   3.440
  454    HB   THR  44           HB       THR  44  16.012  11.792   4.729
  455    HG1  THR  44          1HG       THR  44  16.286  10.260   6.141
  456   1HG2  THR  44          2HG2      THR  44  14.362  13.436   5.766
  457   2HG2  THR  44          3HG2      THR  44  13.824  12.145   6.836
  458   3HG2  THR  44          1HG2      THR  44  15.477  12.739   6.936
  459    QG2  THR  44           QG2      THR  44  14.554  12.773   6.513
  460    H    LYS  45           HN       LYS  45  16.132   9.826   3.958
  461    HA   LYS  45           HA       LYS  45  14.720   7.525   2.648
  462   1HB   LYS  45          2HB       LYS  45  17.521   8.617   2.188
  463   2HB   LYS  45          3HB       LYS  45  16.968   7.083   1.549
  464   1HG   LYS  45          2HG       LYS  45  15.821   9.836   0.937
  465   2HG   LYS  45          3HG       LYS  45  16.724   8.824  -0.175
  466   1HD   LYS  45          2HD       LYS  45  13.938   8.322   0.933
  467   2HD   LYS  45          3HD       LYS  45  14.380   8.626  -0.736
  468   1HE   LYS  45          2HE       LYS  45  15.763   6.497  -0.654
  469   2HE   LYS  45          3HE       LYS  45  15.044   6.169   0.912
  470   1HZ   LYS  45          1HZ       LYS  45  12.974   6.745  -0.921
  471   2HZ   LYS  45          2HZ       LYS  45  14.002   5.558  -1.591
  472   3HZ   LYS  45          3HZ       LYS  45  13.291   5.301  -0.078
  473    QB   LYS  45           QB       LYS  45  17.244   7.850   1.869
  474    QG   LYS  45           QG       LYS  45  16.272   9.330   0.381
  475    QD   LYS  45           QD       LYS  45  14.159   8.474   0.099
  476    QE   LYS  45           QE       LYS  45  15.403   6.333   0.129
  477    QZ   LYS  45           QZ       LYS  45  13.422   5.868  -0.863
  478    H    GLU  46           HN       GLU  46  17.074   8.696   4.849
  479    HA   GLU  46           HA       GLU  46  18.052   6.210   5.871
  480   1HB   GLU  46          2HB       GLU  46  17.750   8.839   7.394
  481   2HB   GLU  46          3HB       GLU  46  18.914   7.563   7.714
  482   1HG   GLU  46          2HG       GLU  46  20.354   8.801   6.455
  483   2HG   GLU  46          3HG       GLU  46  19.473   8.187   5.068
  484    QB   GLU  46           QB       GLU  46  18.332   8.201   7.554
  485    QG   GLU  46           QG       GLU  46  19.913   8.494   5.762
  486    H    ASP  47           HN       ASP  47  15.480   8.456   6.789
  487    HA   ASP  47           HA       ASP  47  14.458   6.985   9.030
  488   1HB   ASP  47          2HB       ASP  47  13.984   9.357   8.654
  489   2HB   ASP  47          3HB       ASP  47  13.174   8.994   7.144
  490    QB   ASP  47           QB       ASP  47  13.579   9.176   7.899
  491    H    LEU  48           HN       LEU  48  14.172   6.459   5.674
  492    HA   LEU  48           HA       LEU  48  11.771   4.711   5.981
  493   1HB   LEU  48          2HB       LEU  48  13.143   6.094   3.749
  494   2HB   LEU  48          3HB       LEU  48  12.619   4.478   3.335
  495    HG   LEU  48           HG       LEU  48  10.820   6.542   4.644
  496   1HD1  LEU  48          1HD1      LEU  48  11.549   7.289   2.375
  497   2HD1  LEU  48          2HD1      LEU  48  11.004   5.757   1.702
  498   3HD1  LEU  48          3HD1      LEU  48   9.842   6.879   2.396
  499   1HD2  LEU  48          3HD2      LEU  48  10.123   4.154   4.917
  500   2HD2  LEU  48          1HD2      LEU  48   9.012   5.021   3.875
  501   3HD2  LEU  48          2HD2      LEU  48  10.207   3.939   3.175
  502    QB   LEU  48           QB       LEU  48  12.881   5.286   3.542
  503    QD1  LEU  48           QD1      LEU  48  10.799   6.641   2.158
  504    QD2  LEU  48           QD2      LEU  48   9.780   4.372   3.989
  505    QQD  LEU  48           QQD      LEU  48  10.289   5.506   3.073
  506    H    GLN  49           HN       GLN  49  15.074   4.580   4.867
  507    HA   GLN  49           HA       GLN  49  15.421   1.849   4.363
  508   1HB   GLN  49          2HB       GLN  49  17.071   3.815   4.069
  509   2HB   GLN  49          3HB       GLN  49  17.433   3.643   5.776
  510   1HG   GLN  49          2HG       GLN  49  17.567   1.052   4.444
  511   2HG   GLN  49          3HG       GLN  49  18.608   2.231   3.647
  512   1HE2  GLN  49          2HE2      GLN  49  19.779   0.704   7.127
  513   2HE2  GLN  49          1HE2      GLN  49  18.537   0.044   6.165
  514    QB   GLN  49           QB       GLN  49  17.252   3.729   4.922
  515    QG   GLN  49           QG       GLN  49  18.088   1.642   4.046
  516    QE2  GLN  49           QE2      GLN  49  19.158   0.374   6.646
  517    H    GLN  50           HN       GLN  50  15.754   3.701   7.343
  518    HA   GLN  50           HA       GLN  50  16.319   1.465   9.050
  519   1HB   GLN  50          2HB       GLN  50  16.209   4.263   9.306
  520   2HB   GLN  50          3HB       GLN  50  14.960   3.681  10.395
  521   1HG   GLN  50          2HG       GLN  50  16.613   2.089  11.399
  522   2HG   GLN  50          3HG       GLN  50  17.863   2.770  10.369
  523   1HE2  GLN  50          2HE2      GLN  50  16.841   5.950  12.460
  524   2HE2  GLN  50          1HE2      GLN  50  16.097   5.458  11.014
  525    QB   GLN  50           QB       GLN  50  15.585   3.972   9.850
  526    QG   GLN  50           QG       GLN  50  17.238   2.429  10.884
  527    QE2  GLN  50           QE2      GLN  50  16.469   5.704  11.737
  528    H    LYS  51           HN       LYS  51  13.388   2.603   7.683
  529    HA   LYS  51           HA       LYS  51  11.682   1.369   9.766
  530   1HB   LYS  51          2HB       LYS  51  11.158   2.917   7.239
  531   2HB   LYS  51          3HB       LYS  51   9.874   1.939   7.910
  532   1HG   LYS  51          2HG       LYS  51  10.300   3.117  10.141
  533   2HG   LYS  51          3HG       LYS  51  11.309   4.244   9.249
  534   1HD   LYS  51          2HD       LYS  51   9.290   4.550   7.665
  535   2HD   LYS  51          3HD       LYS  51   8.348   3.678   8.861
  536   1HE   LYS  51          2HE       LYS  51   8.065   6.054   9.272
  537   2HE   LYS  51          3HE       LYS  51   9.041   5.386  10.578
  538   1HZ   LYS  51          3HZ       LYS  51  10.822   6.103   8.604
  539   2HZ   LYS  51          1HZ       LYS  51   9.750   7.417   8.693
  540   3HZ   LYS  51          2HZ       LYS  51  10.600   6.899  10.062
  541    QB   LYS  51           QB       LYS  51  10.516   2.428   7.574
  542    QG   LYS  51           QG       LYS  51  10.804   3.681   9.695
  543    QD   LYS  51           QD       LYS  51   8.819   4.114   8.263
  544    QE   LYS  51           QE       LYS  51   8.553   5.720   9.925
  545    QZ   LYS  51           QZ       LYS  51  10.391   6.806   9.120
  546    H    ALA  52           HN       ALA  52  12.532   0.768   6.400
  547    HA   ALA  52           HA       ALA  52  11.065  -1.815   6.428
  548   1HB   ALA  52          2HB       ALA  52  12.715  -0.459   4.269
  549   2HB   ALA  52          3HB       ALA  52  11.811  -1.949   4.045
  550   3HB   ALA  52          1HB       ALA  52  10.961  -0.446   4.384
  551    QB   ALA  52           QB       ALA  52  11.829  -0.951   4.233
  552    H    GLY  53           HN       GLY  53  14.319  -0.627   6.282
  553   1HA   GLY  53          1HA       GLY  53  16.051  -1.917   7.550
  554   2HA   GLY  53          2HA       GLY  53  15.414  -3.357   6.737
  555    QA   GLY  53           QA       GLY  53  15.733  -2.637   7.144
  556    H    LYS  54           HN       LYS  54  15.116  -2.992   4.416
  557    HA   LYS  54           HA       LYS  54  16.414  -3.232   2.424
  558   1HB   LYS  54          2HB       LYS  54  16.097  -0.275   3.012
  559   2HB   LYS  54          3HB       LYS  54  16.537  -0.909   1.432
  560   1HG   LYS  54          2HG       LYS  54  14.465  -2.216   1.328
  561   2HG   LYS  54          3HG       LYS  54  14.034  -1.713   2.954
  562   1HD   LYS  54          2HD       LYS  54  13.480   0.441   2.317
  563   2HD   LYS  54          3HD       LYS  54  14.598   0.453   0.963
  564   1HE   LYS  54          2HE       LYS  54  11.972  -1.073   1.085
  565   2HE   LYS  54          3HE       LYS  54  12.273   0.381   0.138
  566   1HZ   LYS  54          2HZ       LYS  54  14.268  -1.571  -0.422
  567   2HZ   LYS  54          3HZ       LYS  54  12.721  -2.245  -0.639
  568   3HZ   LYS  54          1HZ       LYS  54  13.164  -0.847  -1.490
  569    QB   LYS  54           QB       LYS  54  16.317  -0.592   2.222
  570    QG   LYS  54           QG       LYS  54  14.249  -1.964   2.141
  571    QD   LYS  54           QD       LYS  54  14.039   0.447   1.640
  572    QE   LYS  54           QE       LYS  54  12.122  -0.346   0.612
  573    QZ   LYS  54           QZ       LYS  54  13.384  -1.554  -0.850
  574    HA   PRO  55           HA       PRO  55  20.156  -0.580   3.160
  575   1HB   PRO  55          2HB       PRO  55  21.319  -0.290   0.694
  576   2HB   PRO  55          3HB       PRO  55  21.568  -1.734   1.682
  577   1HG   PRO  55          2HG       PRO  55  19.923  -1.400  -0.790
  578   2HG   PRO  55          3HG       PRO  55  20.653  -2.867  -0.128
  579   1HD   PRO  55          2HD       PRO  55  17.903  -1.981   0.150
  580   2HD   PRO  55          3HD       PRO  55  18.641  -3.448   0.829
  581    QB   PRO  55           QB       PRO  55  21.444  -1.012   1.188
  582    QG   PRO  55           QG       PRO  55  20.288  -2.133  -0.459
  583    QD   PRO  55           QD       PRO  55  18.272  -2.715   0.490
  584    H    VAL  56           HN       VAL  56  20.917   1.441   1.333
  585    HA   VAL  56           HA       VAL  56  18.587   3.171   1.477
  586    HB   VAL  56           HB       VAL  56  20.697   4.193   1.958
  587   1HG1  VAL  56          1HG1      VAL  56  22.126   2.646   0.674
  588   2HG1  VAL  56          2HG1      VAL  56  21.534   3.340  -0.829
  589   3HG1  VAL  56          3HG1      VAL  56  22.486   4.319   0.280
  590   1HG2  VAL  56          3HG2      VAL  56  19.014   5.565   0.761
  591   2HG2  VAL  56          1HG2      VAL  56  20.650   6.058   0.341
  592   3HG2  VAL  56          2HG2      VAL  56  19.712   5.077  -0.781
  593    QG1  VAL  56           QG1      VAL  56  22.049   3.435   0.042
  594    QG2  VAL  56           QG2      VAL  56  19.792   5.567   0.107
  595    QQG  VAL  56           QQG      VAL  56  20.920   4.501   0.075
  596    H    GLU  57           HN       GLU  57  17.019   2.941   0.040
  597    HA   GLU  57           HA       GLU  57  17.734   2.283  -2.799
  598   1HB   GLU  57          2HB       GLU  57  15.526   1.373  -0.982
  599   2HB   GLU  57          3HB       GLU  57  15.181   1.481  -2.696
  600   1HG   GLU  57          2HG       GLU  57  17.080  -0.022  -3.193
  601   2HG   GLU  57          3HG       GLU  57  17.461  -0.126  -1.475
  602    QB   GLU  57           QB       GLU  57  15.353   1.427  -1.839
  603    QG   GLU  57           QG       GLU  57  17.271  -0.074  -2.334
  604    H    THR  58           HN       THR  58  15.614   2.720  -4.154
  605    HA   THR  58           HA       THR  58  15.169   5.648  -4.059
  606    HB   THR  58           HB       THR  58  15.910   4.644  -6.218
  607    HG1  THR  58          1HG       THR  58  14.495   5.827  -7.282
  608   1HG2  THR  58          3HG2      THR  58  13.306   3.041  -6.064
  609   2HG2  THR  58          1HG2      THR  58  14.394   3.097  -7.441
  610   3HG2  THR  58          2HG2      THR  58  14.918   2.351  -5.938
  611    QG2  THR  58           QG2      THR  58  14.206   2.830  -6.481
  612    H    VAL  59           HN       VAL  59  12.600   4.883  -5.653
  613    HA   VAL  59           HA       VAL  59  10.869   4.184  -3.311
  614    HB   VAL  59           HB       VAL  59   9.168   5.786  -4.421
  615   1HG1  VAL  59          3HG1      VAL  59  11.771   6.938  -3.350
  616   2HG1  VAL  59          1HG1      VAL  59  10.223   7.771  -3.386
  617   3HG1  VAL  59          2HG1      VAL  59  10.435   6.359  -2.360
  618   1HG2  VAL  59          1HG2      VAL  59  10.348   5.933  -6.613
  619   2HG2  VAL  59          2HG2      VAL  59  10.094   7.519  -5.888
  620   3HG2  VAL  59          3HG2      VAL  59  11.681   6.760  -5.812
  621    QG1  VAL  59           QG1      VAL  59  10.810   7.023  -3.032
  622    QG2  VAL  59           QG2      VAL  59  10.708   6.737  -6.105
  623    QQG  VAL  59           QQG      VAL  59  10.759   6.880  -4.568
  624    HA   PRO  60           HA       PRO  60   8.642   4.329  -3.284
  625   1HB   PRO  60          2HB       PRO  60   6.278   3.025  -3.288
  626   2HB   PRO  60          3HB       PRO  60   6.642   4.239  -4.519
  627   1HG   PRO  60          2HG       PRO  60   6.576   1.257  -4.788
  628   2HG   PRO  60          3HG       PRO  60   6.233   2.497  -5.998
  629   1HD   PRO  60          2HD       PRO  60   8.708   1.063  -5.627
  630   2HD   PRO  60          3HD       PRO  60   8.404   2.387  -6.767
  631    QB   PRO  60           QB       PRO  60   6.460   3.632  -3.904
  632    QG   PRO  60           QG       PRO  60   6.405   1.877  -5.393
  633    QD   PRO  60           QD       PRO  60   8.556   1.725  -6.197
  634    H    GLN  61           HN       GLN  61   7.996   3.602  -1.113
  635    HA   GLN  61           HA       GLN  61   8.819   0.762  -0.547
  636   1HB   GLN  61          2HB       GLN  61   8.938   2.995   1.497
  637   2HB   GLN  61          3HB       GLN  61   9.785   1.454   1.495
  638   1HG   GLN  61          2HG       GLN  61  10.937   2.307  -0.679
  639   2HG   GLN  61          3HG       GLN  61  10.320   3.892  -0.227
  640   1HE2  GLN  61          2HE2      GLN  61  12.746   2.508   2.734
  641   2HE2  GLN  61          1HE2      GLN  61  11.310   1.692   2.374
  642    QB   GLN  61           QB       GLN  61   9.362   2.224   1.496
  643    QG   GLN  61           QG       GLN  61  10.629   3.099  -0.453
  644    QE2  GLN  61           QE2      GLN  61  12.028   2.100   2.554
  645    H    ILE  62           HN       ILE  62   7.000  -0.383  -0.175
  646    HA   ILE  62           HA       ILE  62   4.682   0.998   1.093
  647    HB   ILE  62           HB       ILE  62   4.874  -1.631  -0.427
  648   1HG1  ILE  62          2HG1      ILE  62   3.680   1.097  -1.054
  649   2HG1  ILE  62          3HG1      ILE  62   5.125   0.410  -1.779
  650   1HG2  ILE  62          2HG2      ILE  62   3.104  -1.700   1.350
  651   2HG2  ILE  62          3HG2      ILE  62   2.410  -0.219   0.698
  652   3HG2  ILE  62          1HG2      ILE  62   2.406  -1.700  -0.258
  653   1HD1  ILE  62          1HD1      ILE  62   3.777  -1.418  -2.742
  654   2HD1  ILE  62          2HD1      ILE  62   2.322  -0.729  -2.024
  655   3HD1  ILE  62          3HD1      ILE  62   3.193   0.156  -3.271
  656    QG1  ILE  62           QG1      ILE  62   4.402   0.754  -1.417
  657    QG2  ILE  62           QG2      ILE  62   2.640  -1.206   0.597
  658    QD1  ILE  62           QD1      ILE  62   3.097  -0.664  -2.679
  659    H    PHE  63           HN       PHE  63   3.707   0.297   2.829
  660    HA   PHE  63           HA       PHE  63   4.926  -1.909   4.465
  661   1HB   PHE  63          2HB       PHE  63   4.332   0.942   5.307
  662   2HB   PHE  63          3HB       PHE  63   4.483  -0.356   6.476
  663    HD1  PHE  63          2HD       PHE  63   6.414   1.112   3.569
  664    HD2  PHE  63          1HD       PHE  63   6.540  -0.735   7.409
  665    HE1  PHE  63          2HE       PHE  63   8.835   1.510   3.692
  666    HE2  PHE  63          1HE       PHE  63   8.949  -0.317   7.530
  667    HZ   PHE  63           HZ       PHE  63  10.092   0.838   5.694
  668    QB   PHE  63           QB       PHE  63   4.407   0.293   5.891
  669    QR   PHE  63           QR       PHE  63   7.685   0.392   5.550
  670    H    VAL  64           HN       VAL  64   3.467  -2.748   6.063
  671    HA   VAL  64           HA       VAL  64   0.597  -1.967   5.751
  672    HB   VAL  64           HB       VAL  64   1.770  -4.773   5.648
  673   1HG1  VAL  64          2HG1      VAL  64  -1.135  -3.932   5.974
  674   2HG1  VAL  64          3HG1      VAL  64  -0.584  -5.573   5.654
  675   3HG1  VAL  64          1HG1      VAL  64  -0.165  -4.791   7.167
  676   1HG2  VAL  64          2HG2      VAL  64   1.607  -3.505   3.500
  677   2HG2  VAL  64          3HG2      VAL  64   0.535  -4.898   3.526
  678   3HG2  VAL  64          1HG2      VAL  64  -0.116  -3.282   3.785
  679    QG1  VAL  64           QG1      VAL  64  -0.628  -4.766   6.265
  680    QG2  VAL  64           QG2      VAL  64   0.675  -3.895   3.604
  681    QQG  VAL  64           QQG      VAL  64   0.024  -4.330   4.934
  682    H    ASP  65           HN       ASP  65  -0.195  -1.474   7.699
  683    HA   ASP  65           HA       ASP  65  -0.276  -1.196  10.049
  684   1HB   ASP  65          2HB       ASP  65   0.733  -4.049  10.191
  685   2HB   ASP  65          3HB       ASP  65  -0.326  -3.220  11.318
  686    QB   ASP  65           QB       ASP  65   0.204  -3.635  10.755
  687    H    GLN  66           HN       GLN  66   2.255  -3.485  10.204
  688    HA   GLN  66           HA       GLN  66   4.249  -1.415  10.902
  689   1HB   GLN  66          2HB       GLN  66   3.297  -2.396  12.981
  690   2HB   GLN  66          3HB       GLN  66   3.734  -4.002  12.420
  691   1HG   GLN  66          2HG       GLN  66   6.133  -3.363  12.438
  692   2HG   GLN  66          3HG       GLN  66   5.699  -1.739  12.961
  693   1HE2  GLN  66          2HE2      GLN  66   6.200  -4.490  15.757
  694   2HE2  GLN  66          1HE2      GLN  66   6.828  -4.593  14.186
  695    QB   GLN  66           QB       GLN  66   3.515  -3.199  12.700
  696    QG   GLN  66           QG       GLN  66   5.916  -2.551  12.700
  697    QE2  GLN  66           QE2      GLN  66   6.514  -4.542  14.971
  698    H    GLN  67           HN       GLN  67   3.490  -4.273   9.182
  699    HA   GLN  67           HA       GLN  67   6.231  -5.294   9.067
  700   1HB   GLN  67          2HB       GLN  67   5.167  -6.910   7.436
  701   2HB   GLN  67          3HB       GLN  67   4.431  -6.943   9.025
  702   1HG   GLN  67          2HG       GLN  67   2.582  -5.590   8.253
  703   2HG   GLN  67          3HG       GLN  67   3.376  -5.262   6.724
  704   1HE2  GLN  67          2HE2      GLN  67   0.903  -8.314   6.927
  705   2HE2  GLN  67          1HE2      GLN  67   0.877  -6.927   7.907
  706    QB   GLN  67           QB       GLN  67   4.799  -6.927   8.230
  707    QG   GLN  67           QG       GLN  67   2.979  -5.426   7.488
  708    QE2  GLN  67           QE2      GLN  67   0.890  -7.620   7.417
  709    H    HIS  68           HN       HIS  68   7.251  -5.602   6.975
  710    HA   HIS  68           HA       HIS  68   6.788  -3.257   5.188
  711   1HB   HIS  68          2HB       HIS  68   8.978  -3.203   6.192
  712   2HB   HIS  68          3HB       HIS  68   9.250  -4.891   5.837
  713    HD1  HIS  68           HD1      HIS  68  10.463  -5.330   3.782
  714    HD2  HIS  68           HD2      HIS  68   8.722  -1.602   3.593
  715    HE1  HIS  68           HE1      HIS  68  11.309  -4.251   1.666
  716    QB   HIS  68           QB       HIS  68   9.114  -4.047   6.014
  717    H    ILE  69           HN       ILE  69   6.713  -3.625   2.951
  718    HA   ILE  69           HA       ILE  69   6.408  -6.514   2.192
  719    HB   ILE  69           HB       ILE  69   5.162  -4.253   0.632
  720   1HG1  ILE  69          2HG1      ILE  69   4.485  -3.833   2.978
  721   2HG1  ILE  69          3HG1      ILE  69   3.132  -4.394   2.016
  722   1HG2  ILE  69          3HG2      ILE  69   4.447  -7.150   1.191
  723   2HG2  ILE  69          1HG2      ILE  69   3.470  -6.063   0.218
  724   3HG2  ILE  69          2HG2      ILE  69   5.088  -6.502  -0.311
  725   1HD1  ILE  69          2HD1      ILE  69   4.789  -6.189   3.829
  726   2HD1  ILE  69          3HD1      ILE  69   3.224  -5.513   4.247
  727   3HD1  ILE  69          1HD1      ILE  69   3.360  -6.657   2.924
  728    QG1  ILE  69           QG1      ILE  69   3.809  -4.113   2.497
  729    QG2  ILE  69           QG2      ILE  69   4.335  -6.571   0.366
  730    QD1  ILE  69           QD1      ILE  69   3.791  -6.120   3.667
  731    H    GLY  70           HN       GLY  70   7.276  -3.339   0.935
  732   1HA   GLY  70          1HA       GLY  70   9.668  -3.345  -0.056
  733   2HA   GLY  70          2HA       GLY  70   9.080  -4.677  -1.048
  734    QA   GLY  70           QA       GLY  70   9.374  -4.011  -0.552
  735    H    GLY  71           HN       GLY  71   8.528  -4.051  -3.043
  736   1HA   GLY  71          1HA       GLY  71   7.561  -1.245  -3.443
  737   2HA   GLY  71          2HA       GLY  71   8.425  -2.184  -4.656
  738    QA   GLY  71           QA       GLY  71   7.993  -1.714  -4.049
  739    OH   TYR  72           OH       TYR  72   0.334  -3.646 -10.864
  740    H    TYR  72           HN       TYR  72   6.566  -1.545  -5.970
  741    HA   TYR  72           HA       TYR  72   3.883  -2.302  -5.581
  742   1HB   TYR  72          2HB       TYR  72   4.554  -0.842  -7.392
  743   2HB   TYR  72          3HB       TYR  72   5.561  -2.088  -8.106
  744    HD1  TYR  72           HD2      TYR  72   2.315  -3.235  -6.829
  745    HD2  TYR  72           HD1      TYR  72   4.287  -1.562 -10.221
  746    HE1  TYR  72           HE2      TYR  72   0.493  -3.986  -8.272
  747    HE2  TYR  72           HE1      TYR  72   2.471  -2.360 -11.655
  748    HH   TYR  72           HH       TYR  72   0.463  -4.588 -11.029
  749    QB   TYR  72           QB       TYR  72   5.058  -1.465  -7.749
  750    QR   TYR  72           QR       TYR  72   2.392  -2.786  -9.244
  751    H    THR  73           HN       THR  73   6.365  -4.123  -7.371
  752    HA   THR  73           HA       THR  73   4.952  -6.417  -8.067
  753    HB   THR  73           HB       THR  73   7.395  -7.504  -7.543
  754    HG1  THR  73          1HG       THR  73   8.237  -5.889  -6.286
  755   1HG2  THR  73          2HG2      THR  73   7.075  -5.158  -9.478
  756   2HG2  THR  73          3HG2      THR  73   8.274  -6.440  -9.594
  757   3HG2  THR  73          1HG2      THR  73   6.570  -6.803  -9.855
  758    QG2  THR  73           QG2      THR  73   7.306  -6.133  -9.642
  759    H    ASP  74           HN       ASP  74   6.750  -5.861  -5.145
  760    HA   ASP  74           HA       ASP  74   6.140  -8.290  -3.799
  761   1HB   ASP  74          2HB       ASP  74   6.643  -5.635  -2.427
  762   2HB   ASP  74          3HB       ASP  74   7.110  -7.246  -1.885
  763    QB   ASP  74           QB       ASP  74   6.877  -6.440  -2.156
  764    H    PHE  75           HN       PHE  75   4.709  -5.036  -3.444
  765    HA   PHE  75           HA       PHE  75   2.698  -5.663  -1.621
  766   1HB   PHE  75          2HB       PHE  75   3.068  -3.375  -2.532
  767   2HB   PHE  75          3HB       PHE  75   2.374  -3.877  -4.068
  768    HD1  PHE  75          2HD       PHE  75   1.409  -4.291  -0.446
  769    HD2  PHE  75          1HD       PHE  75   0.177  -3.085  -4.345
  770    HE1  PHE  75          2HE       PHE  75  -0.854  -3.860   0.402
  771    HE2  PHE  75          1HE       PHE  75  -2.069  -2.605  -3.484
  772    HZ   PHE  75           HZ       PHE  75  -2.599  -3.010  -1.120
  773    QB   PHE  75           QB       PHE  75   2.721  -3.626  -3.300
  774    QR   PHE  75           QR       PHE  75  -0.334  -3.460  -1.968
  775    H    ALA  76           HN       ALA  76   2.444  -5.986  -5.171
  776    HA   ALA  76           HA       ALA  76  -0.206  -7.038  -5.230
  777   1HB   ALA  76          1HB       ALA  76   1.046  -6.440  -7.284
  778   2HB   ALA  76          2HB       ALA  76   2.122  -7.808  -7.034
  779   3HB   ALA  76          3HB       ALA  76   0.419  -8.082  -7.389
  780    QB   ALA  76           QB       ALA  76   1.195  -7.443  -7.236
  781    H    ALA  77           HN       ALA  77   2.857  -8.866  -5.226
  782    HA   ALA  77           HA       ALA  77   1.714 -11.454  -4.924
  783   1HB   ALA  77          2HB       ALA  77   4.130 -11.057  -5.419
  784   2HB   ALA  77          3HB       ALA  77   4.355 -10.414  -3.797
  785   3HB   ALA  77          1HB       ALA  77   3.935 -12.112  -4.022
  786    QB   ALA  77           QB       ALA  77   4.140 -11.194  -4.412
  787    CH2  TRP  78           CH2      TRP  78  -1.145  -6.947   3.587
  788    H    TRP  78           HN       TRP  78   2.961  -9.303  -2.365
  789    HA   TRP  78           HA       TRP  78   2.311 -10.869  -0.120
  790   1HB   TRP  78          2HB       TRP  78   3.514  -8.720   0.014
  791   2HB   TRP  78          3HB       TRP  78   2.075  -7.873  -0.447
  792    HD1  TRP  78           HD1      TRP  78   3.639  -9.593   2.648
  793    HE1  TRP  78           HE1      TRP  78   2.339  -8.930   4.699
  794    HE3  TRP  78           HE3      TRP  78  -0.074  -7.172   0.372
  795    HZ2  TRP  78           HZ2      TRP  78  -0.110  -7.700   5.300
  796    HZ3  TRP  78           HZ3      TRP  78  -1.933  -6.264   1.725
  797    HH2  TRP  78           HH2      TRP  78  -1.966  -6.544   4.162
  798    QB   TRP  78           QB       TRP  78   2.795  -8.296  -0.216
  799    H    VAL  79           HN       VAL  79   0.314  -8.411  -1.695
  800    HA   VAL  79           HA       VAL  79  -2.006  -8.569  -0.176
  801    HB   VAL  79           HB       VAL  79  -1.622  -8.166  -3.164
  802   1HG1  VAL  79          3HG1      VAL  79  -3.938  -9.034  -2.788
  803   2HG1  VAL  79          1HG1      VAL  79  -4.191  -7.794  -1.567
  804   3HG1  VAL  79          2HG1      VAL  79  -3.953  -7.339  -3.248
  805   1HG2  VAL  79          1HG2      VAL  79  -0.761  -6.402  -1.637
  806   2HG2  VAL  79          2HG2      VAL  79  -2.124  -5.816  -2.577
  807   3HG2  VAL  79          3HG2      VAL  79  -2.347  -6.277  -0.896
  808    QG1  VAL  79           QG1      VAL  79  -4.027  -8.056  -2.534
  809    QG2  VAL  79           QG2      VAL  79  -1.744  -6.165  -1.703
  810    QQG  VAL  79           QQG      VAL  79  -2.886  -7.110  -2.119
  811    H    LYS  80           HN       LYS  80  -1.378 -10.458  -3.104
  812    HA   LYS  80           HA       LYS  80  -3.652 -11.987  -3.185
  813   1HB   LYS  80          2HB       LYS  80  -1.373 -11.986  -4.589
  814   2HB   LYS  80          3HB       LYS  80  -1.081 -13.450  -3.670
  815   1HG   LYS  80          2HG       LYS  80  -3.835 -13.391  -4.649
  816   2HG   LYS  80          3HG       LYS  80  -2.716 -13.129  -5.976
  817   1HD   LYS  80          2HD       LYS  80  -3.051 -15.497  -5.843
  818   2HD   LYS  80          3HD       LYS  80  -1.444 -15.181  -5.214
  819   1HE   LYS  80          2HE       LYS  80  -2.612 -16.798  -3.791
  820   2HE   LYS  80          3HE       LYS  80  -2.298 -15.320  -2.909
  821   1HZ   LYS  80          1HZ       LYS  80  -4.828 -15.034  -4.086
  822   2HZ   LYS  80          2HZ       LYS  80  -4.776 -16.566  -3.364
  823   3HZ   LYS  80          3HZ       LYS  80  -4.436 -15.175  -2.461
  824    QB   LYS  80           QB       LYS  80  -1.227 -12.718  -4.130
  825    QG   LYS  80           QG       LYS  80  -3.276 -13.260  -5.312
  826    QD   LYS  80           QD       LYS  80  -2.247 -15.339  -5.528
  827    QE   LYS  80           QE       LYS  80  -2.455 -16.059  -3.350
  828    QZ   LYS  80           QZ       LYS  80  -4.680 -15.592  -3.304
  829    H    GLU  81           HN       GLU  81  -0.877 -12.848  -1.062
  830    HA   GLU  81           HA       GLU  81  -2.578 -15.097  -0.070
  831   1HB   GLU  81          2HB       GLU  81   0.346 -14.417   0.238
  832   2HB   GLU  81          3HB       GLU  81  -0.410 -15.542   1.353
  833   1HG   GLU  81          2HG       GLU  81   0.446 -16.929  -0.378
  834   2HG   GLU  81          3HG       GLU  81  -1.266 -16.804  -0.740
  835    QB   GLU  81           QB       GLU  81  -0.032 -14.980   0.795
  836    QG   GLU  81           QG       GLU  81  -0.410 -16.866  -0.559
  837    H    ASN  82           HN       ASN  82  -2.420 -11.971   0.763
  838    HA   ASN  82           HA       ASN  82  -2.785 -12.579   3.686
  839   1HB   ASN  82          2HB       ASN  82  -1.664 -10.140   2.283
  840   2HB   ASN  82          3HB       ASN  82  -2.235 -10.069   3.949
  841   1HD2  ASN  82          2HD2      ASN  82   1.178 -12.126   3.067
  842   2HD2  ASN  82          1HD2      ASN  82   0.164 -11.573   1.820
  843    QB   ASN  82           QB       ASN  82  -1.949 -10.104   3.116
  844    QD2  ASN  82           QD2      ASN  82   0.671 -11.849   2.443
  845    H    LEU  83           HN       LEU  83  -3.950 -10.698   0.971
  846    HA   LEU  83           HA       LEU  83  -6.435 -10.091   2.516
  847   1HB   LEU  83          2HB       LEU  83  -5.365  -8.684   0.080
  848   2HB   LEU  83          3HB       LEU  83  -6.691  -8.144   1.100
  849    HG   LEU  83           HG       LEU  83  -3.786  -8.407   1.971
  850   1HD1  LEU  83          3HD1      LEU  83  -5.534  -5.980   1.453
  851   2HD1  LEU  83          1HD1      LEU  83  -3.905  -5.942   2.112
  852   3HD1  LEU  83          2HD1      LEU  83  -4.171  -6.506   0.472
  853   1HD2  LEU  83          1HD2      LEU  83  -6.221  -7.357   3.469
  854   2HD2  LEU  83          2HD2      LEU  83  -5.364  -8.853   3.827
  855   3HD2  LEU  83          3HD2      LEU  83  -4.559  -7.307   4.053
  856    QB   LEU  83           QB       LEU  83  -6.028  -8.414   0.590
  857    QD1  LEU  83           QD1      LEU  83  -4.537  -6.143   1.346
  858    QD2  LEU  83           QD2      LEU  83  -5.382  -7.839   3.783
  859    QQD  LEU  83           QQD      LEU  83  -4.959  -6.991   2.565
  860    H    ASP  84           HN       ASP  84  -6.017 -12.555   1.067
  861    HA   ASP  84           HA       ASP  84  -7.856 -12.210  -1.239
  862   1HB   ASP  84          2HB       ASP  84  -5.640 -13.925  -0.703
  863   2HB   ASP  84          3HB       ASP  84  -7.043 -14.951  -0.894
  864    QB   ASP  84           QB       ASP  84  -6.342 -14.438  -0.798
  865    H    ALA  85           HN       ALA  85  -8.843 -11.831   1.322
  866    HA   ALA  85           HA       ALA  85 -10.941 -13.904   1.428
  867   1HB   ALA  85          1HB       ALA  85  -9.283 -14.498   3.171
  868   2HB   ALA  85          2HB       ALA  85  -9.408 -12.878   3.850
  869   3HB   ALA  85          3HB       ALA  85 -10.793 -13.959   3.901
  870    QB   ALA  85           QB       ALA  85  -9.828 -13.778   3.641
   
  Start of MODEL          16
 Raw file had 870 H/Q atoms
  Start of MODEL   16
    1    H    MET   1           HN       MET   1  -6.856  -3.938   9.169
    2    HA   MET   1           HA       MET   1  -4.804  -3.820   8.195
    3   1HB   MET   1          2HB       MET   1  -5.828  -5.573   6.672
    4   2HB   MET   1          3HB       MET   1  -6.278  -4.280   5.572
    5   1HG   MET   1          2HG       MET   1  -4.161  -5.300   4.884
    6   2HG   MET   1          3HG       MET   1  -3.931  -3.626   5.319
    7   1HE   MET   1          3HE       MET   1  -3.831  -7.146   6.174
    8   2HE   MET   1          1HE       MET   1  -2.332  -7.416   7.049
    9   3HE   MET   1          2HE       MET   1  -3.791  -6.952   7.926
   10    QB   MET   1           QB       MET   1  -6.053  -4.926   6.122
   11    QG   MET   1           QG       MET   1  -4.046  -4.463   5.101
   12    QE   MET   1           QE       MET   1  -3.318  -7.171   7.050
   13    H    GLN   2           HN       GLN   2  -3.605  -2.010   7.742
   14    HA   GLN   2           HA       GLN   2  -4.884   0.151   6.186
   15   1HB   GLN   2          2HB       GLN   2  -3.159   0.120   8.659
   16   2HB   GLN   2          3HB       GLN   2  -3.225   1.540   7.651
   17   1HG   GLN   2          2HG       GLN   2  -5.694   0.171   8.774
   18   2HG   GLN   2          3HG       GLN   2  -4.896   1.514   9.574
   19   1HE2  GLN   2          2HE2      GLN   2  -5.899   3.121   6.088
   20   2HE2  GLN   2          1HE2      GLN   2  -4.517   2.171   6.323
   21    QB   GLN   2           QB       GLN   2  -3.192   0.830   8.155
   22    QG   GLN   2           QG       GLN   2  -5.295   0.842   9.174
   23    QE2  GLN   2           QE2      GLN   2  -5.208   2.646   6.205
   24    H    THR   3           HN       THR   3  -3.831   0.355   4.268
   25    HA   THR   3           HA       THR   3  -0.944  -0.479   4.099
   26    HB   THR   3           HB       THR   3  -2.988  -0.287   1.832
   27    HG1  THR   3          1HG       THR   3  -3.843  -1.832   2.995
   28   1HG2  THR   3          2HG2      THR   3  -0.505  -0.614   1.232
   29   2HG2  THR   3          3HG2      THR   3  -0.528  -2.065   2.227
   30   3HG2  THR   3          1HG2      THR   3  -1.529  -1.970   0.784
   31    QG2  THR   3           QG2      THR   3  -0.854  -1.550   1.414
   32    H    VAL   4           HN       VAL   4   0.549   1.041   3.488
   33    HA   VAL   4           HA       VAL   4  -0.511   3.571   2.301
   34    HB   VAL   4           HB       VAL   4   1.526   3.302   4.528
   35   1HG1  VAL   4          1HG1      VAL   4   0.530   5.780   3.057
   36   2HG1  VAL   4          2HG1      VAL   4   1.556   5.800   4.484
   37   3HG1  VAL   4          3HG1      VAL   4   2.163   5.127   2.977
   38   1HG2  VAL   4          1HG2      VAL   4  -1.253   4.545   4.413
   39   2HG2  VAL   4          2HG2      VAL   4  -0.829   3.059   5.253
   40   3HG2  VAL   4          3HG2      VAL   4  -0.182   4.597   5.810
   41    QG1  VAL   4           QG1      VAL   4   1.416   5.569   3.506
   42    QG2  VAL   4           QG2      VAL   4  -0.755   4.067   5.159
   43    QQG  VAL   4           QQG      VAL   4   0.331   4.818   4.332
   44    H    ILE   5           HN       ILE   5   0.727   4.651   0.904
   45    HA   ILE   5           HA       ILE   5   3.162   3.250  -0.157
   46    HB   ILE   5           HB       ILE   5   1.403   5.266  -1.627
   47   1HG1  ILE   5          2HG1      ILE   5   0.811   3.130  -3.029
   48   2HG1  ILE   5          3HG1      ILE   5   1.246   2.253  -1.572
   49   1HG2  ILE   5          1HG2      ILE   5   3.566   3.361  -2.575
   50   2HG2  ILE   5          2HG2      ILE   5   2.608   4.409  -3.622
   51   3HG2  ILE   5          3HG2      ILE   5   3.710   5.111  -2.442
   52   1HD1  ILE   5          2HD1      ILE   5  -0.411   3.593  -0.284
   53   2HD1  ILE   5          3HD1      ILE   5  -0.835   4.455  -1.756
   54   3HD1  ILE   5          1HD1      ILE   5  -1.177   2.732  -1.606
   55    QG1  ILE   5           QG1      ILE   5   1.029   2.692  -2.301
   56    QG2  ILE   5           QG2      ILE   5   3.295   4.294  -2.880
   57    QD1  ILE   5           QD1      ILE   5  -0.808   3.593  -1.215
   58    H    PHE   6           HN       PHE   6   5.024   4.390   0.027
   59    HA   PHE   6           HA       PHE   6   4.815   7.297   0.731
   60   1HB   PHE   6          2HB       PHE   6   6.794   5.194   1.644
   61   2HB   PHE   6          3HB       PHE   6   7.077   6.906   1.873
   62    HD1  PHE   6          2HD       PHE   6   5.017   4.029   2.896
   63    HD2  PHE   6          1HD       PHE   6   5.705   8.193   3.481
   64    HE1  PHE   6          2HE       PHE   6   3.704   3.956   4.961
   65    HE2  PHE   6          1HE       PHE   6   4.358   8.108   5.533
   66    HZ   PHE   6           HZ       PHE   6   3.391   5.994   6.297
   67    QB   PHE   6           QB       PHE   6   6.935   6.050   1.758
   68    QR   PHE   6           QR       PHE   6   4.696   6.071   4.218
   69    H    GLY   7           HN       GLY   7   5.539   8.573  -0.816
   70   1HA   GLY   7          1HA       GLY   7   7.946   8.984  -1.893
   71   2HA   GLY   7          2HA       GLY   7   7.543   7.527  -2.774
   72    QA   GLY   7           QA       GLY   7   7.744   8.255  -2.334
   73    NH1  ARG   8           NH1      ARG   8   7.242   9.724  -9.235
   74    NH2  ARG   8           NH2      ARG   8   7.097  11.952  -9.629
   75    H    ARG   8           HN       ARG   8   7.727   8.751  -4.706
   76    HA   ARG   8           HA       ARG   8   5.549  10.730  -5.200
   77   1HB   ARG   8          2HB       ARG   8   6.972  11.374  -7.198
   78   2HB   ARG   8          3HB       ARG   8   7.686  11.723  -5.639
   79   1HG   ARG   8          2HG       ARG   8   9.150   9.828  -5.750
   80   2HG   ARG   8          3HG       ARG   8   8.317   9.147  -7.127
   81   1HD   ARG   8          2HD       ARG   8   9.816  11.794  -7.168
   82   2HD   ARG   8          3HD       ARG   8  10.516  10.267  -7.664
   83    HE   ARG   8           HE       ARG   8   9.689  11.267  -9.725
   84   1HH1  ARG   8          2HH1      ARG   8   7.795   8.934  -8.972
   85   2HH1  ARG   8          1HH1      ARG   8   6.256   9.603  -9.415
   86   1HH2  ARG   8          2HH2      ARG   8   7.532  12.850  -9.653
   87   2HH2  ARG   8          1HH2      ARG   8   6.127  11.866  -9.861
   88    QB   ARG   8           QB       ARG   8   7.329  11.549  -6.418
   89    QG   ARG   8           QG       ARG   8   8.734   9.487  -6.438
   90    QD   ARG   8           QD       ARG   8  10.166  11.030  -7.416
   91    QH1  ARG   8           QH1      ARG   8   7.026   9.268  -9.193
   92    QH2  ARG   8           QH2      ARG   8   6.830  12.358  -9.757
   93    H    SER   9           HN       SER   9   3.846   9.665  -5.974
   94    HA   SER   9           HA       SER   9   4.078   7.282  -7.610
   95   1HB   SER   9          2HB       SER   9   2.197   7.780  -5.957
   96   2HB   SER   9          3HB       SER   9   1.586   8.969  -7.127
   97    HG   SER   9           HG       SER   9   1.490   6.252  -7.211
   98    QB   SER   9           QB       SER   9   1.892   8.374  -6.542
   99    H    GLY  10           HN       GLY  10   1.866   7.851  -9.346
  100   1HA   GLY  10          1HA       GLY  10   1.341   9.063 -11.365
  101   2HA   GLY  10          2HA       GLY  10   2.858   9.949 -11.198
  102    QA   GLY  10           QA       GLY  10   2.100   9.506 -11.282
  103    H    CYS  11           HN       CYS  11   2.822   6.521 -10.788
  104    HA   CYS  11           HA       CYS  11   3.786   6.064 -13.554
  105   1HB   CYS  11          2HB       CYS  11   5.251   5.151 -11.072
  106   2HB   CYS  11          3HB       CYS  11   5.741   4.870 -12.718
  107    HG   CYS  11           HG       CYS  11   6.159   7.487 -11.164
  108    QB   CYS  11           QB       CYS  11   5.496   5.011 -11.895
  109    HA   PRO  12           HA       PRO  12   1.258   2.557 -13.239
  110   1HB   PRO  12          2HB       PRO  12   2.334   0.923 -15.176
  111   2HB   PRO  12          3HB       PRO  12   1.461   2.417 -15.542
  112   1HG   PRO  12          2HG       PRO  12   4.430   1.913 -15.500
  113   2HG   PRO  12          3HG       PRO  12   3.492   2.935 -16.596
  114   1HD   PRO  12          2HD       PRO  12   4.947   3.908 -14.432
  115   2HD   PRO  12          3HD       PRO  12   3.563   4.758 -15.157
  116    QB   PRO  12           QB       PRO  12   1.897   1.670 -15.359
  117    QG   PRO  12           QG       PRO  12   3.961   2.424 -16.048
  118    QD   PRO  12           QD       PRO  12   4.255   4.333 -14.794
  119    OH   TYR  13           OH       TYR  13   7.769  -3.149  -7.037
  120    H    TYR  13           HN       TYR  13   3.540   2.513 -11.399
  121    HA   TYR  13           HA       TYR  13   3.739  -0.435 -10.963
  122   1HB   TYR  13          2HB       TYR  13   5.942   0.527 -11.641
  123   2HB   TYR  13          3HB       TYR  13   5.849   1.671 -10.307
  124    HD1  TYR  13           HD2      TYR  13   6.114  -1.969 -11.116
  125    HD2  TYR  13           HD1      TYR  13   6.346   0.994  -8.081
  126    HE1  TYR  13           HE2      TYR  13   7.108  -3.611  -9.577
  127    HE2  TYR  13           HE1      TYR  13   7.372  -0.610  -6.586
  128    HH   TYR  13           HH       TYR  13   7.731  -4.046  -7.403
  129    QB   TYR  13           QB       TYR  13   5.895   1.099 -10.974
  130    QR   TYR  13           QR       TYR  13   6.735  -1.299  -8.840
  131    H    CYS  14           HN       CYS  14   4.307   2.636  -9.164
  132    HA   CYS  14           HA       CYS  14   3.192   1.399  -6.747
  133   1HB   CYS  14          2HB       CYS  14   3.970   4.275  -7.284
  134   2HB   CYS  14          3HB       CYS  14   3.461   3.659  -5.731
  135    HG   CYS  14           HG       CYS  14   6.224   3.206  -7.007
  136    QB   CYS  14           QB       CYS  14   3.716   3.967  -6.508
  137    H    VAL  15           HN       VAL  15   2.024   3.508  -9.327
  138    HA   VAL  15           HA       VAL  15  -0.363   4.384  -8.008
  139    HB   VAL  15           HB       VAL  15   0.192   3.835 -10.954
  140   1HG1  VAL  15          2HG1      VAL  15  -2.166   5.256  -9.647
  141   2HG1  VAL  15          3HG1      VAL  15  -1.863   5.160 -11.379
  142   3HG1  VAL  15          1HG1      VAL  15  -2.245   3.702 -10.473
  143   1HG2  VAL  15          1HG2      VAL  15   1.518   5.650  -9.897
  144   2HG2  VAL  15          2HG2      VAL  15   0.378   6.288 -11.077
  145   3HG2  VAL  15          3HG2      VAL  15   0.029   6.414  -9.354
  146    QG1  VAL  15           QG1      VAL  15  -2.091   4.706 -10.500
  147    QG2  VAL  15           QG2      VAL  15   0.642   6.118 -10.109
  148    QQG  VAL  15           QQG      VAL  15  -0.725   5.412 -10.304
  149    NH1  ARG  16           NH2      ARG  16  -3.506  -2.837 -10.637
  150    NH2  ARG  16           NH1      ARG  16  -5.261  -1.565 -11.324
  151    H    ARG  16           HN       ARG  16   0.347   1.591 -10.071
  152    HA   ARG  16           HA       ARG  16  -2.223   0.413  -9.910
  153   1HB   ARG  16          2HB       ARG  16   0.522  -0.790 -10.301
  154   2HB   ARG  16          3HB       ARG  16  -0.942  -1.750 -10.356
  155   1HG   ARG  16          2HG       ARG  16  -0.840   0.733 -12.017
  156   2HG   ARG  16          3HG       ARG  16   0.037  -0.682 -12.581
  157   1HD   ARG  16          2HD       ARG  16  -2.374  -0.461 -13.410
  158   2HD   ARG  16          3HD       ARG  16  -1.973  -2.002 -12.663
  159    HE   ARG  16           HE       ARG  16  -3.377   0.161 -11.117
  160   1HH1  ARG  16          2HH2      ARG  16  -2.515  -2.957 -10.506
  161   2HH1  ARG  16          1HH2      ARG  16  -4.124  -3.576 -10.365
  162   1HH2  ARG  16          1HH1      ARG  16  -5.598  -0.698 -11.702
  163   2HH2  ARG  16          2HH1      ARG  16  -5.908  -2.291 -11.094
  164    QB   ARG  16           QB       ARG  16  -0.210  -1.270 -10.328
  165    QG   ARG  16           QG       ARG  16  -0.402   0.025 -12.299
  166    QD   ARG  16           QD       ARG  16  -2.174  -1.231 -13.037
  167    QH1  ARG  16           QH2      ARG  16  -3.320  -3.266 -10.436
  168    QH2  ARG  16           QH1      ARG  16  -5.753  -1.494 -11.398
  169    H    ALA  17           HN       ALA  17   0.394   0.471  -7.651
  170    HA   ALA  17           HA       ALA  17  -0.703  -1.593  -5.946
  171   1HB   ALA  17          3HB       ALA  17   1.671  -0.783  -5.745
  172   2HB   ALA  17          1HB       ALA  17   1.061   0.752  -5.136
  173   3HB   ALA  17          2HB       ALA  17   0.789  -0.731  -4.225
  174    QB   ALA  17           QB       ALA  17   1.174  -0.254  -5.035
  175    H    LYS  18           HN       LYS  18  -0.820   1.983  -5.947
  176    HA   LYS  18           HA       LYS  18  -2.642   2.337  -3.823
  177   1HB   LYS  18          2HB       LYS  18  -1.721   4.301  -5.110
  178   2HB   LYS  18          3HB       LYS  18  -2.766   3.862  -6.465
  179   1HG   LYS  18          2HG       LYS  18  -4.359   3.977  -4.031
  180   2HG   LYS  18          3HG       LYS  18  -3.421   5.454  -4.168
  181   1HD   LYS  18          2HD       LYS  18  -5.489   5.882  -5.295
  182   2HD   LYS  18          3HD       LYS  18  -4.293   5.659  -6.565
  183   1HE   LYS  18          2HE       LYS  18  -5.025   3.342  -6.880
  184   2HE   LYS  18          3HE       LYS  18  -6.155   3.484  -5.549
  185   1HZ   LYS  18          1HZ       LYS  18  -6.612   5.524  -7.454
  186   2HZ   LYS  18          2HZ       LYS  18  -6.589   3.992  -8.219
  187   3HZ   LYS  18          3HZ       LYS  18  -7.666   4.309  -6.916
  188    QB   LYS  18           QB       LYS  18  -2.244   4.082  -5.788
  189    QG   LYS  18           QG       LYS  18  -3.890   4.715  -4.100
  190    QD   LYS  18           QD       LYS  18  -4.891   5.771  -5.930
  191    QE   LYS  18           QE       LYS  18  -5.590   3.413  -6.214
  192    QZ   LYS  18           QZ       LYS  18  -6.956   4.608  -7.530
  193    H    ASP  19           HN       ASP  19  -3.293   1.580  -7.230
  194    HA   ASP  19           HA       ASP  19  -6.116   1.357  -7.017
  195   1HB   ASP  19          2HB       ASP  19  -4.220  -0.228  -8.787
  196   2HB   ASP  19          3HB       ASP  19  -5.955  -0.179  -8.991
  197    QB   ASP  19           QB       ASP  19  -5.087  -0.203  -8.889
  198    H    LEU  20           HN       LEU  20  -3.823  -1.386  -6.992
  199    HA   LEU  20           HA       LEU  20  -5.598  -3.379  -6.217
  200   1HB   LEU  20          2HB       LEU  20  -3.231  -3.786  -6.754
  201   2HB   LEU  20          3HB       LEU  20  -2.739  -2.987  -5.274
  202    HG   LEU  20           HG       LEU  20  -3.911  -4.734  -3.940
  203   1HD1  LEU  20          2HD1      LEU  20  -4.450  -5.991  -6.664
  204   2HD1  LEU  20          3HD1      LEU  20  -4.752  -6.763  -5.110
  205   3HD1  LEU  20          1HD1      LEU  20  -5.669  -5.336  -5.571
  206   1HD2  LEU  20          3HD2      LEU  20  -2.009  -5.835  -6.042
  207   2HD2  LEU  20          1HD2      LEU  20  -1.531  -5.058  -4.538
  208   3HD2  LEU  20          2HD2      LEU  20  -2.373  -6.603  -4.498
  209    QB   LEU  20           QB       LEU  20  -2.985  -3.387  -6.014
  210    QD1  LEU  20           QD1      LEU  20  -4.957  -6.030  -5.782
  211    QD2  LEU  20           QD2      LEU  20  -1.971  -5.832  -5.026
  212    QQD  LEU  20           QQD      LEU  20  -3.464  -5.931  -5.404
  213    H    ALA  21           HN       ALA  21  -3.835  -1.186  -4.071
  214    HA   ALA  21           HA       ALA  21  -4.884  -2.202  -1.616
  215   1HB   ALA  21          2HB       ALA  21  -2.901  -0.696  -1.758
  216   2HB   ALA  21          3HB       ALA  21  -3.954   0.616  -2.271
  217   3HB   ALA  21          1HB       ALA  21  -4.115  -0.057  -0.655
  218    QB   ALA  21           QB       ALA  21  -3.657  -0.046  -1.561
  219    H    GLU  22           HN       GLU  22  -5.919   0.468  -3.691
  220    HA   GLU  22           HA       GLU  22  -8.178   1.288  -2.163
  221   1HB   GLU  22          2HB       GLU  22  -7.087   2.511  -4.057
  222   2HB   GLU  22          3HB       GLU  22  -7.748   1.333  -5.170
  223   1HG   GLU  22          2HG       GLU  22  -9.992   2.046  -4.768
  224   2HG   GLU  22          3HG       GLU  22  -9.517   2.981  -3.350
  225    QB   GLU  22           QB       GLU  22  -7.418   1.922  -4.614
  226    QG   GLU  22           QG       GLU  22  -9.755   2.514  -4.059
  227    H    LYS  23           HN       LYS  23  -7.720  -1.140  -4.622
  228    HA   LYS  23           HA       LYS  23 -10.410  -1.960  -4.999
  229   1HB   LYS  23          2HB       LYS  23  -8.585  -2.770  -6.471
  230   2HB   LYS  23          3HB       LYS  23  -7.845  -3.614  -5.125
  231   1HG   LYS  23          2HG       LYS  23 -10.256  -4.758  -4.951
  232   2HG   LYS  23          3HG       LYS  23 -10.330  -4.298  -6.642
  233   1HD   LYS  23          2HD       LYS  23  -8.368  -5.573  -7.188
  234   2HD   LYS  23          3HD       LYS  23  -7.947  -5.790  -5.493
  235   1HE   LYS  23          2HE       LYS  23 -10.428  -6.925  -6.834
  236   2HE   LYS  23          3HE       LYS  23  -8.971  -7.840  -6.455
  237   1HZ   LYS  23          3HZ       LYS  23  -9.822  -6.516  -4.125
  238   2HZ   LYS  23          1HZ       LYS  23 -11.162  -7.277  -4.798
  239   3HZ   LYS  23          2HZ