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

HEADER    NMR DATA FOR 1EGO                       19-AUG-91   0EGO      0EGO   3
REMARK   1                                                              0EGO   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   0EGO   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF OXIDIZED E. COLI       0EGO  10
REMARK   1 GLUTAREDOXIN BY NUCLEAR MAGNETIC RESONANCE IN SOLUTION.      0EGO  11
REMARK   1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING  0EGO  12
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     0EGO  13
REMARK   1 REMARK 2 FOR THE DETAILS.                                    0EGO  14
REMARK   1                                                              0EGO  15
REMARK   1 RECORD CONTENT                                     UNIT      0EGO  16
REMARK   1 ------ ------------------------------------------- --------- 0EGO  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       0EGO  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     0EGO  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            0EGO  21
REMARK   1 HBUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  22
REMARK   1        FOR HYDROGEN BONDS (NOT USED HERE)                    0EGO  23
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  24
REMARK   1        FOR DISULPHIDE BRIDGES                                0EGO  25
REMARK   1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  26
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            0EGO  27
REMARK   1        (NOT USED HERE)                                       0EGO  28
REMARK   1 HBLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  29
REMARK   1        FOR HYDROGEN BONDS (NOT USED HERE)                    0EGO  30
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 0EGO  31
REMARK   1        FOR DISULPHIDE BRIDGES                                0EGO  32
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   0EGO  33
REMARK   1        AN ALLOWED INTERVAL                                   0EGO  34
REMARK   1                                                              0EGO  35
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 0EGO  36
REMARK   1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM      0EGO  37
REMARK   1 DIANA AND REFINEMENT WITH X-PLOR IS GIVEN IN THE RECORDS     0EGO  38
REMARK   1 NOEUPP, HBUPP, SSUPP, HBLOW, SSLOW AND ANGLE.                0EGO  38
REMARK   2                                                              0EGO  40
REMARK   2                                                              0EGO  41
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        0EGO  42
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     0EGO  43
REMARK   2 MASTER RECORD.                                               0EGO  44
REMARK   2                                                              0EGO  45
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             0EGO  46
REMARK   2 ------ ----------------------------------------------------- 0EGO  47
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     0EGO  48
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    0EGO  49
REMARK   2        CHEMICAL SHIFT(S)                                     0EGO  50
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 0EGO  51
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   0EGO  52
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      0EGO  53
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      0EGO  54
REMARK   2        NAME, J-COUPLING CONSTANT                             0EGO  55
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            0EGO  56
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  0EGO  57
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     0EGO  58
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    0EGO  59
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     0EGO  60
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                0EGO  61
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   0EGO  62
REMARK   2 HBUPP  SIMILAR TO NOEUPP                                     0EGO  63
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     0EGO  64
REMARK   2 NOELOW SIMILAR TO NOEUPP, BUT WITH LOWER DISTANCE LIMITS     0EGO  65
REMARK   2 HBLOW  SIMILAR TO NOELOW                                     0EGO  66
REMARK   2 SSLOW  SIMILAR TO NOELOW                                     0EGO  67
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   0EGO  68
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        0EGO  69
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  0EGO  70
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   0EGO  71
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   0EGO  72
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  0EGO  73
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      0EGO  74
REMARK   2        RECORDS                                               0EGO  75
REMARK   2        ('MASTER',4X,7I5)                                     0EGO  76
REMARK   3                                                              0EGO  77
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  0EGO  78
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     0EGO  79
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         0EGO  80
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  0EGO  81
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   0EGO  82
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    0EGO  83
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            0EGO  84
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       0EGO  85
REMARK   3 ORDINATE FILE 0EGO.                                          0EGO  86
REMARK   4                                                              0EGO  87
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     0EGO  88
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                0EGO  89
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    0EGO  90
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     0EGO  91
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     0EGO  92
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       0EGO  93
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  0EGO  94
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          0EGO  95
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        0EGO  96
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             0EGO  97
REMARK   5                                                              0EGO  98
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         0EGO  99
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         0EGO 100
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         0EGO 101
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    0EGO 102
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  0EGO 103
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      0EGO 104
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                0EGO 105
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       0EGO 106
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 0EGO 107
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      0EGO 108
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. IN THE CASE  0EGO 109
REMARK   5 THE DELTA AND EPSILON PROTONS OF THE AROMATIC RINGS          0EGO 110
REMARK   5 ARE DEGENERATE, THE CHEMICAL SHIFTS ARE LISTED UNDER CG      0EGO 111
REMARK   5 AND CZ, RESPECTIVELY.                                        0EGO 112
REMARK   5                                                              0EGO 113
SHIFTS  MET    1   HA   4.93        2HB   2.62        3HB   2.70        0EGO   8
SHIFTS  MET    1  2HG   1.57        3HG   1.47         QE   2.32        0EGO   9
SHIFTS  GLN    2   HN   9.25         HA   4.68        2HB   2.03        0EGO  10
SHIFTS  GLN    2  3HB   1.88        2HG   2.09        3HG   2.34        0EGO  11
SHIFTS  THR    3   HN   8.71         HA   5.17         HB   3.75        0EGO  12
SHIFTS  THR    3   QG2  0.87                                            0EGO  13
SHIFTS  VAL    4   HN   9.38         HA   4.70         HB   1.71        0EGO  14
SHIFTS  VAL    4   QG1  0.18         QG2  0.65                          0EGO  15
SHIFTS  ILE    5   HN   8.44         HA   4.44         HB   1.86        0EGO  16
SHIFTS  ILE    5   QG2  0.81        2HG1  0.74        3HG1  0.67        0EGO  17
SHIFTS  ILE    5   QD1  0.49                                            0EGO  18
SHIFTS  PHE    6   HN   9.21         HA   4.97        2HB   2.74        0EGO  19
SHIFTS  PHE    6  3HB   3.11         CG   7.12         CZ   6.95        0EGO  20
SHIFTS  GLY    7   HN   8.93        1HA   3.71        2HA   4.60        0EGO  21
SHIFTS  ARG    8   HN   7.47         HA   4.88        2HB   2.04        0EGO  22
SHIFTS  ARG    8  3HB   2.16        2HG   1.59        3HG   1.77        0EGO  23
SHIFTS  ARG    8  1HH1  7.12        2HH1  6.68                          0EGO  24
SHIFTS  SER    9   HN   8.99         HA   4.46         QB   4.01        0EGO  25
SHIFTS  GLY   10  1HA   4.23        2HA   3.50                          0EGO  26
SHIFTS  CYS   11   HN   8.60         HA   5.16        2HB   3.43        0EGO  27
SHIFTS  CYS   11  3HB   3.59                                            0EGO  28
SHIFTS  PRO   12   HA   4.34        2HB   2.17        3HB   2.33        0EGO  29
SHIFTS  PRO   12  2HG   1.96        3HG   2.09        2HD   3.74        0EGO  30
SHIFTS  PRO   12  3HD   3.90                                            0EGO  31
SHIFTS  TYR   13   HN   8.87         HA   4.15        2HB   3.29        0EGO  32
SHIFTS  TYR   13  3HB   3.05         CG   7.08         CZ   6.91        0EGO  33
SHIFTS  CYS   14   HN   8.86         HA   4.43        3HB   3.36        0EGO  34
SHIFTS  VAL   15   HN   7.42         HA   3.54         HB   2.17        0EGO  35
SHIFTS  VAL   15   QG1  0.91         QG2  1.05                          0EGO  36
SHIFTS  ARG   16   HN   7.67         HA   4.04        2HB   1.13        0EGO  37
SHIFTS  ARG   16  3HB   1.24        2HG   1.46        3HG   1.56        0EGO  38
SHIFTS  ARG   16  1HH1  6.77        2HH1  6.69                          0EGO  39
SHIFTS  ALA   17   HN   8.04         HA   4.36         QB   1.75        0EGO  40
SHIFTS  LYS   18   HN   8.00         HA   3.59        2HB   1.93        0EGO  41
SHIFTS  LYS   18  3HB   1.71        2HG   1.49        3HG   1.26        0EGO  42
SHIFTS  LYS   18  2HD   1.04        3HD   1.24         QE   2.72        0EGO  43
SHIFTS  ASP   19   HN   8.81         HA   4.30        2HB   2.71        0EGO  44
SHIFTS  ASP   19  3HB   2.54                                            0EGO  45
SHIFTS  LEU   20   HN   7.80         HA   4.28        2HB   1.82        0EGO  46
SHIFTS  LEU   20  3HB   2.16         HG   1.36         QD1  0.62        0EGO  47
SHIFTS  LEU   20   QD2  0.89                                            0EGO  48
SHIFTS  ALA   21   HN   8.19         HA   3.99         QB   1.03        0EGO  49
SHIFTS  GLU   22   HN   8.72         HA   4.03        2HB   2.16        0EGO  50
SHIFTS  GLU   22  3HB   2.07        2HG   2.35        3HG   2.27        0EGO  51
SHIFTS  LYS   23   HN   7.80         HA   4.06        2HB   1.91        0EGO  52
SHIFTS  LYS   23  3HB   2.04        2HG   1.22        2HD   1.52        0EGO  53
SHIFTS  LYS   23  3HD   1.66        2HE   2.92        3HE   2.87        0EGO  54
SHIFTS  LEU   24   HN   8.02         HA   3.78        2HB   1.14        0EGO  55
SHIFTS  LEU   24  3HB   0.01         HG   1.52         QD1  0.53        0EGO  56
SHIFTS  LEU   24   QD2  0.36                                            0EGO  57
SHIFTS  SER   25   HN   8.46         HA   4.82        2HB   4.50        0EGO  58
SHIFTS  SER   25  3HB   4.39                                            0EGO  59
SHIFTS  ASN   26   HN   7.70         HA   4.84        2HB   2.77        0EGO  60
SHIFTS  ASN   26  3HB   2.92        1HD2  7.49        2HD2  7.09        0EGO  61
SHIFTS  GLU   27   HN   7.87         HA   4.39        2HB   2.00        0EGO  62
SHIFTS  GLU   27  3HB   2.09        2HG   2.29        3HG   2.48        0EGO  63
SHIFTS  ARG   28   HN   8.00         HA   4.77        2HB   1.96        0EGO  64
SHIFTS  ARG   28  3HB   2.30        2HG   1.64        3HG   1.69        0EGO  65
SHIFTS  ARG   28  2HD   3.39        3HD   2.79         HE   9.22        0EGO  66
SHIFTS  ARG   28  1HH1  7.01                                            0EGO  67
SHIFTS  ASP   29   HN   8.60         HA   4.77        2HB   2.66        0EGO  68
SHIFTS  ASP   29  3HB   2.81                                            0EGO  69
SHIFTS  ASP   30   HN   8.37         HA   4.70        2HB   2.59        0EGO  70
SHIFTS  ASP   30  3HB   3.06                                            0EGO  71
SHIFTS  PHE   31   HN   8.06         HA   4.93        2HB   3.27        0EGO  72
SHIFTS  PHE   31  3HB   2.69         CG   7.26         CZ   7.44        0EGO  73
SHIFTS  GLN   32   HN   7.97         HA   4.97        2HB   1.96        0EGO  74
SHIFTS  GLN   32  3HB   2.13        2HG   2.29        3HG   2.39        0EGO  75
SHIFTS  GLN   32  1HE2  7.51        2HE2  6.99                          0EGO  76
SHIFTS  TYR   33   HN   8.99         HA   5.96        2HB   2.73        0EGO  77
SHIFTS  TYR   33  3HB   2.68         CG   6.85         CZ   6.80        0EGO  78
SHIFTS  GLN   34   HN   8.43         HA   4.22        2HB   1.70        0EGO  79
SHIFTS  GLN   34  3HB   1.80        2HG   2.00        3HG   2.15        0EGO  80
SHIFTS  GLN   34  1HE2  7.26        2HE2  6.59                          0EGO  81
SHIFTS  TYR   35   HN   9.03         HA   5.14        2HB   2.67        0EGO  82
SHIFTS  TYR   35  3HB   3.15         CG   6.86         CZ   6.60        0EGO  83
SHIFTS  VAL   36   HN   8.71         HA   3.87         HB   1.40        0EGO  84
SHIFTS  VAL   36   QG1  0.71         QG2  0.30                          0EGO  85
SHIFTS  ASP   37   HN   8.72         HA   4.68        2HB   3.10        0EGO  86
SHIFTS  ASP   37  3HB   2.55                                            0EGO  87
SHIFTS  ILE   38   HN   9.23         HA   3.88         HB   2.52        0EGO  88
SHIFTS  ILE   38   QG2  1.16        2HG1  1.38        3HG1  1.60        0EGO  89
SHIFTS  ILE   38   QD1  0.76                                            0EGO  90
SHIFTS  ARG   39   HN   7.95         HA   4.29        2HB   2.02        0EGO  91
SHIFTS  ARG   39  3HB   2.01        2HG   1.75        3HG   1.66        0EGO  92
SHIFTS  ARG   39   QD   3.29         QH2  1.55                          0EGO  93
SHIFTS  ALA   40   HN   7.89         HA   4.12         QB   1.55        0EGO  94
SHIFTS  GLU   41   HN   7.82         HA   4.41        2HB   1.61        0EGO  95
SHIFTS  GLU   41  3HB   2.27         QG   2.36                          0EGO  96
SHIFTS  GLY   42   HN   7.49        1HA   4.70        2HA   3.87        0EGO  97
SHIFTS  ILE   43   HN   8.24         HA   4.26         HB   1.60        0EGO  98
SHIFTS  ILE   43   QG2  0.76        2HG1  1.46        3HG1  1.12        0EGO  99
SHIFTS  ILE   43   QD1  0.84                                            0EGO 100
SHIFTS  THR   44   HN   8.87         HA   4.53         HB   4.67        0EGO 101
SHIFTS  THR   44   QG2  1.24                                            0EGO 102
SHIFTS  LYS   45   HN   8.87         HA   3.69        2HB   1.68        0EGO 103
SHIFTS  LYS   45  3HB   1.78                                            0EGO 104
SHIFTS  GLU   46   HN   8.57         HA   3.86        2HB   1.85        0EGO 105
SHIFTS  GLU   46  3HB   2.01        2HG   2.16        3HG   2.40        0EGO 106
SHIFTS  ASP   47   HN   7.81         HA   4.24        2HB   2.45        0EGO 107
SHIFTS  ASP   47  3HB   3.02                                            0EGO 108
SHIFTS  LEU   48   HN   7.74         HA   3.64        2HB   1.78        0EGO 109
SHIFTS  LEU   48  3HB   1.12         HG   1.42         QD1  0.52        0EGO 110
SHIFTS  LEU   48   QD2  0.07                                            0EGO 111
SHIFTS  GLN   49   HN   8.33         HA   4.19        2HB   2.19        0EGO 112
SHIFTS  GLN   49  3HB   1.99        2HG   2.61        3HG   2.41        0EGO 113
SHIFTS  GLN   49  1HE2  7.36        2HE2  6.87                          0EGO 114
SHIFTS  GLN   50   HN   7.95         HA   3.95        2HB   2.18        0EGO 115
SHIFTS  GLN   50  3HB   2.12        2HG   2.35        3HG   2.44        0EGO 116
SHIFTS  GLN   50  1HE2  7.41        2HE2  6.75                          0EGO 117
SHIFTS  LYS   51   HN   7.62         HA   3.95        2HB   1.64        0EGO 118
SHIFTS  LYS   51  3HB   1.56        2HG   1.38        3HG   1.15        0EGO 119
SHIFTS  LYS   51   QD   0.99        2HE   2.28        3HE   2.52        0EGO 120
SHIFTS  LYS   51  1HZ   7.19        2HZ   6.79                          0EGO 121
SHIFTS  ALA   52   HN   8.45         HA   3.94         QB   0.73        0EGO 122
SHIFTS  GLY   53   HN   8.06        1HA   3.99        2HA   3.76        0EGO 123
SHIFTS  LYS   54   HN   7.47         HA   4.70        2HB   1.89        0EGO 124
SHIFTS  LYS   54  3HB   1.40        2HG   1.22        3HG   1.16        0EGO 125
SHIFTS  PRO   55   HA   4.22        2HD   3.52        3HD   3.65        0EGO 126
SHIFTS  VAL   56   HN   8.25         HA   4.17         HB   2.03        0EGO 127
SHIFTS  VAL   56   QG1  0.78         QG2  0.66                          0EGO 128
SHIFTS  GLU   57   HN   7.47         HA   4.52        2HB   1.88        0EGO 129
SHIFTS  GLU   57  3HB   2.16        2HG   2.17        3HG   2.23        0EGO 130
SHIFTS  THR   58   HA   4.86         HB   4.38         QG2  1.18        0EGO 131
SHIFTS  VAL   59   HN   8.25         HA   4.44         HB   2.42        0EGO 132
SHIFTS  VAL   59   QG1  0.85         QG2  0.97                          0EGO 133
SHIFTS  PRO   60   HA   5.61                                            0EGO 134
SHIFTS  GLN   61   HN   8.35         HA   4.85        2HB   1.89        0EGO 135
SHIFTS  GLN   61  3HB   2.29                                            0EGO 136
SHIFTS  ILE   62   HN   9.08         HA   5.12         HB   1.25        0EGO 137
SHIFTS  ILE   62   QG2 -0.05        2HG1  0.70        3HG1  1.36        0EGO 138
SHIFTS  ILE   62   QD1  0.65                                            0EGO 139
SHIFTS  PHE   63   HN   9.04         HA   5.22        2HB   2.58        0EGO 140
SHIFTS  PHE   63  3HB   2.96         CG   7.22         CZ   7.19        0EGO 141
SHIFTS  PHE   63   HZ   6.80                                            0EGO 142
SHIFTS  VAL   64   HN   8.67         HA   4.49         HB   1.27        0EGO 143
SHIFTS  VAL   64   QG1  0.68         QG2  0.28                          0EGO 144
SHIFTS  ASP   65   HN   9.71         HA   4.39        2HB   2.88        0EGO 145
SHIFTS  ASP   65  3HB   2.77                                            0EGO 146
SHIFTS  GLN   66   HN   8.78         HA   3.90        2HB   2.34        0EGO 147
SHIFTS  GLN   66  2HG   2.27        3HG   2.40                          0EGO 148
SHIFTS  GLN   67   HN   8.36         HA   4.61        2HB   2.09        0EGO 149
SHIFTS  GLN   67  3HB   2.12        2HG   2.29        3HG   2.40        0EGO 150
SHIFTS  GLN   67  1HE2  7.26        2HE2  6.59                          0EGO 151
SHIFTS  HIS   68   HN   9.18         HA   3.59        2HB   2.87        0EGO 152
SHIFTS  HIS   68  3HB   3.01         HD2  5.55         HE1  7.52        0EGO 153
SHIFTS  ILE   69   HN   8.23         HA   3.88         HB   1.36        0EGO 154
SHIFTS  ILE   69   QG2  0.53        2HG1  1.14        3HG1  0.50        0EGO 155
SHIFTS  ILE   69   QD1 -0.11                                            0EGO 156
SHIFTS  GLY   70   HN   6.36        1HA   4.64        2HA   3.22        0EGO 157
SHIFTS  GLY   71   HN   7.47                                            0EGO 158
SHIFTS  TYR   72   HA   4.01        2HB   2.82        3HB   3.27        0EGO 159
SHIFTS  TYR   72   CG   6.77         CZ   6.69                          0EGO 160
SHIFTS  THR   73   HN   8.41         HA   3.42         HB   4.12        0EGO 161
SHIFTS  THR   73   QG2  1.25                                            0EGO 162
SHIFTS  ASP   74   HN   7.12         HA   4.35        2HB   2.53        0EGO 163
SHIFTS  ASP   74  3HB   2.62                                            0EGO 164
SHIFTS  PHE   75   HN   8.45         HA   4.51        2HB   2.89        0EGO 165
SHIFTS  PHE   75  3HB   3.05         CG   7.01         CZ   7.30        0EGO 166
SHIFTS  PHE   75   HZ   7.07                                            0EGO 167
SHIFTS  ALA   76   HN   8.73         HA   3.47         QB   0.95        0EGO 168
SHIFTS  ALA   77   HN   7.52         HA   4.07         QB   1.48        0EGO 169
SHIFTS  TRP   78   HN   8.26         HA   4.03        2HB   3.34        0EGO 170
SHIFTS  TRP   78  3HB   3.63         HD1  7.27         HE3  7.38        0EGO 171
SHIFTS  TRP   78   HE1 10.18         HZ3  6.97         HZ2  7.42        0EGO 172
SHIFTS  TRP   78   HH2  7.37                                            0EGO 173
SHIFTS  VAL   79   HN   8.80         HA   3.16         HB   1.94        0EGO 174
SHIFTS  VAL   79   QG1  0.76         QG2  0.63                          0EGO 175
SHIFTS  LYS   80   HN   7.31         HA   4.01        2HB   1.88        0EGO 176
SHIFTS  LYS   80  3HB   1.84        2HG   1.38        3HG   1.44        0EGO 177
SHIFTS  LYS   80   QD   1.62         QE   2.91                          0EGO 178
SHIFTS  GLU   81   HN   7.68         HA   3.99        2HB   1.84        0EGO 179
SHIFTS  GLU   81  3HB   1.79        2HG   2.08        3HG   2.20        0EGO 180
SHIFTS  ASN   82   HN   7.72         HA   4.47        2HB   1.08        0EGO 181
SHIFTS  ASN   82  3HB   1.79        1HD2  6.89        2HD2  6.02        0EGO 182
SHIFTS  LEU   83   HN   7.91         HA   4.49        2HB   1.44        0EGO 183
SHIFTS  LEU   83  3HB   1.70         HG   1.29         QD1  0.79        0EGO 184
SHIFTS  LEU   83   QD2  0.93                                            0EGO 185
SHIFTS  ASP   84   HN   7.64         HA   4.54        2HB   2.74        0EGO 186
SHIFTS  ASP   84  3HB   2.52                                            0EGO 187
SHIFTS  ALA   85   HN   7.37         HA   4.06         QB   1.18        0EGO 188
JCOUPL  GLU    2   HA   HN   8.20                                       0EGO 189
JCOUPL  THR    3   HA   HN   8.30                                       0EGO 190
JCOUPL  VAL    4   HA   HN   8.10                                       0EGO 191
JCOUPL  ILE    5   HA   HN   8.70                                       0EGO 192
JCOUPL  PHE    6   HA   HN   8.90                                       0EGO 193
JCOUPL  ARG    8   HA   HN   5.10                                       0EGO 194
JCOUPL  SER    9   HA   HN   5.40                                       0EGO 195
JCOUPL  CYS   14   HA   HN   5.20                                       0EGO 196
JCOUPL  VAL   15   HA   HN   4.60                                       0EGO 197
JCOUPL  ALA   17   HA   HN   4.90                                       0EGO 198
JCOUPL  LYS   18   HA   HN   5.80                                       0EGO 199
JCOUPL  ASP   19   HA   HN   3.90                                       0EGO 200
JCOUPL  LEU   20   HA   HN   4.70                                       0EGO 201
JCOUPL  ALA   21   HA   HN   3.80                                       0EGO 202
JCOUPL  GLU   22   HA   HN   4.00                                       0EGO 203
JCOUPL  LYS   23   HA   HN   3.70                                       0EGO 204
JCOUPL  LEU   24   HA   HN   3.90                                       0EGO 205
JCOUPL  SER   25   HA   HN   4.20                                       0EGO 206
JCOUPL  ASN   26   HA   HN   6.90                                       0EGO 207
JCOUPL  GLU   27   HA   HN   7.80                                       0EGO 208
JCOUPL  ARG   28   HA   HN   9.00                                       0EGO 209
JCOUPL  ASP   29   HA   HN   7.50                                       0EGO 210
JCOUPL  ASP   30   HA   HN   8.50                                       0EGO 211
JCOUPL  PHE   31   HA   HN   8.50                                       0EGO 212
JCOUPL  GLN   32   HA   HN   8.80                                       0EGO 213
JCOUPL  TYR   33   HA   HN   7.30                                       0EGO 214
JCOUPL  GLN   34   HA   HN   8.50                                       0EGO 215
JCOUPL  TYR   35   HA   HN   8.00                                       0EGO 216
JCOUPL  VAL   36   HA   HN   8.60                                       0EGO 217
JCOUPL  ASP   37   HA   HN   6.90                                       0EGO 218
JCOUPL  ILE   38   HA   HN   5.00                                       0EGO 219
JCOUPL  ALA   40   HA   HN   4.70                                       0EGO 220
JCOUPL  GLN   41   HA   HN   7.50                                       0EGO 221
JCOUPL  ILE   43   HA   HN   7.80                                       0EGO 222
JCOUPL  THR   44   HA   HN   7.60                                       0EGO 223
JCOUPL  GLU   46   HA   HN   4.10                                       0EGO 224
JCOUPL  ASP   47   HA   HN   4.20                                       0EGO 225
JCOUPL  LEU   48   HA   HN   4.30                                       0EGO 226
JCOUPL  GLN   49   HA   HN   3.00                                       0EGO 227
JCOUPL  LYS   51   HA   HN   4.80                                       0EGO 228
JCOUPL  ALA   52   HA   HN   4.90                                       0EGO 229
JCOUPL  LYS   54   HA   HN   6.00                                       0EGO 230
JCOUPL  VAL   56   HA   HN   6.80                                       0EGO 231
JCOUPL  VAL   59   HA   HN   9.30                                       0EGO 232
JCOUPL  GLN   61   HA   HN   8.10                                       0EGO 233
JCOUPL  ILE   62   HA   HN   7.70                                       0EGO 234
JCOUPL  PHE   63   HA   HN   8.60                                       0EGO 235
JCOUPL  VAL   64   HA   HN   8.00                                       0EGO 236
JCOUPL  ASP   65   HA   HN   5.50                                       0EGO 237
JCOUPL  GLN   67   HA   HN   7.80                                       0EGO 238
JCOUPL  HIS   68   HA   HN   4.30                                       0EGO 239
JCOUPL  ILE   69   HA   HN   8.80                                       0EGO 240
JCOUPL  PHE   72   HA   HN   5.40                                       0EGO 241
JCOUPL  ALA   76   HA   HN   3.80                                       0EGO 242
JCOUPL  ALA   77   HA   HN   4.40                                       0EGO 243
JCOUPL  TRP   78   HA   HN   4.00                                       0EGO 244
JCOUPL  VAL   79   HA   HN   4.00                                       0EGO 245
JCOUPL  LYS   80   HA   HN   3.90                                       0EGO 246
JCOUPL  GLU   81   HA   HN   5.50                                       0EGO 247
JCOUPL  ASN   82   HA   HN   8.80                                       0EGO 248
JCOUPL  LEU   83   HA   HN   8.90                                       0EGO 249
JCOUPL  ASP   84   HA   HN   6.80                                       0EGO 250
JCOUPL  TYR   35   HA  3HB  11.00                                       0EGO 251
JCOUPL  PHE   63   HA  3HB  11.00                                       0EGO 252
JCOUPL  PHE    6   HA  3HB  11.00                                       0EGO 253
JCOUPL  PHE   31   HA  2HB  11.00                                       0EGO 254
JCOUPL  GLN   32   HA  2HB  11.00                                       0EGO 255
JCOUPL  GLN   61   HA  2HB  11.00                                       0EGO 256
JCOUPL  ARG   28   HA  2HB  11.00                                       0EGO 257
JCOUPL  GLU   57   HA  2HB  11.00                                       0EGO 258
JCOUPL  ASN   82   HA  2HB  11.00                                       0EGO 259
JCOUPL  LEU   83   HA  3HB  11.00                                       0EGO 260
JCOUPL  GLU   41   HA  2HB  11.00                                       0EGO 261
JCOUPL  GLU   27   HA  2HB  11.00                                       0EGO 262
JCOUPL  GLN   49   HA  2HB  11.00                                       0EGO 263
JCOUPL  LEU   48   HA  2HB  11.00                                       0EGO 264
JCOUPL  LEU   24   HA  2HB  11.00                                       0EGO 265
JCOUPL  TRP   78   HA  3HB  11.00                                       0EGO 266
JCOUPL  TYR   13   HA  2HB  11.00                                       0EGO 267
JCOUPL  HIS   68   HA  3HB  11.00                                       0EGO 268
JCOUPL  TYR   35   HA  2HB   4.00                                       0EGO 269
JCOUPL  PHE   63   HA  2HB   4.00                                       0EGO 270
JCOUPL  PHE    6   HA  2HB   4.00                                       0EGO 271
JCOUPL  PHE   31   HA  3HB   4.00                                       0EGO 272
JCOUPL  GLN   32   HA  3HB   4.00                                       0EGO 273
JCOUPL  GLN   61   HA  3HB   4.00                                       0EGO 274
JCOUPL  ARG   28   HA  3HB   4.00                                       0EGO 275
JCOUPL  GLU   57   HA  3HB   4.00                                       0EGO 276
JCOUPL  ASN   82   HA  3HB   4.00                                       0EGO 277
JCOUPL  LEU   83   HA  2HB   4.00                                       0EGO 278
JCOUPL  GLU   41   HA  3HB   4.00                                       0EGO 279
JCOUPL  GLU   27   HA  3HB   4.00                                       0EGO 280
JCOUPL  GLN   49   HA  3HB   4.00                                       0EGO 281
JCOUPL  LEU   48   HA  3HB   4.00                                       0EGO 282
JCOUPL  LEU   24   HA  3HB   4.00                                       0EGO 283
JCOUPL  TRP   78   HA  2HB   4.00                                       0EGO 284
JCOUPL  TYR   13   HA  3HB   4.00                                       0EGO 285
JCOUPL  HIS   68   HA  2HB   4.00                                       0EGO 286
NOEUPP  MET    1  HA  MET    1  QE   5.50     2HB  MET    1  QE   5.50  0EGO 287
NOEUPP  MET    1 3HB  MET    1  QE   5.50      QB  VAL   64  QG1  6.38  0EGO 288
NOEUPP  MET    1  QE  PHE   31  CG   7.50      QE  VAL   64  QG1  6.50  0EGO 289
NOEUPP  MET    1  QE  TRP   78  HZ2  5.50      QE  TRP   78  HH2  5.50  0EGO 290
NOEUPP  MET    1  QE  LEU   83  QD1  6.50      QE  LEU   83  QD2  6.20  0EGO 291
NOEUPP  GLN    2  HN  GLN    2 2HB   3.70      HN  GLN    2 3HB   3.70  0EGO 292
NOEUPP  GLN    2  HN  GLN    2 2HG   4.50      HN  GLN    2 3HG   4.50  0EGO 293
NOEUPP  GLN    2  HN  VAL   64  QG1  5.50      HN  ASP   65  HN   4.50  0EGO 294
NOEUPP  GLN    2  HN  ASP   65  HA   4.30      HA  GLN    2 2HG   3.80  0EGO 295
NOEUPP  GLN    2  HA  GLN    2 3HG   3.80      HA  GLN    2  QG   3.36  0EGO 296
NOEUPP  GLN    2  HA  THR    3  HN   3.10      HA  GLN   32  HN   4.50  0EGO 297
NOEUPP  GLN    2  HA  GLN   32 2HB   4.50      QG  THR    3  HN   5.38  0EGO 298
NOEUPP  THR    3  HN  THR    3  HB   3.30      HN  TYR   33  HA   3.30  0EGO 299
NOEUPP  THR    3  HN  GLN   34  HN   4.10      HA  THR    3  QG2  3.80  0EGO 300
NOEUPP  THR    3  HA  VAL    4  HN   2.80      HA  VAL   64  HA   2.70  0EGO 301
NOEUPP  THR    3  HA  VAL   64  QG1  5.50      HA  VAL   64  QG2  5.50  0EGO 302
NOEUPP  THR    3  HA  ASP   65  HN   4.00      HB  PHE   31  CG   6.50  0EGO 303
NOEUPP  THR    3  HB  PHE   31  CZ   6.50      HB  TYR   33  HA   3.50  0EGO 304
NOEUPP  THR    3  HB  TYR   33 2HB   4.50      HB  TYR   33 3HB   4.50  0EGO 305
NOEUPP  THR    3  QG2 VAL    4  HN   4.70      QG2 PHE   31  CG   7.50  0EGO 306
NOEUPP  THR    3  QG2 PHE   31  CZ   7.50      QG2 TYR   33  HA   5.50  0EGO 307
NOEUPP  THR    3  QG2 TYR   33 2HB   5.50      QG2 TYR   33 3HB   5.50  0EGO 308
NOEUPP  THR    3  QG2 ILE   62  QG2  5.40      QG2 VAL   64  QG2  6.50  0EGO 309
NOEUPP  THR    3  QG2 PHE   75  CZ   7.50      QG2 PHE   75  HZ   5.50  0EGO 310
NOEUPP  VAL    4  HN  VAL    4  HB   3.40      HN  ILE   62  QG2  5.50  0EGO 311
NOEUPP  VAL    4  HN  PHE   63  HN   4.00      HN  PHE   63 2HB   4.50  0EGO 312
NOEUPP  VAL    4  HN  VAL   64  HA   4.20      HN  VAL   64  QG2  5.50  0EGO 313
NOEUPP  VAL    4  HA  VAL    4  QG1  3.50      HA  VAL    4  QG2  3.30  0EGO 314
NOEUPP  VAL    4  HA  GLN   34  HN   3.60      HA  VAL   36  HB   4.50  0EGO 315
NOEUPP  VAL    4  HB  PHE    6  CZ   6.50      HB  PHE   63 2HB   3.70  0EGO 316
NOEUPP  VAL    4  HB  PHE   63  CG   6.50      QG1 ILE    5  HN   4.90  0EGO 317
NOEUPP  VAL    4  QG1 PHE    6  CG   7.50      QG1 PHE    6  CZ   7.20  0EGO 318
NOEUPP  VAL    4  QG1 GLN   34  QB   6.38      QG1 GLN   34  QG   6.38  0EGO 319
NOEUPP  VAL    4  QG1 VAL   36  QG2  4.50      QG1 PHE   63 2HB   5.50  0EGO 320
NOEUPP  VAL    4  QG1 PHE   63  CG   7.50      QG2 ILE    5  HN   5.50  0EGO 321
NOEUPP  VAL    4  QG2 PHE    6  CZ   7.50                               0EGO 322
NOEUPP  ILE    5  HN  ILE    5  HB   3.40      HN  ILE    5  QG1  5.38  0EGO 323
NOEUPP  ILE    5  HN  TYR   35  HA   3.80      HA  PHE    6  HN   3.10  0EGO 324
NOEUPP  ILE    5  HA  PHE    6  QB   5.38      HA  ILE   62  HA   3.00  0EGO 325
NOEUPP  ILE    5  HA  ILE   62  QG2  5.50      HB  TYR   35  HA   3.30  0EGO 326
NOEUPP  ILE    5  HB  TYR   35  CG   6.00      QG2 PHE    6  HN   5.50  0EGO 327
NOEUPP  ILE    5  QG2 ALA   17  QB   6.50      QG2 TYR   35  HA   5.50  0EGO 328
NOEUPP  ILE    5  QG2 TYR   35  CG   7.50      QG2 TYR   35  CZ   7.50  0EGO 329
NOEUPP  ILE    5  QG2 ILE   62  HA   5.50      QG1 ALA   17  QB   6.38  0EGO 330
NOEUPP  ILE    5  QG1 LYS   18  HA   4.38      QG1 TYR   33  CG   6.78  0EGO 331
NOEUPP  ILE    5  QG1 TYR   33  CZ   6.98      QG1 TYR   35  HA   5.38  0EGO 332
NOEUPP  ILE    5  QG1 TYR   35  CZ   7.38      QG1 ILE   62  HA   5.38  0EGO 333
NOEUPP  PHE    6  HN  VAL   36  QG1  5.50      HN  GLN   61  HN   4.50  0EGO 334
NOEUPP  PHE    6  HN  ILE   62  HA   4.50      HA  GLY    7  HN   2.80  0EGO 335
NOEUPP  PHE    6  HA  VAL   36  HN   4.50      HA  VAL   36  HB   3.00  0EGO 336
NOEUPP  PHE    6  HA  VAL   36  QG1  5.50      HA  VAL   36  QG2  5.50  0EGO 337
NOEUPP  PHE    6  HA  ILE   38  QG2  5.50     2HB  LEU   48  QD2  5.50  0EGO 338
NOEUPP  PHE    6 3HB  LEU   48  QD2  5.50      QB  ILE   38  QG2  6.38  0EGO 339
NOEUPP  PHE    6  QB  LEU   48  QD1  6.38      CG  VAL   36  HB   6.50  0EGO 340
NOEUPP  PHE    6  CG  VAL   36  QG1  7.50      CG  VAL   36  QG2  7.50  0EGO 341
NOEUPP  PHE    6  CG  ILE   38  QG2  7.50      CG  ILE   43  QD1  7.50  0EGO 342
NOEUPP  PHE    6  CG  LEU   48  QD1  7.50      CG  LEU   48  QD2  7.50  0EGO 343
NOEUPP  PHE    6  CZ  VAL   36  HB   6.50      CZ  VAL   36  QG1  7.50  0EGO 344
NOEUPP  PHE    6  CZ  VAL   36  QG2  7.50      CZ  ILE   38  QG2  7.50  0EGO 345
NOEUPP  PHE    6  CZ  ILE   43  QD1  7.50      CZ  LEU   48  QD2  7.50  0EGO 346
NOEUPP  PHE    6  CZ  LYS   51  QD   7.50      CZ  LYS   51 2HE   6.50  0EGO 347
NOEUPP  PHE    6  CZ  LYS   51 3HE   6.50      CZ  PHE   63  CG   8.50  0EGO 348
NOEUPP  PHE    6  CZ  PHE   63  CZ   8.50                               0EGO 349
NOEUPP  GLY    7  HN  VAL   36  HN   4.00      HN  VAL   36  HB   4.50  0EGO 350
NOEUPP  GLY    7  HN  ILE   38  HN   4.50      HN  ILE   38  QG2  5.50  0EGO 351
NOEUPP  GLY    7 1HA  TYR   35  CZ   6.50     1HA  VAL   59  QG1  7.25  0EGO 352
NOEUPP  GLY    7 1HA  VAL   59  QG2  7.25     2HA  TYR   35  CZ   6.50  0EGO 353
NOEUPP  GLY    7 2HA  VAL   59  QG1  7.25     2HA  VAL   59  QG2  7.25  0EGO 354
NOEUPP  GLY    7  QA  VAL   59  QQG  6.18      QA  PRO   60  HA   5.38  0EGO 355
NOEUPP  ARG    8  HA  ASP   37  HA   3.20                               0EGO 356
NOEUPP  CYS   11  HA  PRO   12  QD   3.78                               0EGO 357
NOEUPP  PRO   12  HA  VAL   15  HN   4.50      HA  VAL   15  QG2  5.50  0EGO 358
NOEUPP  TYR   13  HA  TYR   13  CZ   5.10      HA  ARG   16  HN   3.90  0EGO 359
NOEUPP  TYR   13  HA  ARG   16  QB   4.28      CZ  THR   73  QG2  7.50  0EGO 360
NOEUPP  CYS   14  HN  VAL   15  HN   3.20      HN  VAL   15  QG2  5.50  0EGO 361
NOEUPP  CYS   14  HA  ALA   17  QB   5.50      HA  TYR   35  CZ   6.50  0EGO 362
NOEUPP  CYS   14  QB  TYR   35  CZ   7.38                               0EGO 363
NOEUPP  VAL   15  HN  VAL   15  HB   3.20      HN  VAL   15  QG1  4.90  0EGO 364
NOEUPP  VAL   15  HN  VAL   15  QG2  2.90      HN  ARG   16  HN   3.60  0EGO 365
NOEUPP  VAL   15  HA  VAL   15  QG1  3.10      HA  VAL   15  QG2  2.80  0EGO 366
NOEUPP  VAL   15  HA  LYS   18  HN   3.90      HA  LYS   18 2HB   3.90  0EGO 367
NOEUPP  VAL   15  HA  LYS   18 3HB   3.20      HB  ARG   16  HN   3.30  0EGO 368
NOEUPP  VAL   15  QG1 ARG   16  HN   5.50      QG2 ARG   16  HN   5.50  0EGO 369
NOEUPP  VAL   15  QG2 TYR   35  CZ   7.50                               0EGO 370
NOEUPP  ARG   16  HN  ARG   16  QB   3.82      HN  ARG   16 2HG   4.50  0EGO 371
NOEUPP  ARG   16  HN  ARG   16 3HG   4.50      HN  ARG   16  QG   4.21  0EGO 372
NOEUPP  ARG   16  HN  ALA   17  HN   3.80      HA  ASP   19  HN   4.30  0EGO 373
NOEUPP  ARG   16  HA  ASP   19  QB   4.48     2HB  ALA   17  HN   4.50  0EGO 374
NOEUPP  ARG   16 3HB  ALA   17  HN   4.50      QB  ALA   17  HN   4.03  0EGO 375
NOEUPP  ALA   17  HA  LEU   20  HN   4.50      HA  LEU   20 2HB   4.50  0EGO 376
NOEUPP  ALA   17  HA  LEU   20  QD2  5.50      HA  PHE   75  CG   6.50  0EGO 377
NOEUPP  ALA   17  HA  PHE   75  CZ   6.50      QB  ILE   62  QD1  4.90  0EGO 378
NOEUPP  ALA   17  QB  TYR   72  CG   7.50      QB  TYR   72  CZ   7.50  0EGO 379
NOEUPP  ALA   17  QB  PHE   75  CG   7.50      QB  PHE   75  CZ   7.50  0EGO 380
NOEUPP  LYS   18  HN  LYS   18 2HD   4.50      HN  LYS   18 3HD   4.50  0EGO 381
NOEUPP  LYS   18  HN  ASP   19  HN   3.80      HA  ALA   21  HN   4.00  0EGO 382
NOEUPP  LYS   18  HA  ALA   21  QB   4.80      HA  TYR   33  CG   6.50  0EGO 383
NOEUPP  LYS   18 2HB  ASP   19  HN   4.10     3HB  ASP   19  HN   3.70  0EGO 384
NOEUPP  LYS   18 2HG  TYR   33  CZ   6.50     3HG  TYR   33  CZ   6.50  0EGO 385
NOEUPP  LYS   18  QG  TYR   33  CG   7.38                               0EGO 386
NOEUPP  ASP   19  HN  ASP   19 2HB   3.50      HN  ASP   19 3HB   3.50  0EGO 387
NOEUPP  ASP   19  HN  ASP   19  QB   3.29      HN  LEU   20  HN   3.50  0EGO 388
NOEUPP  ASP   19  HA  GLU   22  HN   3.90      HA  GLU   22 2HB   4.50  0EGO 389
NOEUPP  ASP   19  HA  GLU   22 3HB   4.50      HA  GLU   22  QB   3.89  0EGO 390
NOEUPP  ASP   19 2HB  LEU   20  HN   4.10     3HB  LEU   20  HN   4.10  0EGO 391
NOEUPP  ASP   19  QB  LEU   20  HN   3.81                               0EGO 392
NOEUPP  LEU   20  HN  LEU   20 2HB   3.10      HN  LEU   20 3HB   3.00  0EGO 393
NOEUPP  LEU   20  HN  LEU   20  QD1  5.50      HN  LEU   20  QD2  5.50  0EGO 394
NOEUPP  LEU   20  HN  ALA   21  HN   3.20      HA  LEU   20  QD1  3.30  0EGO 395
NOEUPP  LEU   20  HA  LEU   20  QD2  5.50      HA  LYS   23 2HB   4.00  0EGO 396
NOEUPP  LEU   20 2HB  ALA   21  HN   4.10     2HB  TYR   72  CZ   6.50  0EGO 397
NOEUPP  LEU   20 3HB  ALA   21  HN   3.50     3HB  TYR   72  CZ   6.50  0EGO 398
NOEUPP  LEU   20 3HB  PHE   75  CZ   6.50      HG  ALA   21  HN   4.50  0EGO 399
NOEUPP  LEU   20  HG  LEU   24  QD1  5.50      HG  PHE   75  CG   6.50  0EGO 400
NOEUPP  LEU   20  HG  PHE   75  CZ   6.50      QD1 LEU   24  HN   5.50  0EGO 401
NOEUPP  LEU   20  QD1 LEU   24  HG   5.50      QD1 LEU   24  QD1  6.50  0EGO 402
NOEUPP  LEU   20  QD1 TYR   72  CZ   7.50      QD1 ALA   76  HA   5.50  0EGO 403
NOEUPP  LEU   20  QD2 ALA   21  HN   5.50      QD2 TYR   72  CZ   7.50  0EGO 404
NOEUPP  LEU   20  QD2 PHE   75  CG   7.50      QD2 PHE   75  CZ   7.50  0EGO 405
NOEUPP  LEU   20  QD2 ALA   76  HA   4.00      QD2 ALA   76  QB   4.30  0EGO 406
NOEUPP  ALA   21  HN  ALA   21  QB   3.10      HN  GLU   22  HN   3.40  0EGO 407
NOEUPP  ALA   21  HA  LEU   24  HN   4.20      HA  LEU   24 2HB   4.40  0EGO 408
NOEUPP  ALA   21  HA  LEU   24 3HB   4.50      HA  LEU   24  QD1  5.50  0EGO 409
NOEUPP  ALA   21  HA  PHE   31  CG   6.50      HA  PHE   31  CZ   6.30  0EGO 410
NOEUPP  ALA   21  HA  PHE   75  CZ   6.50      HA  PHE   75  HZ   4.50  0EGO 411
NOEUPP  ALA   21  QB  PHE   31  CG   7.50      QB  PHE   31  CZ   7.50  0EGO 412
NOEUPP  ALA   21  QB  TYR   33  HA   5.50      QB  TYR   33  CG   7.50  0EGO 413
NOEUPP  ALA   21  QB  TYR   33  CZ   7.50      QB  PHE   75  CZ   7.50  0EGO 414
NOEUPP  ALA   21  QB  PHE   75  HZ   5.50                               0EGO 415
NOEUPP  GLU   22  HN  GLU   22 2HB   3.30      HN  GLU   22 3HB   3.30  0EGO 416
NOEUPP  GLU   22  HN  GLU   22 2HG   4.50      HN  GLU   22 3HG   4.50  0EGO 417
NOEUPP  GLU   22  HN  LYS   23  HN   3.30      HA  SER   25  HN   4.30  0EGO 418
NOEUPP  GLU   22  HA  SER   25  QB   5.38                               0EGO 419
NOEUPP  LYS   23  HN  LYS   23 2HB   3.00      HN  LYS   23 3HB   2.80  0EGO 420
NOEUPP  LYS   23  HN  LEU   24  HN   3.40      HA  ASN   26  HN   4.50  0EGO 421
NOEUPP  LYS   23  HA  ASN   26  QB   4.68      HA  ASN   26  QD2  5.37  0EGO 422
NOEUPP  LYS   23 2HB  LYS   23  QD   4.00     2HB  LEU   24  HN   4.50  0EGO 423
NOEUPP  LYS   23 3HB  LEU   24  HN   3.40                               0EGO 424
NOEUPP  LEU   24  HN  LEU   24 2HB   3.50      HN  LEU   24 3HB   3.90  0EGO 425
NOEUPP  LEU   24  HN  LEU   24  HG   3.30      HN  LEU   24  QD1  5.50  0EGO 426
NOEUPP  LEU   24  HN  LEU   24  QD2  5.50      HN  SER   25  HN   3.30  0EGO 427
NOEUPP  LEU   24  HA  LEU   24  HG   4.00      HA  LEU   24  QD1  5.50  0EGO 428
NOEUPP  LEU   24  HA  LEU   24  QD2  3.30      HA  GLU   27  HN   4.00  0EGO 429
NOEUPP  LEU   24  HA  GLU   27 2HB   4.10      HA  GLU   27 3HB   4.10  0EGO 430
NOEUPP  LEU   24  HA  GLU   27  QB   3.90     2HB  SER   25  HN   3.70  0EGO 431
NOEUPP  LEU   24 3HB  SER   25  HN   4.30     3HB  PHE   31  CG   6.50  0EGO 432
NOEUPP  LEU   24 3HB  PHE   31  CZ   6.50      HG  SER   25  HN   4.50  0EGO 433
NOEUPP  LEU   24  QD1 PHE   31  CG   7.50      QD1 PHE   31  CZ   7.50  0EGO 434
NOEUPP  LEU   24  QD1 PHE   75  CZ   7.50      QD1 PHE   75  HZ   5.50  0EGO 435
NOEUPP  LEU   24  QD1 VAL   79  QG1  6.50      QD1 VAL   79  QG2  5.00  0EGO 436
NOEUPP  LEU   24  QD1 LEU   83  QD1  6.50      QD2 SER   25  HN   5.50  0EGO 437
NOEUPP  LEU   24  QD2 ARG   28 2HD   5.50      QD2 ARG   28 3HD   5.50  0EGO 438
NOEUPP  LEU   24  QD2 VAL   79  QG1  5.50      QD2 LEU   83  QD1  6.50  0EGO 439
NOEUPP  SER   25  HN  SER   25 2HB   4.10      HN  SER   25 3HB   4.10  0EGO 440
NOEUPP  SER   25  HN  SER   25  QB   3.76      HN  ASN   26  HN   3.60  0EGO 441
NOEUPP  SER   25  HA  PHE   31 2HB   4.50      HA  PHE   31 3HB   3.80  0EGO 442
NOEUPP  SER   25  HA  PHE   31  CG   5.80      HA  PHE   31  CZ   6.50  0EGO 443
NOEUPP  SER   25 2HB  PHE   31  CG   6.50     2HB  TYR   33  CG   6.50  0EGO 444
NOEUPP  SER   25 2HB  TYR   33  CZ   6.50     3HB  PHE   31  CG   6.50  0EGO 445
NOEUPP  SER   25 3HB  TYR   33  CG   6.50     3HB  TYR   33  CZ   6.50  0EGO 446
NOEUPP  ASN   26  HN  ASN   26 2HB   3.70      HN  ASN   26 3HB   3.70  0EGO 447
NOEUPP  ASN   26  HN  ASN   26  QB   3.35      HN  ASN   26  QD2  5.37  0EGO 448
NOEUPP  ASN   26  HN  GLU   27  HN   3.40     2HB  GLU   27  HN   4.50  0EGO 449
NOEUPP  ASN   26 3HB  GLU   27  HN   4.50      QB  GLU   27  HN   4.12  0EGO 450
NOEUPP  GLU   27  HN  GLU   27 2HB   3.60      HN  GLU   27 3HB   3.60  0EGO 451
NOEUPP  GLU   27  HN  GLU   27 2HG   4.50      HN  GLU   27 3HG   4.50  0EGO 452
NOEUPP  GLU   27  HN  ARG   28  HN   3.30      HA  GLU   27 2HG   4.20  0EGO 453
NOEUPP  GLU   27  HA  GLU   27 3HG   4.20      HA  GLU   27  QG   3.77  0EGO 454
NOEUPP  GLU   27 2HB  ARG   28  HN   4.50     3HB  ARG   28  HN   4.50  0EGO 455
NOEUPP  GLU   27  QB  ARG   28  HN   4.21                               0EGO 456
NOEUPP  ARG   28  HN  ARG   28  QG   5.38      HA  ARG   28 2HG   4.00  0EGO 457
NOEUPP  ARG   28  HA  ARG   28 3HG   4.00      QB  ARG   28  HE   5.38  0EGO 458
NOEUPP  ASP   29  HN  ASP   30  HN   3.80      HA  ASP   29 2HB   3.00  0EGO 459
NOEUPP  ASP   29  HA  ASP   29 3HB   3.00                               0EGO 460
NOEUPP  ASP   30  HN  ASP   30 3HB   3.90      HN  PHE   31  HN   3.50  0EGO 461
NOEUPP  ASP   30  HA  ASP   30 3HB   3.00                               0EGO 462
NOEUPP  PHE   31  HN  PHE   31 2HB   3.90      HN  PHE   31 3HB   3.50  0EGO 463
NOEUPP  PHE   31  HA  GLN   32  HN   3.00      CG  GLN   32  HA   6.50  0EGO 464
NOEUPP  PHE   31  CG  TYR   33  CG   8.50      CG  TYR   33  CZ   8.50  0EGO 465
NOEUPP  PHE   31  CG  PHE   75  HZ   6.00      CG  LEU   83  QD1  7.50  0EGO 466
NOEUPP  PHE   31  CG  LEU   83  QD2  7.50      CZ  TYR   33  CG   8.50  0EGO 467
NOEUPP  PHE   31  CZ  PHE   75  HZ   6.50      CZ  LEU   83  QD1  7.50  0EGO 468
NOEUPP  GLN   32  HN  GLN   32 2HG   4.50      HN  GLN   32 3HG   4.50  0EGO 469
NOEUPP  GLN   32  HA  GLN   32 2HG   4.10      HA  GLN   32 3HG   4.10  0EGO 470
NOEUPP  GLN   32  HA  TYR   33  HN   2.80      HA  TYR   33  CG   6.50  0EGO 471
NOEUPP  GLN   32 2HB  TYR   33  HN   4.20     3HB  TYR   33  HN   3.40  0EGO 472
NOEUPP  TYR   33  HA  TYR   33 2HB   3.00      HA  TYR   33 3HB   3.00  0EGO 473
NOEUPP  TYR   33  HA  GLN   34  HN   2.80     2HB  GLN   34  HN   4.50  0EGO 474
NOEUPP  TYR   33 3HB  GLN   34  HN   4.50      QB  GLN   34  HN   4.17  0EGO 475
NOEUPP  TYR   33  CG  GLN   34  HA   6.50      CZ  GLN   34  HA   6.50  0EGO 476
NOEUPP  GLN   34  HN  GLN   34 2HB   3.70      HN  GLN   34 3HB   3.70  0EGO 477
NOEUPP  GLN   34  HA  TYR   35  HN   2.70     2HB  TYR   35  HN   4.40  0EGO 478
NOEUPP  GLN   34 3HB  TYR   35  HN   4.40      QB  TYR   35  HN   4.21  0EGO 479
NOEUPP  GLN   34 2HG  TYR   35  HN   4.50     2HG  VAL   36  QG2  5.50  0EGO 480
NOEUPP  GLN   34 3HG  TYR   35  HN   4.50     3HG  VAL   36  QG2  5.50  0EGO 481
NOEUPP  TYR   35  HN  TYR   35 2HB   3.60      HN  TYR   35 3HB   3.60  0EGO 482
NOEUPP  TYR   35  HN  TYR   35  QB   3.29      HA  VAL   36  HN   3.00  0EGO 483
NOEUPP  TYR   35  CZ  ASP   37  HA   6.50      CZ  ASP   37 2HB   6.50  0EGO 484
NOEUPP  TYR   35  CZ  ASP   37 3HB   6.50                               0EGO 485
NOEUPP  VAL   36  HN  VAL   36  HB   3.30      HN  VAL   36  QG1  4.40  0EGO 486
NOEUPP  VAL   36  HN  VAL   36  QG2  4.40      HA  VAL   36  QG1  3.40  0EGO 487
NOEUPP  VAL   36  HA  VAL   36  QG2  2.70      QG1 GLU   41 2HB   5.50  0EGO 488
NOEUPP  VAL   36  QG1 GLU   41 3HB   5.50      QG1 GLU   41  QG   6.50  0EGO 489
NOEUPP  ASP   37  HN  ASP   37 2HB   3.30      HN  ASP   37 3HB   3.30  0EGO 490
NOEUPP  ASP   37 2HB  ALA   40  QB   5.50     3HB  ALA   40  QB   5.50  0EGO 491
NOEUPP  ASP   37  QB  ALA   40  QB   4.81                               0EGO 492
NOEUPP  ILE   38  HN  ILE   38  QG2  4.30      HN  ILE   38 2HG1  3.80  0EGO 493
NOEUPP  ILE   38  HN  ILE   38 3HG1  4.50      HN  ILE   38  QD1  5.50  0EGO 494
NOEUPP  ILE   38  HN  ARG   39  HN   3.70      HA  ILE   38  QG2  3.60  0EGO 495
NOEUPP  ILE   38  HA  ILE   38 3HG1  3.50      HA  GLU   41  HN   4.10  0EGO 496
NOEUPP  ILE   38  HB  ILE   43  HN   4.50      QG2 ILE   38  QD1  4.10  0EGO 497
NOEUPP  ILE   38 2HG1 ARG   39  HN   4.50     3HG1 ARG   39  HN   4.00  0EGO 498
NOEUPP  ARG   39  HN  ARG   39 2HG   4.50      HN  ARG   39 3HG   4.50  0EGO 499
NOEUPP  ARG   39  HA  GLY   42  HN   4.50     2HB  ALA   40  HN   4.50  0EGO 500
NOEUPP  ARG   39 3HB  ALA   40  HN   4.50                               0EGO 501
NOEUPP  ALA   40  HN  ALA   40  QB   3.00      QB  GLU   41  HN   3.90  0EGO 502
NOEUPP  ALA   40  QB  GLU   41  HA   5.50      QB  GLU   41  QG   6.50  0EGO 503
NOEUPP  GLU   41  HN  GLU   41 2HB   3.20      HN  GLU   41 3HB   3.80  0EGO 504
NOEUPP  GLU   41  HN  GLU   41  QG   5.30      HN  GLY   42  HN   3.30  0EGO 505
NOEUPP  GLU   41 2HB  GLY   42  HN   4.10     3HB  ILE   43  QD1  5.50  0EGO 506
NOEUPP  GLU   41  QG  GLY   42  HN   5.50                               0EGO 507
NOEUPP  GLY   42  HN  ILE   43  HN   3.40                               0EGO 508
NOEUPP  ILE   43  HN  ILE   43  HB   3.00      HN  ILE   43 2HG1  4.50  0EGO 509
NOEUPP  ILE   43  HN  ILE   43 3HG1  4.50      HN  ILE   43  QG1  4.17  0EGO 510
NOEUPP  ILE   43  HN  ILE   43  QD1  5.50      HA  ILE   43 2HG1  4.00  0EGO 511
NOEUPP  ILE   43  HA  ILE   43 3HG1  4.00      HA  ILE   43  QG1  3.80  0EGO 512
NOEUPP  ILE   43  HA  THR   44  HN   2.70      HA  THR   44  QG2  5.50  0EGO 513
NOEUPP  ILE   43  QG2 THR   44  HN   4.90      QG2 ASP   47 2HB   5.50  0EGO 514
NOEUPP  ILE   43  QG2 ASP   47 3HB   5.50      QG2 LEU   48  HN   5.50  0EGO 515
NOEUPP  ILE   43  QG2 LEU   48  QD1  6.00      QG2 LEU   48  QD2  6.50  0EGO 516
NOEUPP  ILE   43  QD1 LEU   48  QD1  6.50      QD1 LEU   48  QD2  6.50  0EGO 517
NOEUPP  THR   44  HN  THR   44  QG2  3.90      HN  ASP   47 2HB   3.90  0EGO 518
NOEUPP  THR   44  HN  ASP   47 3HB   3.90      HN  ASP   47  QB   3.50  0EGO 519
NOEUPP  THR   44  HA  THR   44  HB   2.70      HA  THR   44  QG2  2.90  0EGO 520
NOEUPP  LYS   45  HN  LYS   45 2HB   4.00      HN  LYS   45 3HB   4.00  0EGO 521
NOEUPP  LYS   45  HN  LYS   45  QB   3.80      HN  GLU   46  HN   4.50  0EGO 522
NOEUPP  LYS   45  HA  LEU   48  HN   4.50      HA  LEU   48 3HB   4.50  0EGO 523
NOEUPP  LYS   45  HA  LEU   48  QD1  5.50     2HB  GLU   46  HN   4.50  0EGO 524
NOEUPP  LYS   45 3HB  GLU   46  HN   4.50      QB  GLU   46  HN   4.07  0EGO 525
NOEUPP  GLU   46  HN  GLU   46 2HB   3.80      HN  GLU   46 3HB   3.80  0EGO 526
NOEUPP  GLU   46  HN  GLU   46  QB   3.55      HN  GLU   46 2HG   4.50  0EGO 527
NOEUPP  GLU   46  HN  GLU   46 3HG   4.50      HN  ASP   47  HN   3.60  0EGO 528
NOEUPP  GLU   46  HA  GLU   46  QG   3.77      HA  GLN   49  HN   4.10  0EGO 529
NOEUPP  GLU   46  HA  GLN   49  QB   4.88                               0EGO 530
NOEUPP  ASP   47  HN  ASP   47 2HB   4.10      HN  ASP   47 3HB   4.10  0EGO 531
NOEUPP  ASP   47  HN  ASP   47  QB   3.71      HN  LEU   48  HN   3.30  0EGO 532
NOEUPP  ASP   47  HA  GLN   50  HN   4.30      HA  GLN   50 2HB   4.50  0EGO 533
NOEUPP  ASP   47  HA  GLN   50 3HB   4.50     2HB  LEU   48  HN   4.20  0EGO 534
NOEUPP  ASP   47 3HB  LEU   48  HN   4.20      QB  LEU   48  HN   3.86  0EGO 535
NOEUPP  LEU   48  HN  LEU   48 2HB   3.30      HN  LEU   48 3HB   3.70  0EGO 536
NOEUPP  LEU   48  HN  LEU   48  HG   3.70      HN  LEU   48  QD1  5.50  0EGO 537
NOEUPP  LEU   48  HN  LEU   48  QD2  5.50      HN  GLN   49  HN   3.70  0EGO 538
NOEUPP  LEU   48  HA  LEU   48  HG   4.00      HA  LEU   48  QD1  5.50  0EGO 539
NOEUPP  LEU   48  HA  LEU   48  QD2  3.30      HA  LYS   51  HN   3.80  0EGO 540
NOEUPP  LEU   48  HA  LYS   51 2HB   4.50      HA  LYS   51 3HB   4.50  0EGO 541
NOEUPP  LEU   48  HA  LYS   51  QB   4.21      HA  LYS   51  QD   5.50  0EGO 542
NOEUPP  LEU   48 2HB  GLN   49  HN   4.10      QD2 LYS   51  QD   6.50  0EGO 543
NOEUPP  LEU   48  QD2 PHE   63  CG   7.50      QD2 PHE   63  CZ   7.50  0EGO 544
NOEUPP  LEU   48  QD2 PHE   63  HZ   5.50                               0EGO 545
NOEUPP  GLN   49  HN  GLN   49 2HB   3.80      HN  GLN   49 3HB   3.80  0EGO 546
NOEUPP  GLN   49  HN  GLN   49  QB   3.55      HN  GLN   49 2HG   4.50  0EGO 547
NOEUPP  GLN   49  HN  GLN   49 3HG   4.50      HN  GLN   50  HN   3.60  0EGO 548
NOEUPP  GLN   49  HA  ALA   52  HN   4.20      HA  ALA   52  QB   4.90  0EGO 549
NOEUPP  GLN   49  HA  GLY   53  HN   4.50      QG  VAL   56  QQG  7.94  0EGO 550
NOEUPP  GLN   50  HN  GLN   50 2HG   4.50      HN  GLN   50 3HG   4.50  0EGO 551
NOEUPP  GLN   50  HN  LYS   51  HN   3.40      HA  LYS   51  HN   3.60  0EGO 552
NOEUPP  GLN   50 2HB  LYS   51  HN   3.70     3HB  LYS   51  HN   3.70  0EGO 553
NOEUPP  LYS   51  HN  LYS   51 2HB   3.50      HN  LYS   51 3HB   3.50  0EGO 554
NOEUPP  LYS   51  HN  LYS   51  QB   3.24      HN  LYS   51 2HG   4.50  0EGO 555
NOEUPP  LYS   51  HN  LYS   51 3HG   4.50      HN  LYS   51  QG   4.21  0EGO 556
NOEUPP  LYS   51  HN  LYS   51  QD   5.50      HN  ALA   52  HN   3.30  0EGO 557
NOEUPP  LYS   51  HA  LYS   51  QG   3.94      HA  LYS   51  QD   5.50  0EGO 558
NOEUPP  LYS   51  HA  LYS   51 1HZ   3.40      HA  LYS   51 2HZ   3.90  0EGO 559
NOEUPP  LYS   51 2HB  LYS   51 1HZ   4.50     2HB  LYS   51 2HZ   4.50  0EGO 560
NOEUPP  LYS   51 2HB  ALA   52  HN   4.00     2HB  PHE   63  CZ   6.50  0EGO 561
NOEUPP  LYS   51 2HB  PHE   63  HZ   4.50     3HB  LYS   51 1HZ   4.50  0EGO 562
NOEUPP  LYS   51 3HB  LYS   51 2HZ   4.50     3HB  ALA   52  HN   4.00  0EGO 563
NOEUPP  LYS   51 3HB  PHE   63  CZ   6.50     3HB  PHE   63  HZ   4.50  0EGO 564
NOEUPP  LYS   51  QG  LYS   51 1HZ   5.38      QG  LYS   51 2HZ   5.38  0EGO 565
NOEUPP  LYS   51  QE  PHE   63  CZ   7.38                               0EGO 566
NOEUPP  ALA   52  HN  ALA   52  QB   3.30      HN  GLY   53  HN   3.30  0EGO 567
NOEUPP  ALA   52  HA  GLY   53  HN   3.60      HA  PHE   63  CG   6.50  0EGO 568
NOEUPP  ALA   52  HA  PHE   63  CZ   5.90      HA  PHE   63  HZ   3.80  0EGO 569
NOEUPP  ALA   52  HA  HIS   68 2HB   4.20      HA  HIS   68 3HB   4.50  0EGO 570
NOEUPP  ALA   52  HA  HIS   68  HD2  4.50      QB  LYS   54  HN   4.10  0EGO 571
NOEUPP  ALA   52  QB  PHE   63  CG   7.50      QB  PHE   63  CZ   7.50  0EGO 572
NOEUPP  ALA   52  QB  HIS   68 3HB   5.50      QB  HIS   68  HD2  5.50  0EGO 573
NOEUPP  ALA   52  QB  HIS   68  HE1  5.50                               0EGO 574
NOEUPP  GLY   53  HN  LYS   54  HN   3.10                               0EGO 575
NOEUPP  LYS   54  HN  LYS   54 2HG   4.50      HN  LYS   54 3HG   4.50  0EGO 576
NOEUPP  LYS   54  HA  PRO   55 2HD   3.50      HA  PRO   55 3HD   3.50  0EGO 577
NOEUPP  LYS   54  HA  PRO   55  QD   3.19                               0EGO 578
NOEUPP  PRO   55  HA  VAL   56  HN   2.80                               0EGO 579
NOEUPP  VAL   56  HN  VAL   56  HB   3.70      HN  VAL   56  QQG  3.97  0EGO 580
NOEUPP  VAL   56  HA  VAL   56  HB   2.80      HA  VAL   56  QQG  3.14  0EGO 581
NOEUPP  VAL   59  HN  VAL   59  HB   3.70      HA  VAL   59  QQG  2.90  0EGO 582
NOEUPP  VAL   59  HA  PRO   60  HA   3.10      QG1 PRO   60  HA   5.50  0EGO 583
NOEUPP  VAL   59  QG2 PRO   60  HA   5.50                               0EGO 584
NOEUPP  PRO   60  HA  GLN   61  HN   3.10                               0EGO 585
NOEUPP  GLN   61  HN  GLN   61  QB   3.81      HA  ILE   62  HN   3.30  0EGO 586
NOEUPP  GLN   61  HA  ILE   62  QD1  5.50      QB  HIS   68  HD2  5.38  0EGO 587
NOEUPP  ILE   62  HN  ILE   62  QG1  5.38      HN  ILE   62  QD1  5.50  0EGO 588
NOEUPP  ILE   62  HN  GLY   70  HN   3.90      HA  ILE   62 2HG1  3.90  0EGO 589
NOEUPP  ILE   62  HA  ILE   62 3HG1  3.90      HA  ILE   62  QG1  3.70  0EGO 590
NOEUPP  ILE   62  HA  PHE   63  HN   2.80      HA  PHE   63  CG   6.50  0EGO 591
NOEUPP  ILE   62  QG2 PHE   63  HN   5.50      QG2 PHE   63  HA   5.50  0EGO 592
NOEUPP  ILE   62  QG2 VAL   64  QG2  6.50      QG2 PHE   75  QB   6.38  0EGO 593
NOEUPP  ILE   62  QG2 PHE   75  CG   7.50      QG2 PHE   75  CZ   7.50  0EGO 594
NOEUPP  ILE   62  QD1 PHE   63  HN   5.50      QD1 PHE   75 2HB   5.50  0EGO 595
NOEUPP  ILE   62  QD1 PHE   75 3HB   5.50                               0EGO 596
NOEUPP  PHE   63  HN  PHE   63 2HB   3.50      HA  PHE   63  CZ   5.10  0EGO 597
NOEUPP  PHE   63  HA  VAL   64  HN   2.80      HA  HIS   68  HA   3.00  0EGO 598
NOEUPP  PHE   63  HA  HIS   68  HD2  4.50      HA  ILE   69  HN   3.50  0EGO 599
NOEUPP  PHE   63  HA  ILE   69  HB   4.50      HA  ILE   69 2HG1  4.40  0EGO 600
NOEUPP  PHE   63 3HB  VAL   64  HN   3.80      CG  HIS   68  HN   6.50  0EGO 601
NOEUPP  PHE   63  CG  HIS   68  HA   6.50      CG  HIS   68  HD2  6.50  0EGO 602
NOEUPP  PHE   63  CZ  HIS   68  HA   6.50      CZ  HIS   68 2HB   6.50  0EGO 603
NOEUPP  PHE   63  CZ  HIS   68 3HB   6.50      CZ  HIS   68  HD2  6.50  0EGO 604
NOEUPP  PHE   63  HZ  HIS   68  HA   4.50      HZ  HIS   68  HD2  4.50  0EGO 605
NOEUPP  VAL   64  HN  VAL   64  HB   3.40      HN  ASP   65  HN   4.50  0EGO 606
NOEUPP  VAL   64  HN  GLN   67  HN   3.80      HN  HIS   68  HA   4.50  0EGO 607
NOEUPP  VAL   64  HN  ILE   69  HN   4.50      HN  ILE   69  QG2  5.50  0EGO 608
NOEUPP  VAL   64  HN  ILE   69 2HG1  4.50      HN  ILE   69 3HG1  4.50  0EGO 609
NOEUPP  VAL   64  HN  ILE   69  QD1  5.50      HA  VAL   64  QG1  3.30  0EGO 610
NOEUPP  VAL   64  HA  VAL   64  QG2  3.70      HA  ASP   65  HN   2.90  0EGO 611
NOEUPP  VAL   64  HB  ILE   69  QD1  5.50      QG1 ASP   65  HN   5.50  0EGO 612
NOEUPP  VAL   64  QG1 PHE   75  CG   7.50      QG1 PHE   75  CZ   7.50  0EGO 613
NOEUPP  VAL   64  QG1 TRP   78  HZ3  5.50      QG1 TRP   78  HZ2  5.50  0EGO 614
NOEUPP  VAL   64  QG1 TRP   78  HH2  5.50      QG2 ASP   65  HN   5.50  0EGO 615
NOEUPP  VAL   64  QG2 ILE   69 2HG1  5.50      QG2 ILE   69 3HG1  5.50  0EGO 616
NOEUPP  VAL   64  QG2 ILE   69  QD1  6.50      QG2 PHE   75  CG   7.50  0EGO 617
NOEUPP  VAL   64  QG2 PHE   75  CZ   7.50      QG2 TRP   78  HZ3  5.50  0EGO 618
NOEUPP  VAL   64  QG2 TRP   78  HZ2  5.50      QG2 TRP   78  HH2  5.50  0EGO 619
NOEUPP  ASP   65  HN  ASP   65  HA   2.90      HN  GLN   66  HN   4.00  0EGO 620
NOEUPP  ASP   65  HA  GLN   66  HN   3.50     2HB  GLN   66  HN   3.70  0EGO 621
NOEUPP  ASP   65 3HB  GLN   66  HN   3.70                               0EGO 622
NOEUPP  GLN   66  HN  GLN   66  HA   2.90      HN  GLN   66 2HG   4.50  0EGO 623
NOEUPP  GLN   66  HN  GLN   66 3HG   4.50      HN  GLN   67  HN   3.70  0EGO 624
NOEUPP  GLN   66  HA  GLN   66 2HG   4.00      HA  GLN   66 3HG   4.00  0EGO 625
NOEUPP  GLN   66  HA  GLN   66  QG   3.80                               0EGO 626
NOEUPP  GLN   67  HN  GLN   67 2HB   3.40      HN  GLN   67 3HB   3.40  0EGO 627
NOEUPP  GLN   67  HN  GLN   67 2HG   4.30      HN  GLN   67 3HG   4.30  0EGO 628
NOEUPP  GLN   67  HN  GLN   67  QG   4.06      HA  HIS   68  HN   3.00  0EGO 629
NOEUPP  GLN   67 2HB  HIS   68  HN   4.50     2HB  ILE   69  QD1  5.50  0EGO 630
NOEUPP  GLN   67 3HB  HIS   68  HN   4.50     3HB  ILE   69  QD1  5.50  0EGO 631
NOEUPP  GLN   67  QB  HIS   68  HN   4.26     2HG  ILE   69  QD1  5.50  0EGO 632
NOEUPP  GLN   67 3HG  ILE   69  QD1  5.50      QG  HIS   68  HN   5.38  0EGO 633
NOEUPP  HIS   68  HN  HIS   68 2HB   3.40      HN  HIS   68 3HB   3.20  0EGO 634
NOEUPP  HIS   68  HA  HIS   68  HD2  3.20      HA  ILE   69  HN   3.00  0EGO 635
NOEUPP  HIS   68  HA  GLY   70  HN   4.40      HD2 ILE   69  HN   4.50  0EGO 636
NOEUPP  HIS   68  HD2 GLY   70  HN   4.50      HE1 GLY   70 1HA   4.40  0EGO 637
NOEUPP  HIS   68  HE1 GLY   70 2HA   4.40      HE1 GLY   70  QA   3.97  0EGO 638
NOEUPP  ILE   69  HN  ILE   69  HB   3.50      HN  ILE   69 2HG1  4.50  0EGO 639
NOEUPP  ILE   69  HN  ILE   69 3HG1  4.50      HN  ILE   69  QD1  5.50  0EGO 640
NOEUPP  ILE   69  HN  GLY   70  HN   3.30      HA  ILE   69  QG2  3.50  0EGO 641
NOEUPP  ILE   69  HA  ILE   69  QD1  3.00      HB  GLY   70  HN   3.20  0EGO 642
NOEUPP  ILE   69  QG2 GLY   70  HN   5.50      QG2 ASP   74  QB   6.38  0EGO 643
NOEUPP  ILE   69  QG2 PHE   75  HA   3.30      QG2 PHE   75  CG   7.50  0EGO 644
NOEUPP  ILE   69  QG2 TRP   78 2HB   5.50      QG2 TRP   78 3HB   5.20  0EGO 645
NOEUPP  ILE   69  QG2 TRP   78  HD1  5.50      QG2 TRP   78  HE1  5.50  0EGO 646
NOEUPP  ILE   69 2HG1 GLY   70  HN   4.50      QD1 PHE   75  CG   7.50  0EGO 647
NOEUPP  ILE   69  QD1 TRP   78  HD1  5.30      QD1 TRP   78  HE1  5.50  0EGO 648
NOEUPP  TYR   72  CG  THR   73  HA   6.50      CG  THR   73  QG2  7.50  0EGO 649
NOEUPP  TYR   72  CZ  THR   73  HA   6.50      CZ  THR   73  QG2  7.50  0EGO 650
NOEUPP  TYR   72  CZ  ALA   76  QB   7.50                               0EGO 651
NOEUPP  THR   73  HA  THR   73  HB   2.80      HA  THR   73  QG2  3.30  0EGO 652
NOEUPP  THR   73  HA  ALA   76  HN   4.50      HA  ALA   76  QB   3.20  0EGO 653
NOEUPP  ASP   74  HA  ALA   77  HN   4.50      HA  ALA   77  QB   4.50  0EGO 654
NOEUPP  PHE   75  HN  PHE   75 2HB   3.90      HN  PHE   75 3HB   3.90  0EGO 655
NOEUPP  PHE   75  HN  ALA   76  HN   4.50      HA  PHE   75  CZ   5.10  0EGO 656
NOEUPP  PHE   75  HA  TRP   78  HN   4.40      HA  TRP   78 2HB   3.60  0EGO 657
NOEUPP  PHE   75  HA  TRP   78 3HB   3.90      CG  TRP   78 3HB   6.50  0EGO 658
NOEUPP  PHE   75  CG  TRP   78  HE3  6.50      HZ  VAL   79  QG2  5.50  0EGO 659
NOEUPP  ALA   76  HN  ALA   77  HN   3.80      HA  VAL   79  HN   3.90  0EGO 660
NOEUPP  ALA   76  HA  VAL   79  HB   3.20      HA  VAL   79  QG2  5.10  0EGO 661
NOEUPP  ALA   77  HN  ALA   77  QB   2.90      HN  TRP   78  HN   3.40  0EGO 662
NOEUPP  ALA   77  HA  LYS   80  HN   4.00      HA  LYS   80 2HB   3.40  0EGO 663
NOEUPP  ALA   77  HA  LYS   80 3HB   3.40      HA  LYS   80  QB   3.18  0EGO 664
NOEUPP  ALA   77  QB  TRP   78  HN   4.40                               0EGO 665
NOEUPP  TRP   78  HN  TRP   78 2HB   3.20      HN  TRP   78 3HB   3.30  0EGO 666
NOEUPP  TRP   78  HN  VAL   79  HN   3.60      HA  TRP   78  HD1  3.70  0EGO 667
NOEUPP  TRP   78  HA  GLU   81  HN   4.50      HA  GLU   81 2HB   4.50  0EGO 668
NOEUPP  TRP   78  HA  GLU   81 3HB   4.50      HA  GLU   81  QB   4.17  0EGO 669
NOEUPP  TRP   78  HA  ASN   82 1HD2  4.10      HA  ASN   82 2HD2  4.50  0EGO 670
NOEUPP  TRP   78 2HB  TRP   78  HD1  3.50     3HB  TRP   78  HE3  3.90  0EGO 671
NOEUPP  TRP   78 3HB  VAL   79  HN   3.70      HD1 ASN   82 1HD2  4.50  0EGO 672
NOEUPP  TRP   78  HD1 ASN   82 2HD2  4.50      HE3 VAL   79  HA   3.60  0EGO 673
NOEUPP  TRP   78  HE3 VAL   79  QG1  5.50      HE3 VAL   79  QG2  3.40  0EGO 674
NOEUPP  TRP   78  HE1 ASN   82 1HD2  4.50      HE1 ASN   82 2HD2  4.50  0EGO 675
NOEUPP  TRP   78  HZ3 VAL   79  HA   4.50      HZ3 VAL   79  QG1  5.50  0EGO 676
NOEUPP  TRP   78  HZ3 VAL   79  QG2  5.20      HZ3 LEU   83  HG   4.50  0EGO 677
NOEUPP  TRP   78  HZ3 LEU   83  QD1  4.60      HZ3 LEU   83  QD2  5.50  0EGO 678
NOEUPP  TRP   78  HZ2 LEU   83  QD2  5.50      HH2 LEU   83  QD1  5.50  0EGO 679
NOEUPP  TRP   78  HH2 LEU   83  QD2  5.50                               0EGO 680
NOEUPP  VAL   79  HN  VAL   79  HB   3.70      HN  VAL   79  QG2  3.60  0EGO 681
NOEUPP  VAL   79  HN  LYS   80  HN   3.50      HA  VAL   79  QG2  3.60  0EGO 682
NOEUPP  VAL   79  HA  ASN   82  HN   4.40      HA  LEU   83  HN   3.70  0EGO 683
NOEUPP  VAL   79  HA  LEU   83  HG   3.80      HA  LEU   83  QD1  5.50  0EGO 684
NOEUPP  VAL   79  HA  LEU   83  QD2  5.50      HB  LYS   80  HN   3.20  0EGO 685
NOEUPP  VAL   79  QG1 LYS   80  HA   5.50      QG1 LYS   80  QG   6.38  0EGO 686
NOEUPP  LYS   80  HN  LYS   80 2HG   4.50      HN  LYS   80 3HG   4.50  0EGO 687
NOEUPP  LYS   80  HN  LYS   80  QG   4.21      HN  GLU   81  HN   3.20  0EGO 688
NOEUPP  LYS   80  HA  LYS   80  QE   5.08     2HB  GLU   81  HN   4.50  0EGO 689
NOEUPP  LYS   80 3HB  GLU   81  HN   4.50                               0EGO 690
NOEUPP  GLU   81  HN  GLU   81  QB   3.50      HN  GLU   81 2HG   4.50  0EGO 691
NOEUPP  GLU   81  HN  GLU   81 3HG   4.50      HA  ASP   84  HN   4.30  0EGO 692
NOEUPP  GLU   81 2HB  ASN   82  HN   4.50     3HB  ASN   82  HN   4.50  0EGO 693
NOEUPP  GLU   81  QG  ASN   82  HN   5.38                               0EGO 694
NOEUPP  ASN   82  HN  ASN   82  QB   3.68      HN  ASN   82 1HD2  4.30  0EGO 695
NOEUPP  ASN   82  HN  ASN   82 2HD2  4.50      HN  LEU   83  HN   2.90  0EGO 696
NOEUPP  ASN   82  HA  ALA   85  HN   4.50     2HB  LEU   83  HN   4.20  0EGO 697
NOEUPP  ASN   82 3HB  LEU   83  HN   4.20      QB  LEU   83  HN   4.01  0EGO 698
NOEUPP  LEU   83  HN  LEU   83 2HB   3.90      HN  LEU   83 3HB   3.90  0EGO 699
NOEUPP  LEU   83  HN  LEU   83  QB   3.55      HN  LEU   83  HG   4.00  0EGO 700
NOEUPP  LEU   83  HN  LEU   83  QD1  5.50      HN  LEU   83  QD2  5.50  0EGO 701
NOEUPP  LEU   83  HN  ASP   84  HN   3.00      HA  LEU   83  HG   4.00  0EGO 702
NOEUPP  LEU   83  HA  LEU   83  QD1  5.50      HA  LEU   83  QD2  2.70  0EGO 703
NOEUPP  LEU   83  QB  ASP   84  HN   5.28                               0EGO 704
NOEUPP  ASP   84  HN  ASP   84 2HB   3.90      HN  ASP   84 3HB   3.90  0EGO 705
NOEUPP  ASP   84  HN  ASP   84  QB   3.55      HN  ALA   85  HN   3.60  0EGO 706
NOEUPP  ASP   84  HA  ALA   85  HN   3.50                               0EGO 707
SSUPP   CYS   11  CB  CYS   14  SG   3.10      SG  CYS   14  CB   3.10  0EGO 708
SSUPP   CYS   11  SG  CYS   14  SG   2.10                               0EGO 709
SSLOW   CYS   11  SG  CYS   14  SG   2.00      CB  CYS   14  SG   3.00  0EGO 710
SSLOW   CYS   11  SG  CYS   14  CB   3.00                               0EGO 711
ANGLE   GLN    2 PHI     35.00  285.00                                  0EGO 712
ANGLE   THR    3 PHI     45.00  285.00                                  0EGO 713
ANGLE   VAL    4 PHI     35.00  285.00                                  0EGO 714
ANGLE   ILE    5 PHI     45.00  285.00                                  0EGO 715
ANGLE   PHE    6 PHI     55.00  275.00                                  0EGO 716
ANGLE   ARG    8 PHI     35.00  315.00                                  0EGO 717
ANGLE   SER    9 PHI     35.00  305.00                                  0EGO 718
ANGLE   CYS   14 PHI     35.00  305.00                                  0EGO 719
ANGLE   VAL   15 PHI    165.00  315.00                                  0EGO 720
ANGLE   LYS   18 PHI     55.00  305.00                                  0EGO 721
ANGLE   ASP   19 PHI    175.00  325.00                                  0EGO 722
ANGLE   LEU   20 PHI    -75.00  -45.00                                  0EGO 723
ANGLE   GLU   22 PHI    175.00  325.00                                  0EGO 724
ANGLE   LYS   23 PHI    -75.00  -35.00                                  0EGO 725
ANGLE   LEU   24 PHI    155.00  325.00                                  0EGO 726
ANGLE   SER   25 PHI     85.00  325.00                                  0EGO 727
ANGLE   ASN   26 PHI     75.00  295.00                                  0EGO 728
ANGLE   GLU   27 PHI   -165.00  -75.00                                  0EGO 729
ANGLE   ARG   28 PHI   -155.00  -85.00                                  0EGO 730
ANGLE   ASP   29 PHI     35.00  285.00                                  0EGO 731
ANGLE   ASP   30 PHI     45.00  285.00                                  0EGO 732
ANGLE   PHE   31 PHI   -165.00   55.00                                  0EGO 733
ANGLE   GLN   32 PHI     55.00  275.00                                  0EGO 734
ANGLE   TYR   33 PHI     35.00  295.00                                  0EGO 735
ANGLE   GLN   34 PHI     45.00  285.00                                  0EGO 736
ANGLE   TYR   35 PHI   -165.00  -75.00                                  0EGO 737
ANGLE   VAL   36 PHI     45.00  285.00                                  0EGO 738
ANGLE   ASP   37 PHI   -175.00   65.00                                  0EGO 739
ANGLE   ILE   38 PHI     35.00  315.00                                  0EGO 740
ANGLE   GLU   41 PHI   -165.00  -75.00                                  0EGO 741
ANGLE   ILE   43 PHI   -165.00   65.00                                  0EGO 742
ANGLE   THR   44 PHI     35.00  285.00                                  0EGO 743
ANGLE   GLU   46 PHI     85.00  325.00                                  0EGO 744
ANGLE   ASP   47 PHI     85.00  325.00                                  0EGO 745
ANGLE   LEU   48 PHI    165.00  325.00                                  0EGO 746
ANGLE   GLN   49 PHI    155.00  325.00                                  0EGO 747
ANGLE   LYS   51 PHI    175.00  315.00                                  0EGO 748
ANGLE   LYS   54 PHI     35.00  305.00                                  0EGO 749
ANGLE   VAL   56 PHI     35.00  295.00                                  0EGO 750
ANGLE   VAL   59 PHI   -155.00  -85.00                                  0EGO 751
ANGLE   GLN   61 PHI     35.00  285.00                                  0EGO 752
ANGLE   ILE   62 PHI     35.00  285.00                                  0EGO 753
ANGLE   PHE   63 PHI     45.00  285.00                                  0EGO 754
ANGLE   VAL   64 PHI     35.00  285.00                                  0EGO 755
ANGLE   ASP   65 PHI     55.00  305.00                                  0EGO 756
ANGLE   GLN   67 PHI   -165.00   65.00                                  0EGO 757
ANGLE   HIS   68 PHI   -185.00   45.00                                  0EGO 758
ANGLE   ILE   69 PHI   -155.00  -85.00                                  0EGO 759
ANGLE   TYR   72 PHI     35.00  305.00                                  0EGO 760
ANGLE   TRP   78 PHI   -175.00  -35.00                                  0EGO 761
ANGLE   VAL   79 PHI     85.00  325.00                                  0EGO 762
ANGLE   LYS   80 PHI     85.00  325.00                                  0EGO 763
ANGLE   GLU   81 PHI   -175.00   55.00                                  0EGO 764
ANGLE   ASN   82 PHI   -155.00  -85.00                                  0EGO 765
ANGLE   LEU   83 PHI   -155.00  -85.00                                  0EGO 766
ANGLE   ASP   84 PHI     35.00  295.00                                  0EGO 767
ANGLE   PHE    6 CHI1  -275.00   35.00                                  0EGO 768
ANGLE   TYR   13 CHI1  -275.00   35.00                                  0EGO 769
ANGLE   LEU   24 CHI1   155.00  325.00                                  0EGO 770
ANGLE   GLU   27 CHI1  -105.00  135.00                                  0EGO 771
ANGLE   ARG   28 CHI1   155.00  325.00                                  0EGO 772
ANGLE   PHE   31 CHI1   155.00  325.00                                  0EGO 773
ANGLE   GLN   32 CHI1   155.00  325.00                                  0EGO 774
ANGLE   TYR   35 CHI1  -205.00   35.00                                  0EGO 775
ANGLE   GLU   41 CHI1   155.00  325.00                                  0EGO 776
ANGLE   LEU   48 CHI1   155.00  325.00                                  0EGO 777
ANGLE   GLN   49 CHI1  -205.00   35.00                                  0EGO 778
ANGLE   GLU   57 CHI1   -15.00  135.00                                  0EGO 779
ANGLE   GLN   61 CHI1   155.00  325.00                                  0EGO 780
ANGLE   PHE   63 CHI1   155.00  325.00                                  0EGO 781
ANGLE   HIS   68 CHI1  -255.00   35.00                                  0EGO 782
ANGLE   TRP   78 CHI1   155.00  225.00                                  0EGO 783
ANGLE   ASN   82 CHI1   155.00  325.00                                  0EGO 784
ANGLE   LEU   83 CHI1   155.00  325.00                                  0EGO 785
MASTER        0    0  181   98  423    2   74                           0EGO 786
END                                                                     0EGO 787


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 868 H/Q atoms
  Start of MODEL    1
    1    H    MET   1           HN       MET   1  -9.337  -3.989   8.448
    2    HA   MET   1           HA       MET   1  -9.358  -4.178   6.190
    3   1HB   MET   1          2HB       MET   1  -8.055  -1.439   6.400
    4   2HB   MET   1          3HB       MET   1  -8.456  -2.181   4.857
    5   1HG   MET   1          2HG       MET   1 -10.807  -2.290   5.463
    6   2HG   MET   1          3HG       MET   1 -10.464  -1.741   7.085
    7   1HE   MET   1          1HE       MET   1  -9.858  -1.061   3.517
    8   2HE   MET   1          2HE       MET   1 -10.381   0.588   3.211
    9   3HE   MET   1          3HE       MET   1  -8.777   0.285   3.880
   10    QB   MET   1           QB       MET   1  -8.255  -1.810   5.629
   11    QG   MET   1           QG       MET   1 -10.635  -2.015   6.274
   12    QE   MET   1           QE       MET   1  -9.672  -0.062   3.536
   13    H    GLN   2           HN       GLN   2  -7.771  -4.269   4.231
   14    HA   GLN   2           HA       GLN   2  -5.113  -5.157   5.226
   15   1HB   GLN   2          2HB       GLN   2  -6.378  -7.126   4.782
   16   2HB   GLN   2          3HB       GLN   2  -7.054  -6.446   3.310
   17   1HG   GLN   2          2HG       GLN   2  -5.414  -7.957   2.594
   18   2HG   GLN   2          3HG       GLN   2  -4.639  -6.406   2.401
   19   1HE2  GLN   2          2HE2      GLN   2  -1.978  -7.448   4.486
   20   2HE2  GLN   2          1HE2      GLN   2  -2.452  -6.581   3.107
   21    QB   GLN   2           QB       GLN   2  -6.716  -6.786   4.046
   22    QG   GLN   2           QG       GLN   2  -5.026  -7.181   2.498
   23    QE2  GLN   2           QE2      GLN   2  -2.215  -7.014   3.797
   24    H    THR   3           HN       THR   3  -3.373  -4.672   3.868
   25    HA   THR   3           HA       THR   3  -4.062  -3.199   1.344
   26    HB   THR   3           HB       THR   3  -1.968  -2.476   3.441
   27    HG1  THR   3          1HG       THR   3  -4.489  -2.016   3.210
   28   1HG2  THR   3          3HG2      THR   3  -2.652  -1.076   0.810
   29   2HG2  THR   3          1HG2      THR   3  -1.483  -0.529   2.007
   30   3HG2  THR   3          2HG2      THR   3  -1.162  -1.980   1.066
   31    QG2  THR   3           QG2      THR   3  -1.765  -1.195   1.295
   32    H    VAL   4           HN       VAL   4  -2.501  -3.367  -0.343
   33    HA   VAL   4           HA       VAL   4  -0.467  -5.566  -0.038
   34    HB   VAL   4           HB       VAL   4  -2.176  -5.208  -2.507
   35   1HG1  VAL   4          3HG1      VAL   4  -0.081  -6.514  -2.693
   36   2HG1  VAL   4          1HG1      VAL   4  -0.604  -7.548  -1.368
   37   3HG1  VAL   4          2HG1      VAL   4  -1.485  -7.561  -2.893
   38   1HG2  VAL   4          1HG2      VAL   4  -2.781  -7.037  -0.150
   39   2HG2  VAL   4          2HG2      VAL   4  -3.757  -5.660  -0.662
   40   3HG2  VAL   4          3HG2      VAL   4  -3.617  -7.070  -1.700
   41    QG1  VAL   4           QG1      VAL   4  -0.723  -7.207  -2.318
   42    QG2  VAL   4           QG2      VAL   4  -3.385  -6.589  -0.837
   43    QQG  VAL   4           QQG      VAL   4  -2.054  -6.898  -1.577
   44    H    ILE   5           HN       ILE   5   1.477  -4.858  -0.710
   45    HA   ILE   5           HA       ILE   5   1.521  -2.463  -2.523
   46    HB   ILE   5           HB       ILE   5   3.851  -3.480  -0.862
   47   1HG1  ILE   5          2HG1      ILE   5   1.790  -1.379  -0.051
   48   2HG1  ILE   5          3HG1      ILE   5   1.922  -2.984   0.651
   49   1HG2  ILE   5          3HG2      ILE   5   4.316  -1.924  -2.752
   50   2HG2  ILE   5          1HG2      ILE   5   3.173  -0.768  -2.079
   51   3HG2  ILE   5          2HG2      ILE   5   4.651  -1.153  -1.210
   52   1HD1  ILE   5          3HD1      ILE   5   4.218  -2.479   1.411
   53   2HD1  ILE   5          1HD1      ILE   5   4.087  -0.865   0.717
   54   3HD1  ILE   5          2HD1      ILE   5   3.055  -1.328   2.068
   55    QG1  ILE   5           QG1      ILE   5   1.856  -2.181   0.300
   56    QG2  ILE   5           QG2      ILE   5   4.047  -1.281  -2.013
   57    QD1  ILE   5           QD1      ILE   5   3.787  -1.557   1.399
   58    H    PHE   6           HN       PHE   6   2.103  -2.887  -4.589
   59    HA   PHE   6           HA       PHE   6   3.501  -5.453  -5.197
   60   1HB   PHE   6          2HB       PHE   6   1.884  -3.545  -6.941
   61   2HB   PHE   6          3HB       PHE   6   2.777  -4.910  -7.579
   62    HD1  PHE   6           HD2      PHE   6   0.150  -4.178  -4.965
   63    HD2  PHE   6           HD1      PHE   6   1.667  -6.924  -7.842
   64    HE1  PHE   6           HE2      PHE   6  -1.794  -5.643  -4.609
   65    HE2  PHE   6           HE1      PHE   6  -0.253  -8.396  -7.456
   66    HZ   PHE   6           HZ       PHE   6  -1.983  -7.760  -5.836
   67    QB   PHE   6           QB       PHE   6   2.331  -4.227  -7.260
   68    QR   PHE   6           QR       PHE   6  -0.057  -6.285  -6.218
   69    H    GLY   7           HN       GLY   7   5.497  -4.362  -4.417
   70   1HA   GLY   7          1HA       GLY   7   6.769  -2.899  -6.648
   71   2HA   GLY   7          2HA       GLY   7   6.715  -2.027  -5.110
   72    QA   GLY   7           QA       GLY   7   6.742  -2.463  -5.879
   73    NH1  ARG   8           NH1      ARG   8  14.207  -5.990  -7.690
   74    NH2  ARG   8           NH2      ARG   8  13.504  -7.193  -5.893
   75    H    ARG   8           HN       ARG   8   9.142  -2.256  -5.604
   76    HA   ARG   8           HA       ARG   8  10.063  -4.824  -4.358
   77   1HB   ARG   8          2HB       ARG   8  11.711  -3.155  -6.291
   78   2HB   ARG   8          3HB       ARG   8  12.059  -4.769  -5.688
   79   1HG   ARG   8          2HG       ARG   8   9.802  -5.441  -6.802
   80   2HG   ARG   8          3HG       ARG   8   9.950  -3.917  -7.672
   81   1HD   ARG   8          2HD       ARG   8  10.987  -5.620  -9.033
   82   2HD   ARG   8          3HD       ARG   8  12.286  -4.640  -8.352
   83    HE   ARG   8           HE       ARG   8  11.453  -7.340  -7.301
   84   1HH1  ARG   8          2HH1      ARG   8  13.988  -5.554  -8.557
   85   2HH1  ARG   8          1HH1      ARG   8  15.140  -5.959  -7.343
   86   1HH2  ARG   8          2HH2      ARG   8  12.740  -7.621  -5.394
   87   2HH2  ARG   8          1HH2      ARG   8  14.422  -7.234  -5.515
   88    QB   ARG   8           QB       ARG   8  11.885  -3.962  -5.989
   89    QG   ARG   8           QG       ARG   8   9.876  -4.679  -7.237
   90    QD   ARG   8           QD       ARG   8  11.637  -5.130  -8.692
   91    QH1  ARG   8           QH1      ARG   8  14.564  -5.756  -7.950
   92    QH2  ARG   8           QH2      ARG   8  13.581  -7.427  -5.454
   93    H    SER   9           HN       SER   9  11.922  -4.615  -2.988
   94    HA   SER   9           HA       SER   9  11.895  -2.200  -1.411
   95   1HB   SER   9          2HB       SER   9  13.875  -4.514  -1.325
   96   2HB   SER   9          3HB       SER   9  13.541  -3.357  -0.024
   97    HG   SER   9           HG       SER   9  12.263  -5.259   0.210
   98    QB   SER   9           QB       SER   9  13.708  -3.935  -0.674
   99    H    GLY  10           HN       GLY  10  12.455  -0.715  -3.212
  100   1HA   GLY  10          1HA       GLY  10  14.757   0.654  -3.036
  101   2HA   GLY  10          2HA       GLY  10  15.344  -0.732  -3.937
  102    QA   GLY  10           QA       GLY  10  15.051  -0.039  -3.486
  103    H    CYS  11           HN       CYS  11  12.133   0.277  -4.612
  104    HA   CYS  11           HA       CYS  11  13.059   1.701  -7.072
  105   1HB   CYS  11          2HB       CYS  11  10.673   0.882  -7.852
  106   2HB   CYS  11          3HB       CYS  11  12.081  -0.130  -8.001
  107    QB   CYS  11           QB       CYS  11  11.377   0.376  -7.926
  108    HA   PRO  12           HA       PRO  12  12.207   4.403  -3.797
  109   1HB   PRO  12          2HB       PRO  12  11.029   6.365  -5.735
  110   2HB   PRO  12          3HB       PRO  12  12.261   6.612  -4.494
  111   1HG   PRO  12          2HG       PRO  12  12.764   6.205  -7.246
  112   2HG   PRO  12          3HG       PRO  12  13.963   6.077  -5.956
  113   1HD   PRO  12          2HD       PRO  12  12.953   3.940  -7.600
  114   2HD   PRO  12          3HD       PRO  12  14.054   3.788  -6.214
  115    QB   PRO  12           QB       PRO  12  11.645   6.489  -5.114
  116    QG   PRO  12           QG       PRO  12  13.364   6.141  -6.601
  117    QD   PRO  12           QD       PRO  12  13.504   3.864  -6.907
  118    OH   TYR  13           OH       TYR  13   5.670   9.443  -8.756
  119    H    TYR  13           HN       TYR  13   9.477   5.135  -5.983
  120    HA   TYR  13           HA       TYR  13   7.414   5.568  -4.253
  121   1HB   TYR  13          2HB       TYR  13   7.509   3.946  -6.775
  122   2HB   TYR  13          3HB       TYR  13   5.989   4.097  -5.906
  123    HD1  TYR  13           HD1      TYR  13   6.755   7.133  -5.034
  124    HD2  TYR  13           HD2      TYR  13   6.544   5.018  -8.734
  125    HE1  TYR  13           HE1      TYR  13   6.197   9.204  -6.198
  126    HE2  TYR  13           HE2      TYR  13   5.932   7.095  -9.874
  127    HH   TYR  13           HH       TYR  13   6.460   9.786  -9.186
  128    QB   TYR  13           QB       TYR  13   6.749   4.022  -6.340
  129    QR   TYR  13           QR       TYR  13   6.357   7.113  -7.460
  130    H    CYS  14           HN       CYS  14   8.603   2.369  -5.076
  131    HA   CYS  14           HA       CYS  14   6.756   0.748  -3.704
  132   1HB   CYS  14          2HB       CYS  14   9.757   0.340  -3.880
  133   2HB   CYS  14          3HB       CYS  14   8.567  -0.909  -3.653
  134    QB   CYS  14           QB       CYS  14   9.162  -0.284  -3.766
  135    H    VAL  15           HN       VAL  15   9.835   2.015  -2.556
  136    HA   VAL  15           HA       VAL  15   9.609   1.066   0.112
  137    HB   VAL  15           HB       VAL  15  11.084   3.519  -0.898
  138   1HG1  VAL  15          2HG1      VAL  15  11.441   1.813   1.606
  139   2HG1  VAL  15          3HG1      VAL  15  12.479   3.150   1.126
  140   3HG1  VAL  15          1HG1      VAL  15  10.805   3.456   1.577
  141   1HG2  VAL  15          1HG2      VAL  15  11.942   0.619  -0.539
  142   2HG2  VAL  15          2HG2      VAL  15  11.692   1.429  -2.082
  143   3HG2  VAL  15          3HG2      VAL  15  13.004   1.939  -1.024
  144    QG1  VAL  15           QG1      VAL  15  11.575   2.807   1.437
  145    QG2  VAL  15           QG2      VAL  15  12.213   1.329  -1.215
  146    QQG  VAL  15           QQG      VAL  15  11.894   2.068   0.111
  147    NH1  ARG  16           NH2      ARG  16   5.930   7.621   1.782
  148    NH2  ARG  16           NH1      ARG  16   7.454   8.096   3.409
  149    H    ARG  16           HN       ARG  16   8.761   4.115  -1.437
  150    HA   ARG  16           HA       ARG  16   7.793   5.456   0.858
  151   1HB   ARG  16          2HB       ARG  16   7.076   5.702  -2.049
  152   2HB   ARG  16          3HB       ARG  16   6.297   6.700  -0.843
  153   1HG   ARG  16          2HG       ARG  16   9.303   6.529  -0.920
  154   2HG   ARG  16          3HG       ARG  16   8.455   7.605  -2.019
  155   1HD   ARG  16          2HD       ARG  16   9.131   8.778   0.078
  156   2HD   ARG  16          3HD       ARG  16   7.380   8.751  -0.111
  157    HE   ARG  16           HE       ARG  16   8.765   6.722   1.631
  158   1HH1  ARG  16          1HH2      ARG  16   5.733   7.341   0.840
  159   2HH1  ARG  16          2HH2      ARG  16   5.170   7.806   2.396
  160   1HH2  ARG  16          2HH1      ARG  16   8.414   8.158   3.686
  161   2HH2  ARG  16          1HH1      ARG  16   6.732   8.309   4.071
  162    QB   ARG  16           QB       ARG  16   6.687   6.201  -1.446
  163    QG   ARG  16           QG       ARG  16   8.879   7.067  -1.469
  164    QD   ARG  16           QD       ARG  16   8.256   8.765  -0.016
  165    QH1  ARG  16           QH2      ARG  16   5.452   7.574   1.618
  166    QH2  ARG  16           QH1      ARG  16   7.573   8.234   3.879
  167    H    ALA  17           HN       ALA  17   5.868   3.571  -1.420
  168    HA   ALA  17           HA       ALA  17   3.383   3.745  -0.097
  169   1HB   ALA  17          2HB       ALA  17   3.711   2.615  -2.302
  170   2HB   ALA  17          3HB       ALA  17   4.570   1.315  -1.490
  171   3HB   ALA  17          1HB       ALA  17   2.855   1.571  -1.172
  172    QB   ALA  17           QB       ALA  17   3.712   1.834  -1.654
  173    H    LYS  18           HN       LYS  18   6.001   1.393   0.275
  174    HA   LYS  18           HA       LYS  18   4.955  -0.076   2.446
  175   1HB   LYS  18          2HB       LYS  18   6.884  -0.957   1.459
  176   2HB   LYS  18          3HB       LYS  18   7.726   0.575   1.486
  177   1HG   LYS  18          2HG       LYS  18   7.014  -0.502   4.162
  178   2HG   LYS  18          3HG       LYS  18   8.178  -1.457   3.257
  179   1HD   LYS  18          2HD       LYS  18   9.540   0.614   2.862
  180   2HD   LYS  18          3HD       LYS  18   8.411   1.511   3.849
  181   1HE   LYS  18          2HE       LYS  18  10.058  -0.837   4.796
  182   2HE   LYS  18          3HE       LYS  18  10.362   0.860   5.165
  183   1HZ   LYS  18          3HZ       LYS  18   7.713   0.386   5.819
  184   2HZ   LYS  18          1HZ       LYS  18   8.569  -0.930   6.446
  185   3HZ   LYS  18          2HZ       LYS  18   8.994   0.636   6.901
  186    QB   LYS  18           QB       LYS  18   7.305  -0.191   1.473
  187    QG   LYS  18           QG       LYS  18   7.596  -0.979   3.710
  188    QD   LYS  18           QD       LYS  18   8.976   1.063   3.356
  189    QE   LYS  18           QE       LYS  18  10.210   0.012   4.981
  190    QZ   LYS  18           QZ       LYS  18   8.426   0.031   6.389
  191    H    ASP  19           HN       ASP  19   7.159   2.725   2.664
  192    HA   ASP  19           HA       ASP  19   7.199   3.084   5.402
  193   1HB   ASP  19          2HB       ASP  19   6.840   5.347   3.393
  194   2HB   ASP  19          3HB       ASP  19   7.595   5.456   4.969
  195    QB   ASP  19           QB       ASP  19   7.218   5.402   4.181
  196    H    LEU  20           HN       LEU  20   4.901   4.559   3.170
  197    HA   LEU  20           HA       LEU  20   3.229   5.752   5.098
  198   1HB   LEU  20          2HB       LEU  20   3.175   6.141   2.609
  199   2HB   LEU  20          3HB       LEU  20   2.378   4.592   2.420
  200    HG   LEU  20           HG       LEU  20   0.459   5.366   3.747
  201   1HD1  LEU  20          3HD1      LEU  20   2.034   7.966   4.003
  202   2HD1  LEU  20          1HD1      LEU  20   0.349   7.756   4.475
  203   3HD1  LEU  20          2HD1      LEU  20   1.609   6.877   5.325
  204   1HD2  LEU  20          2HD2      LEU  20   1.313   7.389   1.647
  205   2HD2  LEU  20          3HD2      LEU  20   0.478   5.874   1.328
  206   3HD2  LEU  20          1HD2      LEU  20  -0.341   7.152   2.219
  207    QB   LEU  20           QB       LEU  20   2.777   5.367   2.515
  208    QD1  LEU  20           QD1      LEU  20   1.331   7.533   4.601
  209    QD2  LEU  20           QD2      LEU  20   0.484   6.805   1.732
  210    QQD  LEU  20           QQD      LEU  20   0.907   7.169   3.166
  211    H    ALA  21           HN       ALA  21   2.700   2.604   3.479
  212    HA   ALA  21           HA       ALA  21   0.364   1.899   4.956
  213   1HB   ALA  21          1HB       ALA  21   2.516   0.051   3.853
  214   2HB   ALA  21          2HB       ALA  21   0.914  -0.458   4.368
  215   3HB   ALA  21          3HB       ALA  21   1.092   0.599   2.973
  216    QB   ALA  21           QB       ALA  21   1.508   0.064   3.732
  217    H    GLU  22           HN       GLU  22   3.764   1.038   5.529
  218    HA   GLU  22           HA       GLU  22   3.435  -0.465   7.868
  219   1HB   GLU  22          2HB       GLU  22   5.557  -0.036   6.562
  220   2HB   GLU  22          3HB       GLU  22   5.646   1.545   7.324
  221   1HG   GLU  22          2HG       GLU  22   6.084   0.647   9.435
  222   2HG   GLU  22          3HG       GLU  22   5.327  -0.899   9.061
  223    QB   GLU  22           QB       GLU  22   5.602   0.755   6.943
  224    QG   GLU  22           QG       GLU  22   5.706  -0.126   9.248
  225    H    LYS  23           HN       LYS  23   3.821   3.024   7.473
  226    HA   LYS  23           HA       LYS  23   3.637   3.817  10.164
  227   1HB   LYS  23          2HB       LYS  23   3.999   5.205   7.986
  228   2HB   LYS  23          3HB       LYS  23   2.253   5.309   7.923
  229   1HG   LYS  23          2HG       LYS  23   3.746   6.052  10.443
  230   2HG   LYS  23          3HG       LYS  23   3.575   7.207   9.140
  231   1HD   LYS  23          2HD       LYS  23   1.209   5.827  10.476
  232   2HD   LYS  23          3HD       LYS  23   1.840   7.392  10.947
  233   1HE   LYS  23          2HE       LYS  23   1.530   8.051   8.440
  234   2HE   LYS  23          3HE       LYS  23   0.484   6.638   8.355
  235   1HZ   LYS  23          1HZ       LYS  23  -0.268   8.027  10.642
  236   2HZ   LYS  23          2HZ       LYS  23  -0.090   9.190   9.425
  237   3HZ   LYS  23          3HZ       LYS  23  -1.146   7.903   9.190
  238    QB   LYS  23           QB       LYS  23   3.126   5.257   7.955
  239    QG   LYS  23           QG       LYS  23   3.661   6.630   9.792
  240    QD   LYS  23           QD       LYS  23   1.525   6.610  10.712
  241    QE   LYS  23           QE       LYS  23   1.007   7.345   8.398
  242    QZ   LYS  23           QZ       LYS  23  -0.501   8.374   9.753
  243    H    LEU  24           HN       LEU  24   0.876   3.783   7.889
  244    HA   LEU  24           HA       LEU  24  -1.213   4.361   9.604
  245   1HB   LEU  24          2HB       LEU  24  -1.128   2.261   7.423
  246   2HB   LEU  24          3HB       LEU  24  -2.616   2.738   8.231
  247    HG   LEU  24           HG       LEU  24  -0.765   4.743   6.898
  248   1HD1  LEU  24          1HD1      LEU  24  -3.213   3.314   5.801
  249   2HD1  LEU  24          2HD1      LEU  24  -2.393   4.653   5.013
  250   3HD1  LEU  24          3HD1      LEU  24  -1.567   3.121   5.221
  251   1HD2  LEU  24          1HD2      LEU  24  -3.687   4.844   7.744
  252   2HD2  LEU  24          2HD2      LEU  24  -2.363   5.620   8.603
  253   3HD2  LEU  24          3HD2      LEU  24  -2.800   6.162   6.992
  254    QB   LEU  24           QB       LEU  24  -1.872   2.500   7.827
  255    QD1  LEU  24           QD1      LEU  24  -2.391   3.696   5.345
  256    QD2  LEU  24           QD2      LEU  24  -2.950   5.542   7.780
  257    QQD  LEU  24           QQD      LEU  24  -2.670   4.619   6.563
  258    H    SER  25           HN       SER  25   0.168   1.156   9.205
  259    HA   SER  25           HA       SER  25  -1.386  -0.457  10.762
  260   1HB   SER  25          2HB       SER  25   1.593  -0.459  11.274
  261   2HB   SER  25          3HB       SER  25   0.493  -1.839  11.067
  262    HG   SER  25           HG       SER  25   1.700  -0.205   9.192
  263    QB   SER  25           QB       SER  25   1.043  -1.149  11.171
  264    H    ASN  26           HN       ASN  26   0.723   2.050  12.077
  265    HA   ASN  26           HA       ASN  26   0.107   1.204  14.866
  266   1HB   ASN  26          2HB       ASN  26   2.060   3.197  13.676
  267   2HB   ASN  26          3HB       ASN  26   1.894   2.903  15.405
  268   1HD2  ASN  26          2HD2      ASN  26   4.019   0.337  13.170
  269   2HD2  ASN  26          1HD2      ASN  26   3.420   1.796  12.549
  270    QB   ASN  26           QB       ASN  26   1.977   3.050  14.541
  271    QD2  ASN  26           QD2      ASN  26   3.720   1.067  12.860
  272    H    GLU  27           HN       GLU  27  -1.544   2.947  12.838
  273    HA   GLU  27           HA       GLU  27  -2.405   4.932  14.889
  274   1HB   GLU  27          2HB       GLU  27  -1.681   5.321  12.012
  275   2HB   GLU  27          3HB       GLU  27  -3.044   6.240  12.626
  276   1HG   GLU  27          2HG       GLU  27  -1.644   7.168  14.425
  277   2HG   GLU  27          3HG       GLU  27  -0.278   6.197  13.883
  278    QB   GLU  27           QB       GLU  27  -2.362   5.781  12.319
  279    QG   GLU  27           QG       GLU  27  -0.961   6.683  14.154
  280    NH1  ARG  28           NH2      ARG  28  -6.174   6.230  12.735
  281    NH2  ARG  28           NH1      ARG  28  -7.207   7.803  11.456
  282    H    ARG  28           HN       ARG  28  -3.239   2.842  12.220
  283    HA   ARG  28           HA       ARG  28  -6.129   3.423  12.602
  284   1HB   ARG  28          2HB       ARG  28  -4.654   1.798  10.503
  285   2HB   ARG  28          3HB       ARG  28  -6.392   2.083  10.499
  286   1HG   ARG  28          2HG       ARG  28  -4.338   4.332  10.525
  287   2HG   ARG  28          3HG       ARG  28  -5.008   3.675   9.039
  288   1HD   ARG  28          2HD       ARG  28  -7.011   4.735   9.330
  289   2HD   ARG  28          3HD       ARG  28  -7.062   4.379  11.051
  290    HE   ARG  28           HE       ARG  28  -5.396   6.632   9.930
  291   1HH1  ARG  28          2HH2      ARG  28  -5.584   5.423  12.771
  292   2HH1  ARG  28          1HH2      ARG  28  -6.510   6.622  13.584
  293   1HH2  ARG  28          2HH1      ARG  28  -7.394   8.149  10.529
  294   2HH2  ARG  28          1HH1      ARG  28  -7.597   8.269  12.248
  295    QB   ARG  28           QB       ARG  28  -5.523   1.941  10.501
  296    QG   ARG  28           QG       ARG  28  -4.673   4.004   9.782
  297    QD   ARG  28           QD       ARG  28  -7.036   4.557  10.191
  298    QH1  ARG  28           QH2      ARG  28  -6.047   6.023  13.178
  299    QH2  ARG  28           QH1      ARG  28  -7.495   8.209  11.389
  300    H    ASP  29           HN       ASP  29  -3.846   0.904  13.262
  301    HA   ASP  29           HA       ASP  29  -4.060  -1.061  14.493
  302   1HB   ASP  29          2HB       ASP  29  -6.950  -0.285  14.995
  303   2HB   ASP  29          3HB       ASP  29  -5.941  -1.350  15.967
  304    QB   ASP  29           QB       ASP  29  -6.445  -0.817  15.481
  305    H    ASP  30           HN       ASP  30  -7.222  -0.646  12.879
  306    HA   ASP  30           HA       ASP  30  -7.117  -3.437  11.973
  307   1HB   ASP  30          2HB       ASP  30  -9.301  -2.567  12.590
  308   2HB   ASP  30          3HB       ASP  30  -9.098  -1.180  11.530
  309    QB   ASP  30           QB       ASP  30  -9.199  -1.873  12.060
  310    H    PHE  31           HN       PHE  31  -4.923  -2.434  11.082
  311    HA   PHE  31           HA       PHE  31  -5.344  -2.053   8.168
  312   1HB   PHE  31          2HB       PHE  31  -5.012   0.214   9.111
  313   2HB   PHE  31          3HB       PHE  31  -3.512  -0.319   9.865
  314    HD1  PHE  31           HD2      PHE  31  -5.182   0.296   6.609
  315    HD2  PHE  31           HD1      PHE  31  -1.494  -0.614   8.542
  316    HE1  PHE  31           HE2      PHE  31  -3.985   0.564   4.475
  317    HE2  PHE  31           HE1      PHE  31  -0.318  -0.340   6.427
  318    HZ   PHE  31           HZ       PHE  31  -1.557   0.254   4.384
  319    QB   PHE  31           QB       PHE  31  -4.262  -0.052   9.488
  320    QR   PHE  31           QR       PHE  31  -2.744  -0.023   6.514
  321    H    GLN  32           HN       GLN  32  -4.597  -4.139   7.833
  322    HA   GLN  32           HA       GLN  32  -1.749  -4.637   8.651
  323   1HB   GLN  32          2HB       GLN  32  -3.872  -6.663   7.826
  324   2HB   GLN  32          3HB       GLN  32  -2.254  -7.028   8.412
  325   1HG   GLN  32          2HG       GLN  32  -4.199  -5.406  10.084
  326   2HG   GLN  32          3HG       GLN  32  -4.188  -7.164  10.140
  327   1HE2  GLN  32          2HE2      GLN  32  -1.613  -7.080  12.521
  328   2HE2  GLN  32          1HE2      GLN  32  -3.072  -7.764  11.992
  329    QB   GLN  32           QB       GLN  32  -3.063  -6.845   8.119
  330    QG   GLN  32           QG       GLN  32  -4.193  -6.285  10.112
  331    QE2  GLN  32           QE2      GLN  32  -2.342  -7.422  12.257
  332    OH   TYR  33           OH       TYR  33   4.900  -3.292   7.866
  333    H    TYR  33           HN       TYR  33  -0.292  -4.656   6.985
  334    HA   TYR  33           HA       TYR  33  -1.437  -4.673   4.220
  335   1HB   TYR  33          2HB       TYR  33   0.560  -3.401   3.529
  336   2HB   TYR  33          3HB       TYR  33  -0.352  -2.553   4.769
  337    HD1  TYR  33           HD1      TYR  33   0.499  -2.540   7.156
  338    HD2  TYR  33           HD2      TYR  33   2.796  -4.161   3.945
  339    HE1  TYR  33           HE1      TYR  33   2.500  -2.476   8.548
  340    HE2  TYR  33           HE2      TYR  33   4.814  -4.043   5.345
  341    HH   TYR  33           HH       TYR  33   5.587  -2.704   7.508
  342    QB   TYR  33           QB       TYR  33   0.104  -2.977   4.149
  343    QR   TYR  33           QR       TYR  33   2.653  -3.305   6.249
  344    H    GLN  34           HN       GLN  34  -0.133  -5.676   2.561
  345    HA   GLN  34           HA       GLN  34   1.685  -7.824   3.581
  346   1HB   GLN  34          2HB       GLN  34  -0.332  -8.930   2.837
  347   2HB   GLN  34          3HB       GLN  34  -0.428  -7.939   1.390
  348   1HG   GLN  34          2HG       GLN  34   0.414 -10.193   0.829
  349   2HG   GLN  34          3HG       GLN  34   1.679  -9.010   0.544
  350   1HE2  GLN  34          2HE2      GLN  34   3.815 -11.004   2.555
  351   2HE2  GLN  34          1HE2      GLN  34   3.604 -10.174   1.085
  352    QB   GLN  34           QB       GLN  34  -0.380  -8.434   2.114
  353    QG   GLN  34           QG       GLN  34   1.047  -9.601   0.687
  354    QE2  GLN  34           QE2      GLN  34   3.710 -10.589   1.820
  355    OH   TYR  35           OH       TYR  35   9.485  -3.968  -1.543
  356    H    TYR  35           HN       TYR  35   3.495  -8.224   2.302
  357    HA   TYR  35           HA       TYR  35   4.113  -6.007   0.404
  358   1HB   TYR  35          2HB       TYR  35   5.598  -6.545   2.460
  359   2HB   TYR  35          3HB       TYR  35   6.086  -7.991   1.580
  360    HD1  TYR  35           HD1      TYR  35   6.785  -7.526  -0.965
  361    HD2  TYR  35           HD2      TYR  35   6.909  -4.606   2.135
  362    HE1  TYR  35           HE1      TYR  35   8.342  -6.192  -2.289
  363    HE2  TYR  35           HE2      TYR  35   8.525  -3.298   0.817
  364    HH   TYR  35           HH       TYR  35  10.365  -4.178  -1.183
  365    QB   TYR  35           QB       TYR  35   5.842  -7.268   2.020
  366    QR   TYR  35           QR       TYR  35   7.641  -5.405  -0.075
  367    H    VAL  36           HN       VAL  36   4.293  -6.442  -1.698
  368    HA   VAL  36           HA       VAL  36   4.684  -9.257  -2.591
  369    HB   VAL  36           HB       VAL  36   2.518  -7.253  -3.185
  370   1HG1  VAL  36          1HG1      VAL  36   3.660  -7.489  -5.413
  371   2HG1  VAL  36          2HG1      VAL  36   3.511  -9.241  -5.286
  372   3HG1  VAL  36          3HG1      VAL  36   2.070  -8.237  -5.401
  373   1HG2  VAL  36          3HG2      VAL  36   2.139  -9.301  -1.851
  374   2HG2  VAL  36          1HG2      VAL  36   1.196  -9.336  -3.338
  375   3HG2  VAL  36          2HG2      VAL  36   2.668 -10.294  -3.209
  376    QG1  VAL  36           QG1      VAL  36   3.081  -8.322  -5.366
  377    QG2  VAL  36           QG2      VAL  36   2.001  -9.643  -2.799
  378    QQG  VAL  36           QQG      VAL  36   2.541  -8.983  -4.083
  379    H    ASP  37           HN       ASP  37   6.219  -9.452  -4.178
  380    HA   ASP  37           HA       ASP  37   7.598  -6.962  -5.129
  381   1HB   ASP  37          2HB       ASP  37   8.937  -8.477  -3.674
  382   2HB   ASP  37          3HB       ASP  37   8.715  -9.764  -4.835
  383    QB   ASP  37           QB       ASP  37   8.826  -9.120  -4.254
  384    H    ILE  38           HN       ILE  38   6.999  -6.506  -7.087
  385    HA   ILE  38           HA       ILE  38   5.664  -8.025  -8.981
  386    HB   ILE  38           HB       ILE  38   6.615  -6.354 -10.662
  387   1HG1  ILE  38          2HG1      ILE  38   7.778  -5.071  -8.172
  388   2HG1  ILE  38          3HG1      ILE  38   8.734  -6.112  -9.216
  389   1HG2  ILE  38          2HG2      ILE  38   5.391  -5.353  -8.059
  390   2HG2  ILE  38          3HG2      ILE  38   5.383  -4.463  -9.580
  391   3HG2  ILE  38          1HG2      ILE  38   4.499  -5.975  -9.441
  392   1HD1  ILE  38          1HD1      ILE  38   7.249  -3.615 -10.109
  393   2HD1  ILE  38          2HD1      ILE  38   8.986  -3.711  -9.838
  394   3HD1  ILE  38          3HD1      ILE  38   8.244  -4.628 -11.148
  395    QG1  ILE  38           QG1      ILE  38   8.256  -5.591  -8.694
  396    QG2  ILE  38           QG2      ILE  38   5.091  -5.263  -9.026
  397    QD1  ILE  38           QD1      ILE  38   8.160  -3.984 -10.365
  398    NH1  ARG  39           NH2      ARG  39   8.140  -9.079 -13.068
  399    NH2  ARG  39           NH1      ARG  39   9.449  -8.452 -14.812
  400    H    ARG  39           HN       ARG  39   9.120  -8.039  -8.423
  401    HA   ARG  39           HA       ARG  39   9.494  -9.669 -10.894
  402   1HB   ARG  39          2HB       ARG  39  11.520  -8.272  -9.121
  403   2HB   ARG  39          3HB       ARG  39  11.936  -9.238 -10.526
  404   1HG   ARG  39          2HG       ARG  39   9.940  -7.013 -10.855
  405   2HG   ARG  39          3HG       ARG  39  11.641  -6.596 -10.723
  406   1HD   ARG  39          2HD       ARG  39  10.852  -6.910 -13.091
  407   2HD   ARG  39          3HD       ARG  39  12.208  -7.942 -12.646
  408    HE   ARG  39           HE       ARG  39  10.657  -9.850 -12.537
  409   1HH1  ARG  39          2HH2      ARG  39   8.054  -9.333 -12.104
  410   2HH1  ARG  39          1HH2      ARG  39   7.315  -9.017 -13.635
  411   1HH2  ARG  39          2HH1      ARG  39  10.364  -8.267 -15.171
  412   2HH2  ARG  39          1HH1      ARG  39   8.649  -8.353 -15.409
  413    QB   ARG  39           QB       ARG  39  11.728  -8.755  -9.823
  414    QG   ARG  39           QG       ARG  39  10.791  -6.804 -10.789
  415    QD   ARG  39           QD       ARG  39  11.530  -7.426 -12.868
  416    QH1  ARG  39           QH2      ARG  39   7.685  -9.175 -12.869
  417    QH2  ARG  39           QH1      ARG  39   9.507  -8.310 -15.290
  418    H    ALA  40           HN       ALA  40   8.486 -10.463  -8.113
  419    HA   ALA  40           HA       ALA  40  10.359 -12.788  -7.789
  420   1HB   ALA  40          3HB       ALA  40  10.315 -11.186  -5.829
  421   2HB   ALA  40          1HB       ALA  40   8.592 -11.519  -5.667
  422   3HB   ALA  40          2HB       ALA  40   9.764 -12.808  -5.421
  423    QB   ALA  40           QB       ALA  40   9.557 -11.837  -5.639
  424    H    GLU  41           HN       GLU  41   7.127 -11.536  -7.481
  425    HA   GLU  41           HA       GLU  41   5.811 -14.106  -7.286
  426   1HB   GLU  41          2HB       GLU  41   5.094 -11.632  -6.593
  427   2HB   GLU  41          3HB       GLU  41   4.408 -11.610  -8.212
  428   1HG   GLU  41          2HG       GLU  41   3.077 -13.612  -7.707
  429   2HG   GLU  41          3HG       GLU  41   3.822 -13.727  -6.114
  430    QB   GLU  41           QB       GLU  41   4.751 -11.621  -7.402
  431    QG   GLU  41           QG       GLU  41   3.450 -13.669  -6.910
  432    H    GLY  42           HN       GLY  42   6.222 -11.746  -9.920
  433   1HA   GLY  42          1HA       GLY  42   6.712 -12.726 -12.181
  434   2HA   GLY  42          2HA       GLY  42   5.491 -13.935 -11.834
  435    QA   GLY  42           QA       GLY  42   6.102 -13.330 -12.007
  436    H    ILE  43           HN       ILE  43   5.703 -10.361 -11.948
  437    HA   ILE  43           HA       ILE  43   3.026 -10.383 -13.284
  438    HB   ILE  43           HB       ILE  43   4.454  -8.209 -11.696
  439   1HG1  ILE  43          2HG1      ILE  43   2.074 -10.005 -11.080
  440   2HG1  ILE  43          3HG1      ILE  43   3.659 -10.108 -10.329
  441   1HG2  ILE  43          3HG2      ILE  43   2.950  -7.316 -13.498
  442   2HG2  ILE  43          1HG2      ILE  43   1.630  -8.264 -12.821
  443   3HG2  ILE  43          2HG2      ILE  43   2.348  -6.960 -11.888
  444   1HD1  ILE  43          1HD1      ILE  43   3.354  -7.816  -9.415
  445   2HD1  ILE  43          2HD1      ILE  43   1.738  -7.765 -10.116
  446   3HD1  ILE  43          3HD1      ILE  43   2.114  -8.927  -8.849
  447    QG1  ILE  43           QG1      ILE  43   2.867 -10.056 -10.704
  448    QG2  ILE  43           QG2      ILE  43   2.310  -7.513 -12.735
  449    QD1  ILE  43           QD1      ILE  43   2.402  -8.169  -9.460
  450    H    THR  44           HN       THR  44   2.765  -9.265 -15.220
  451    HA   THR  44           HA       THR  44   5.296  -8.260 -16.476
  452    HB   THR  44           HB       THR  44   4.345  -9.040 -18.653
  453    HG1  THR  44          1HG       THR  44   2.250 -10.011 -16.946
  454   1HG2  THR  44          2HG2      THR  44   5.595 -10.678 -17.159
  455   2HG2  THR  44          3HG2      THR  44   4.052 -11.148 -16.458
  456   3HG2  THR  44          1HG2      THR  44   4.374 -11.451 -18.164
  457    QG2  THR  44           QG2      THR  44   4.674 -11.092 -17.260
  458    H    LYS  45           HN       LYS  45   2.262  -7.857 -18.041
  459    HA   LYS  45           HA       LYS  45   2.008  -5.006 -17.147
  460   1HB   LYS  45          2HB       LYS  45   1.640  -5.713 -20.068
  461   2HB   LYS  45          3HB       LYS  45   1.882  -4.136 -19.358
  462   1HG   LYS  45          2HG       LYS  45   4.009  -4.441 -20.184
  463   2HG   LYS  45          3HG       LYS  45   4.221  -5.223 -18.627
  464   1HD   LYS  45          2HD       LYS  45   5.024  -6.911 -19.990
  465   2HD   LYS  45          3HD       LYS  45   3.326  -7.362 -19.973
  466   1HE   LYS  45          2HE       LYS  45   4.498  -5.519 -22.079
  467   2HE   LYS  45          3HE       LYS  45   4.460  -7.263 -22.269
  468   1HZ   LYS  45          1HZ       LYS  45   1.884  -6.527 -21.536
  469   2HZ   LYS  45          2HZ       LYS  45   2.379  -5.405 -22.714
  470   3HZ   LYS  45          3HZ       LYS  45   2.422  -7.069 -23.034
  471    QB   LYS  45           QB       LYS  45   1.761  -4.924 -19.713
  472    QG   LYS  45           QG       LYS  45   4.115  -4.832 -19.405
  473    QD   LYS  45           QD       LYS  45   4.175  -7.136 -19.981
  474    QE   LYS  45           QE       LYS  45   4.479  -6.391 -22.174
  475    QZ   LYS  45           QZ       LYS  45   2.229  -6.333 -22.428
  476    H    GLU  46           HN       GLU  46   0.772  -7.586 -19.168
  477    HA   GLU  46           HA       GLU  46  -1.945  -6.925 -19.276
  478   1HB   GLU  46          2HB       GLU  46  -0.524  -9.608 -19.195
  479   2HB   GLU  46          3HB       GLU  46  -2.256  -9.479 -19.457
  480   1HG   GLU  46          2HG       GLU  46  -0.896  -9.617 -21.599
  481   2HG   GLU  46          3HG       GLU  46  -1.927  -8.196 -21.500
  482    QB   GLU  46           QB       GLU  46  -1.390  -9.543 -19.326
  483    QG   GLU  46           QG       GLU  46  -1.411  -8.906 -21.549
  484    H    ASP  47           HN       ASP  47  -0.276  -8.937 -16.840
  485    HA   ASP  47           HA       ASP  47  -2.338  -9.554 -15.080
  486   1HB   ASP  47          2HB       ASP  47   0.400  -8.490 -14.303
  487   2HB   ASP  47          3HB       ASP  47  -0.658  -9.413 -13.251
  488    QB   ASP  47           QB       ASP  47  -0.129  -8.951 -13.777
  489    H    LEU  48           HN       LEU  48  -0.237  -6.751 -14.737
  490    HA   LEU  48           HA       LEU  48  -1.686  -5.382 -12.751
  491   1HB   LEU  48          2HB       LEU  48   0.013  -4.341 -15.053
  492   2HB   LEU  48          3HB       LEU  48  -0.609  -3.291 -13.790
  493    HG   LEU  48           HG       LEU  48   1.077  -5.750 -13.222
  494   1HD1  LEU  48          1HD1      LEU  48   2.331  -4.059 -14.565
  495   2HD1  LEU  48          2HD1      LEU  48   1.928  -2.839 -13.362
  496   3HD1  LEU  48          3HD1      LEU  48   2.958  -4.197 -12.929
  497   1HD2  LEU  48          1HD2      LEU  48   0.327  -3.329 -11.528
  498   2HD2  LEU  48          2HD2      LEU  48  -0.303  -4.958 -11.320
  499   3HD2  LEU  48          3HD2      LEU  48   1.397  -4.634 -11.018
  500    QB   LEU  48           QB       LEU  48  -0.298  -3.816 -14.421
  501    QD1  LEU  48           QD1      LEU  48   2.406  -3.698 -13.618
  502    QD2  LEU  48           QD2      LEU  48   0.474  -4.307 -11.288
  503    QQD  LEU  48           QQD      LEU  48   1.440  -4.002 -12.453
  504    H    GLN  49           HN       GLN  49  -1.998  -4.999 -16.312
  505    HA   GLN  49           HA       GLN  49  -4.091  -3.073 -16.163
  506   1HB   GLN  49          2HB       GLN  49  -3.460  -5.176 -18.252
  507   2HB   GLN  49          3HB       GLN  49  -4.801  -4.048 -18.441
  508   1HG   GLN  49          2HG       GLN  49  -3.203  -2.135 -18.124
  509   2HG   GLN  49          3HG       GLN  49  -1.869  -3.287 -18.069
  510   1HE2  GLN  49          2HE2      GLN  49  -2.617  -4.178 -21.623
  511   2HE2  GLN  49          1HE2      GLN  49  -2.603  -5.051 -20.174
  512    QB   GLN  49           QB       GLN  49  -4.130  -4.612 -18.346
  513    QG   GLN  49           QG       GLN  49  -2.536  -2.711 -18.096
  514    QE2  GLN  49           QE2      GLN  49  -2.610  -4.614 -20.898
  515    H    GLN  50           HN       GLN  50  -4.229  -6.569 -15.976
  516    HA   GLN  50           HA       GLN  50  -7.128  -6.725 -15.963
  517   1HB   GLN  50          2HB       GLN  50  -5.531  -8.579 -16.596
  518   2HB   GLN  50          3HB       GLN  50  -5.087  -8.713 -14.907
  519   1HG   GLN  50          2HG       GLN  50  -7.631  -9.040 -14.462
  520   2HG   GLN  50          3HG       GLN  50  -7.745  -9.352 -16.193
  521   1HE2  GLN  50          2HE2      GLN  50  -6.050 -12.106 -13.743
  522   2HE2  GLN  50          1HE2      GLN  50  -6.593 -10.611 -13.147
  523    QB   GLN  50           QB       GLN  50  -5.309  -8.646 -15.751
  524    QG   GLN  50           QG       GLN  50  -7.688  -9.196 -15.327
  525    QE2  GLN  50           QE2      GLN  50  -6.321 -11.358 -13.445
  526    H    LYS  51           HN       LYS  51  -4.679  -6.710 -13.459
  527    HA   LYS  51           HA       LYS  51  -6.641  -7.059 -11.299
  528   1HB   LYS  51          2HB       LYS  51  -3.861  -7.486 -11.630
  529   2HB   LYS  51          3HB       LYS  51  -3.987  -6.242 -10.406
  530   1HG   LYS  51          2HG       LYS  51  -5.960  -8.069  -9.647
  531   2HG   LYS  51          3HG       LYS  51  -4.696  -9.099 -10.283
  532   1HD   LYS  51          2HD       LYS  51  -4.225  -8.817  -7.938
  533   2HD   LYS  51          3HD       LYS  51  -3.039  -7.879  -8.826
  534   1HE   LYS  51          2HE       LYS  51  -4.085  -6.703  -6.808
  535   2HE   LYS  51          3HE       LYS  51  -4.112  -5.827  -8.323
  536   1HZ   LYS  51          2HZ       LYS  51  -6.438  -7.396  -8.116
  537   2HZ   LYS  51          3HZ       LYS  51  -6.279  -6.479  -6.693
  538   3HZ   LYS  51          1HZ       LYS  51  -6.302  -5.712  -8.239
  539    QB   LYS  51           QB       LYS  51  -3.924  -6.864 -11.018
  540    QG   LYS  51           QG       LYS  51  -5.328  -8.584  -9.965
  541    QD   LYS  51           QD       LYS  51  -3.632  -8.348  -8.382
  542    QE   LYS  51           QE       LYS  51  -4.098  -6.265  -7.565
  543    QZ   LYS  51           QZ       LYS  51  -6.339  -6.529  -7.682
  544    H    ALA  52           HN       ALA  52  -4.891  -4.416 -12.647
  545    HA   ALA  52           HA       ALA  52  -5.948  -2.547 -10.568
  546   1HB   ALA  52          1HB       ALA  52  -3.458  -2.734 -10.616
  547   2HB   ALA  52          2HB       ALA  52  -3.475  -2.320 -12.319
  548   3HB   ALA  52          3HB       ALA  52  -3.976  -1.142 -11.126
  549    QB   ALA  52           QB       ALA  52  -3.636  -2.065 -11.353
  550    H    GLY  53           HN       GLY  53  -5.357  -3.021 -13.961
  551   1HA   GLY  53          1HA       GLY  53  -7.041  -2.156 -15.595
  552   2HA   GLY  53          2HA       GLY  53  -7.168  -0.705 -14.587
  553    QA   GLY  53           QA       GLY  53  -7.104  -1.430 -15.091
  554    H    LYS  54           HN       LYS  54  -4.591  -0.340 -13.926
  555    HA   LYS  54           HA       LYS  54  -2.731   0.855 -14.546
  556   1HB   LYS  54          2HB       LYS  54  -2.503  -1.666 -15.584
  557   2HB   LYS  54          3HB       LYS  54  -2.262  -0.678 -17.020
  558   1HG   LYS  54          2HG       LYS  54  -0.547   0.635 -15.842
  559   2HG   LYS  54          3HG       LYS  54  -0.819  -0.288 -14.379
  560   1HD   LYS  54          2HD       LYS  54   0.210  -2.207 -15.227
  561   2HD   LYS  54          3HD       LYS  54  -0.092  -1.766 -16.899
  562   1HE   LYS  54          2HE       LYS  54   2.329  -1.534 -16.069
  563   2HE   LYS  54          3HE       LYS  54   1.648  -0.139 -16.891
  564   1HZ   LYS  54          3HZ       LYS  54   1.107  -0.014 -14.086
  565   2HZ   LYS  54          1HZ       LYS  54   2.778  -0.165 -14.362
  566   3HZ   LYS  54          2HZ       LYS  54   1.912   1.082 -15.116
  567    QB   LYS  54           QB       LYS  54  -2.382  -1.172 -16.302
  568    QG   LYS  54           QG       LYS  54  -0.683   0.174 -15.110
  569    QD   LYS  54           QD       LYS  54   0.059  -1.986 -16.063
  570    QE   LYS  54           QE       LYS  54   1.989  -0.836 -16.480
  571    QZ   LYS  54           QZ       LYS  54   1.933   0.301 -14.521
  572    HA   PRO  55           HA       PRO  55  -3.592   3.998 -17.641
  573   1HB   PRO  55          2HB       PRO  55  -1.861   5.071 -15.438
  574   2HB   PRO  55          3HB       PRO  55  -3.134   5.888 -16.355
  575   1HG   PRO  55          2HG       PRO  55  -3.540   5.040 -13.794
  576   2HG   PRO  55          3HG       PRO  55  -4.845   5.031 -14.986
  577   1HD   PRO  55          2HD       PRO  55  -3.268   2.734 -13.895
  578   2HD   PRO  55          3HD       PRO  55  -4.935   2.756 -14.505
  579    QB   PRO  55           QB       PRO  55  -2.497   5.480 -15.896
  580    QG   PRO  55           QG       PRO  55  -4.192   5.036 -14.390
  581    QD   PRO  55           QD       PRO  55  -4.101   2.745 -14.200
  582    H    VAL  56           HN       VAL  56  -1.333   5.171 -18.307
  583    HA   VAL  56           HA       VAL  56   0.426   2.888 -18.919
  584    HB   VAL  56           HB       VAL  56   0.825   5.669 -19.928
  585   1HG1  VAL  56          3HG1      VAL  56   1.342   2.904 -21.070
  586   2HG1  VAL  56          1HG1      VAL  56   1.683   4.414 -21.913
  587   3HG1  VAL  56          2HG1      VAL  56   2.562   4.006 -20.443
  588   1HG2  VAL  56          3HG2      VAL  56  -1.107   3.585 -21.011
  589   2HG2  VAL  56          1HG2      VAL  56  -1.564   5.124 -20.295
  590   3HG2  VAL  56          2HG2      VAL  56  -0.695   5.090 -21.821
  591    QG1  VAL  56           QG1      VAL  56   1.863   3.775 -21.142
  592    QG2  VAL  56           QG2      VAL  56  -1.122   4.600 -21.042
  593    QQG  VAL  56           QQG      VAL  56   0.371   4.188 -21.092
  594    H    GLU  57           HN       GLU  57   0.703   3.102 -16.462
  595    HA   GLU  57           HA       GLU  57   3.046   4.824 -15.769
  596   1HB   GLU  57          2HB       GLU  57   2.434   4.307 -13.419
  597   2HB   GLU  57          3HB       GLU  57   1.012   4.887 -14.276
  598   1HG   GLU  57          2HG       GLU  57   0.401   2.447 -14.721
  599   2HG   GLU  57          3HG       GLU  57   1.705   2.009 -13.616
  600    QB   GLU  57           QB       GLU  57   1.723   4.597 -13.847
  601    QG   GLU  57           QG       GLU  57   1.053   2.228 -14.168
  602    H    THR  58           HN       THR  58   4.507   3.428 -14.054
  603    HA   THR  58           HA       THR  58   4.937   0.783 -15.407
  604    HB   THR  58           HB       THR  58   7.125   2.511 -14.147
  605    HG1  THR  58          1HG       THR  58   5.651   2.715 -16.381
  606   1HG2  THR  58          2HG2      THR  58   7.583  -0.002 -14.506
  607   2HG2  THR  58          3HG2      THR  58   7.182   0.235 -16.202
  608   3HG2  THR  58          1HG2      THR  58   8.584   1.044 -15.507
  609    QG2  THR  58           QG2      THR  58   7.783   0.426 -15.405
  610    H    VAL  59           HN       VAL  59   6.929   1.426 -12.683
  611    HA   VAL  59           HA       VAL  59   5.038   0.004 -10.903
  612    HB   VAL  59           HB       VAL  59   6.940  -1.382 -10.113
  613   1HG1  VAL  59          1HG1      VAL  59   6.349  -1.545 -13.084
  614   2HG1  VAL  59          2HG1      VAL  59   6.997  -2.859 -12.113
  615   3HG1  VAL  59          3HG1      VAL  59   5.372  -2.251 -11.802
  616   1HG2  VAL  59          3HG2      VAL  59   8.397  -0.129 -12.456
  617   2HG2  VAL  59          1HG2      VAL  59   8.782   0.112 -10.755
  618   3HG2  VAL  59          2HG2      VAL  59   8.998  -1.472 -11.493
  619    QG1  VAL  59           QG1      VAL  59   6.240  -2.218 -12.333
  620    QG2  VAL  59           QG2      VAL  59   8.726  -0.496 -11.568
  621    QQG  VAL  59           QQG      VAL  59   7.483  -1.357 -11.950
  622    HA   PRO  60           HA       PRO  60   5.189  -0.831  -9.018
  623   1HB   PRO  60          2HB       PRO  60   4.793  -0.644  -6.371
  624   2HB   PRO  60          3HB       PRO  60   6.419  -0.939  -7.002
  625   1HG   PRO  60          2HG       PRO  60   5.238   1.642  -5.984
  626   2HG   PRO  60          3HG       PRO  60   6.854   0.992  -5.748
  627   1HD   PRO  60          2HD       PRO  60   6.125   2.881  -7.715
  628   2HD   PRO  60          3HD       PRO  60   7.644   1.952  -7.689
  629    QB   PRO  60           QB       PRO  60   5.606  -0.791  -6.686
  630    QG   PRO  60           QG       PRO  60   6.046   1.317  -5.866
  631    QD   PRO  60           QD       PRO  60   6.885   2.417  -7.702
  632    H    GLN  61           HN       GLN  61   3.094  -0.976  -7.292
  633    HA   GLN  61           HA       GLN  61   1.359   1.398  -7.598
  634   1HB   GLN  61          2HB       GLN  61   0.536  -1.311  -8.732
  635   2HB   GLN  61          3HB       GLN  61  -0.466   0.130  -8.671
  636   1HG   GLN  61          2HG       GLN  61   1.413   1.293 -10.040
  637   2HG   GLN  61          3HG       GLN  61   2.042  -0.326 -10.329
  638   1HE2  GLN  61          2HE2      GLN  61  -1.761   0.170 -11.746
  639   2HE2  GLN  61          1HE2      GLN  61  -1.416   0.525 -10.120
  640    QB   GLN  61           QB       GLN  61   0.035  -0.590  -8.701
  641    QG   GLN  61           QG       GLN  61   1.728   0.484 -10.184
  642    QE2  GLN  61           QE2      GLN  61  -1.588   0.348 -10.933
  643    H    ILE  62           HN       ILE  62  -0.734   1.067  -6.372
  644    HA   ILE  62           HA       ILE  62  -0.262  -0.844  -4.107
  645    HB   ILE  62           HB       ILE  62  -1.340   1.991  -3.977
  646   1HG1  ILE  62          2HG1      ILE  62   0.423   2.036  -2.062
  647   2HG1  ILE  62          3HG1      ILE  62   1.043   0.558  -2.787
  648   1HG2  ILE  62          2HG2      ILE  62  -1.421  -0.172  -1.841
  649   2HG2  ILE  62          3HG2      ILE  62  -1.722   1.531  -1.535
  650   3HG2  ILE  62          1HG2      ILE  62  -2.807   0.624  -2.579
  651   1HD1  ILE  62          1HD1      ILE  62   0.664   3.168  -4.278
  652   2HD1  ILE  62          2HD1      ILE  62   2.198   2.602  -3.634
  653   3HD1  ILE  62          3HD1      ILE  62   1.406   1.707  -4.910
  654    QG1  ILE  62           QG1      ILE  62   0.733   1.297  -2.424
  655    QG2  ILE  62           QG2      ILE  62  -1.983   0.661  -1.985
  656    QD1  ILE  62           QD1      ILE  62   1.423   2.493  -4.274
  657    H    PHE  63           HN       PHE  63  -1.932  -1.743  -3.119
  658    HA   PHE  63           HA       PHE  63  -4.632  -1.532  -4.376
  659   1HB   PHE  63          2HB       PHE  63  -2.848  -3.901  -3.961
  660   2HB   PHE  63          3HB       PHE  63  -4.575  -4.132  -3.701
  661    HD1  PHE  63           HD1      PHE  63  -6.174  -3.567  -5.502
  662    HD2  PHE  63           HD2      PHE  63  -1.977  -3.562  -6.198
  663    HE1  PHE  63           HE1      PHE  63  -6.581  -3.549  -7.915
  664    HE2  PHE  63           HE2      PHE  63  -2.380  -3.589  -8.616
  665    HZ   PHE  63           HZ       PHE  63  -4.680  -3.614  -9.458
  666    QB   PHE  63           QB       PHE  63  -3.711  -4.016  -3.831
  667    QR   PHE  63           QR       PHE  63  -4.278  -3.566  -7.057
  668    H    VAL  64           HN       VAL  64  -6.178  -1.238  -2.855
  669    HA   VAL  64           HA       VAL  64  -5.509  -2.075  -0.039
  670    HB   VAL  64           HB       VAL  64  -7.206   0.292  -0.949
  671   1HG1  VAL  64          3HG1      VAL  64  -8.009  -0.750   1.169
  672   2HG1  VAL  64          1HG1      VAL  64  -6.382  -0.615   1.829
  673   3HG1  VAL  64          2HG1      VAL  64  -7.302   0.837   1.446
  674   1HG2  VAL  64          1HG2      VAL  64  -4.714   0.580  -1.181
  675   2HG2  VAL  64          2HG2      VAL  64  -5.414   1.653   0.027
  676   3HG2  VAL  64          3HG2      VAL  64  -4.545   0.204   0.526
  677    QG1  VAL  64           QG1      VAL  64  -7.231  -0.176   1.482
  678    QG2  VAL  64           QG2      VAL  64  -4.891   0.813  -0.209
  679    QQG  VAL  64           QQG      VAL  64  -6.061   0.319   0.636
  680    H    ASP  65           HN       ASP  65  -6.948  -3.482   0.856
  681    HA   ASP  65           HA       ASP  65  -8.686  -5.058   0.871
  682   1HB   ASP  65          2HB       ASP  65  -9.910  -2.428   0.188
  683   2HB   ASP  65          3HB       ASP  65 -10.897  -3.868   0.247
  684    QB   ASP  65           QB       ASP  65 -10.403  -3.148   0.218
  685    H    GLN  66           HN       GLN  66  -7.298  -4.608  -1.558
  686    HA   GLN  66           HA       GLN  66  -7.035  -5.808  -3.547
  687   1HB   GLN  66          2HB       GLN  66  -9.559  -6.933  -2.534
  688   2HB   GLN  66          3HB       GLN  66  -9.411  -6.968  -4.285
  689   1HG   GLN  66          2HG       GLN  66  -7.042  -7.775  -2.607
  690   2HG   GLN  66          3HG       GLN  66  -8.368  -8.905  -2.810
  691   1HE2  GLN  66          2HE2      GLN  66  -7.252  -9.840  -5.992
  692   2HE2  GLN  66          1HE2      GLN  66  -8.075 -10.243  -4.566
  693    QB   GLN  66           QB       GLN  66  -9.485  -6.950  -3.409
  694    QG   GLN  66           QG       GLN  66  -7.705  -8.340  -2.708
  695    QE2  GLN  66           QE2      GLN  66  -7.663 -10.041  -5.279
  696    H    GLN  67           HN       GLN  67  -9.110  -3.220  -3.140
  697    HA   GLN  67           HA       GLN  67  -9.943  -3.105  -5.955
  698   1HB   GLN  67          2HB       GLN  67 -11.196  -1.223  -5.288
  699   2HB   GLN  67          3HB       GLN  67 -11.215  -2.196  -3.845
  700   1HG   GLN  67          2HG       GLN  67  -9.141  -0.821  -3.119
  701   2HG   GLN  67          3HG       GLN  67  -9.585   0.292  -4.404
  702   1HE2  GLN  67          2HE2      GLN  67 -11.552   0.443  -0.921
  703   2HE2  GLN  67          1HE2      GLN  67 -10.116  -0.441  -1.152
  704    QB   GLN  67           QB       GLN  67 -11.205  -1.709  -4.566
  705    QG   GLN  67           QG       GLN  67  -9.363  -0.264  -3.761
  706    QE2  GLN  67           QE2      GLN  67 -10.834   0.001  -1.036
  707    H    HIS  68           HN       HIS  68  -9.062  -1.351  -7.378
  708    HA   HIS  68           HA       HIS  68  -6.181  -1.066  -6.833
  709   1HB   HIS  68          2HB       HIS  68  -7.078  -1.578  -9.120
  710   2HB   HIS  68          3HB       HIS  68  -7.787   0.014  -9.157
  711    HD1  HIS  68           HD1      HIS  68  -6.256   0.607 -11.133
  712    HD2  HIS  68           HD2      HIS  68  -4.088  -0.308  -7.752
  713    HE1  HIS  68           HE1      HIS  68  -3.984   1.677 -11.410
  714    QB   HIS  68           QB       HIS  68  -7.432  -0.782  -9.138
  715    H    ILE  69           HN       ILE  69  -5.103   0.859  -6.558
  716    HA   ILE  69           HA       ILE  69  -6.819   3.182  -5.813
  717    HB   ILE  69           HB       ILE  69  -4.046   2.578  -4.740
  718   1HG1  ILE  69          2HG1      ILE  69  -5.496   0.624  -4.228
  719   2HG1  ILE  69          3HG1      ILE  69  -5.113   1.540  -2.787
  720   1HG2  ILE  69          3HG2      ILE  69  -6.386   4.218  -3.715
  721   2HG2  ILE  69          1HG2      ILE  69  -4.875   3.970  -2.850
  722   3HG2  ILE  69          2HG2      ILE  69  -4.882   4.845  -4.377
  723   1HD1  ILE  69          3HD1      ILE  69  -7.705   1.834  -4.339
  724   2HD1  ILE  69          1HD1      ILE  69  -7.519   0.890  -2.872
  725   3HD1  ILE  69          2HD1      ILE  69  -7.304   2.632  -2.822
  726    QG1  ILE  69           QG1      ILE  69  -5.304   1.082  -3.507
  727    QG2  ILE  69           QG2      ILE  69  -5.381   4.345  -3.647
  728    QD1  ILE  69           QD1      ILE  69  -7.509   1.786  -3.344
  729    H    GLY  70           HN       GLY  70  -3.839   2.115  -7.359
  730   1HA   GLY  70          1HA       GLY  70  -3.633   3.564  -9.572
  731   2HA   GLY  70          2HA       GLY  70  -3.378   4.856  -8.403
  732    QA   GLY  70           QA       GLY  70  -3.505   4.210  -8.987
  733    H    GLY  71           HN       GLY  71  -1.265   5.315  -8.688
  734   1HA   GLY  71          1HA       GLY  71   0.706   3.079  -8.767
  735   2HA   GLY  71          2HA       GLY  71   1.028   4.728  -9.271
  736    QA   GLY  71           QA       GLY  71   0.867   3.904  -9.019
  737    OH   TYR  72           OH       TYR  72   4.482   7.996  -0.232
  738    H    TYR  72           HN       TYR  72   0.613   6.367  -7.305
  739    HA   TYR  72           HA       TYR  72   1.270   5.214  -4.714
  740   1HB   TYR  72          2HB       TYR  72   3.528   5.077  -5.589
  741   2HB   TYR  72          3HB       TYR  72   3.462   6.743  -6.166
  742    HD1  TYR  72           HD2      TYR  72   3.087   4.732  -3.017
  743    HD2  TYR  72           HD1      TYR  72   4.190   8.472  -4.721
  744    HE1  TYR  72           HE2      TYR  72   3.634   5.594  -0.789
  745    HE2  TYR  72           HE1      TYR  72   4.744   9.320  -2.496
  746    HH   TYR  72           HH       TYR  72   3.979   8.812  -0.116
  747    QB   TYR  72           QB       TYR  72   3.495   5.910  -5.877
  748    QR   TYR  72           QR       TYR  72   3.914   7.030  -2.756
  749    H    THR  73           HN       THR  73   1.599   8.229  -6.544
  750    HA   THR  73           HA       THR  73   1.198  10.098  -4.482
  751    HB   THR  73           HB       THR  73   0.024  11.437  -6.439
  752    HG1  THR  73          1HG       THR  73  -0.736   9.963  -7.803
  753   1HG2  THR  73          2HG2      THR  73   2.585  11.403  -6.144
  754   2HG2  THR  73          3HG2      THR  73   2.615   9.990  -7.197
  755   3HG2  THR  73          1HG2      THR  73   2.067  11.542  -7.822
  756    QG2  THR  73           QG2      THR  73   2.423  10.979  -7.054
  757    H    ASP  74           HN       ASP  74  -1.111   8.374  -6.428
  758    HA   ASP  74           HA       ASP  74  -3.542   9.220  -5.293
  759   1HB   ASP  74          2HB       ASP  74  -4.253   6.761  -5.896
  760   2HB   ASP  74          3HB       ASP  74  -3.726   7.825  -7.198
  761    QB   ASP  74           QB       ASP  74  -3.989   7.293  -6.547
  762    H    PHE  75           HN       PHE  75  -1.745   6.243  -4.384
  763    HA   PHE  75           HA       PHE  75  -3.292   5.606  -2.125
  764   1HB   PHE  75          2HB       PHE  75  -1.453   4.157  -3.047
  765   2HB   PHE  75          3HB       PHE  75  -0.275   5.246  -2.333
  766    HD1  PHE  75           HD2      PHE  75  -3.452   3.571  -1.179
  767    HD2  PHE  75           HD1      PHE  75   0.630   4.431  -0.318
  768    HE1  PHE  75           HE2      PHE  75  -3.634   2.345   0.945
  769    HE2  PHE  75           HE1      PHE  75   0.433   3.235   1.817
  770    HZ   PHE  75           HZ       PHE  75  -1.695   2.169   2.440
  771    QB   PHE  75           QB       PHE  75  -0.864   4.702  -2.690
  772    QR   PHE  75           QR       PHE  75  -1.505   3.396   0.316
  773    H    ALA  76           HN       ALA  76  -0.427   7.700  -2.275
  774    HA   ALA  76           HA       ALA  76  -0.291   8.420   0.445
  775   1HB   ALA  76          2HB       ALA  76   1.363   9.136  -1.267
  776   2HB   ALA  76          3HB       ALA  76   0.166  10.205  -1.983
  777   3HB   ALA  76          1HB       ALA  76   0.776  10.529  -0.364
  778    QB   ALA  76           QB       ALA  76   0.769   9.957  -1.204
  779    H    ALA  77           HN       ALA  77  -1.992  10.210  -2.092
  780    HA   ALA  77           HA       ALA  77  -3.368  11.981  -0.310
  781   1HB   ALA  77          3HB       ALA  77  -4.187  11.030  -3.087
  782   2HB   ALA  77          1HB       ALA  77  -4.900  12.399  -2.236
  783   3HB   ALA  77          2HB       ALA  77  -3.210  12.448  -2.726
  784    QB   ALA  77           QB       ALA  77  -4.099  11.959  -2.683
  785    CH2  TRP  78           CH2      TRP  78  -7.830   3.367   1.533
  786    H    TRP  78           HN       TRP  78  -4.705   9.258  -2.122
  787    HA   TRP  78           HA       TRP  78  -7.210   9.004  -1.007
  788   1HB   TRP  78          2HB       TRP  78  -6.333   7.499  -2.757
  789   2HB   TRP  78          3HB       TRP  78  -5.276   6.751  -1.600
  790    HD1  TRP  78           HD1      TRP  78  -8.971   6.771  -2.685
  791    HE1  TRP  78           HE1      TRP  78 -10.245   5.021  -1.423
  792    HE3  TRP  78           HE3      TRP  78  -5.338   5.366   0.387
  793    HZ2  TRP  78           HZ2      TRP  78  -9.793   3.223   0.708
  794    HZ3  TRP  78           HZ3      TRP  78  -5.803   3.676   2.133
  795    HH2  TRP  78           HH2      TRP  78  -8.022   2.632   2.302
  796    QB   TRP  78           QB       TRP  78  -5.804   7.125  -2.178
  797    H    VAL  79           HN       VAL  79  -4.199   7.670   0.354
  798    HA   VAL  79           HA       VAL  79  -5.413   6.528   2.686
  799    HB   VAL  79           HB       VAL  79  -2.613   7.516   2.060
  800   1HG1  VAL  79          2HG1      VAL  79  -3.576   6.353   4.700
  801   2HG1  VAL  79          3HG1      VAL  79  -1.889   6.610   4.265
  802   3HG1  VAL  79          1HG1      VAL  79  -2.965   7.985   4.467
  803   1HG2  VAL  79          2HG2      VAL  79  -3.803   4.800   2.707
  804   2HG2  VAL  79          3HG2      VAL  79  -3.331   5.360   1.113
  805   3HG2  VAL  79          1HG2      VAL  79  -2.109   5.097   2.348
  806    QG1  VAL  79           QG1      VAL  79  -2.810   6.983   4.478
  807    QG2  VAL  79           QG2      VAL  79  -3.081   5.086   2.056
  808    QQG  VAL  79           QQG      VAL  79  -2.945   6.035   3.267
  809    H    LYS  80           HN       LYS  80  -3.605   9.536   2.278
  810    HA   LYS  80           HA       LYS  80  -3.954  10.699   4.756
  811   1HB   LYS  80          2HB       LYS  80  -2.955  11.627   2.461
  812   2HB   LYS  80          3HB       LYS  80  -4.523  12.410   2.342
  813   1HG   LYS  80          2HG       LYS  80  -2.854  12.597   4.864
  814   2HG   LYS  80          3HG       LYS  80  -2.586  13.696   3.523
  815   1HD   LYS  80          2HD       LYS  80  -4.444  14.918   3.996
  816   2HD   LYS  80          3HD       LYS  80  -5.437  13.495   4.238
  817   1HE   LYS  80          2HE       LYS  80  -3.366  14.157   6.322
  818   2HE   LYS  80          3HE       LYS  80  -4.842  15.112   6.266
  819   1HZ   LYS  80          3HZ       LYS  80  -5.794  12.609   6.072
  820   2HZ   LYS  80          1HZ       LYS  80  -4.500  12.400   7.158
  821   3HZ   LYS  80          2HZ       LYS  80  -5.734  13.522   7.481
  822    QB   LYS  80           QB       LYS  80  -3.739  12.019   2.402
  823    QG   LYS  80           QG       LYS  80  -2.720  13.147   4.194
  824    QD   LYS  80           QD       LYS  80  -4.940  14.207   4.117
  825    QE   LYS  80           QE       LYS  80  -4.104  14.635   6.294
  826    QZ   LYS  80           QZ       LYS  80  -5.342  12.844   6.904
  827    H    GLU  81           HN       GLU  81  -6.245  10.808   2.095
  828    HA   GLU  81           HA       GLU  81  -8.247  12.249   3.543
  829   1HB   GLU  81          2HB       GLU  81  -8.609  10.461   1.104
  830   2HB   GLU  81          3HB       GLU  81  -9.692  11.742   1.610
  831   1HG   GLU  81          2HG       GLU  81  -8.066  13.443   1.065
  832   2HG   GLU  81          3HG       GLU  81  -6.810  12.236   0.806
  833    QB   GLU  81           QB       GLU  81  -9.150  11.102   1.357
  834    QG   GLU  81           QG       GLU  81  -7.438  12.840   0.936
  835    H    ASN  82           HN       ASN  82  -8.273   8.817   2.585
  836    HA   ASN  82           HA       ASN  82 -10.784   8.480   4.072
  837   1HB   ASN  82          2HB       ASN  82  -9.070   6.428   2.627
  838   2HB   ASN  82          3HB       ASN  82 -10.688   6.151   3.257
  839   1HD2  ASN  82          2HD2      ASN  82 -10.235   8.481  -0.085
  840   2HD2  ASN  82          1HD2      ASN  82  -8.908   8.208   0.938
  841    QB   ASN  82           QB       ASN  82  -9.879   6.290   2.942
  842    QD2  ASN  82           QD2      ASN  82  -9.571   8.345   0.427
  843    H    LEU  83           HN       LEU  83  -7.423   7.973   4.790
  844    HA   LEU  83           HA       LEU  83  -8.299   6.271   7.089
  845   1HB   LEU  83          2HB       LEU  83  -5.526   6.583   5.909
  846   2HB   LEU  83          3HB       LEU  83  -5.966   5.511   7.228
  847    HG   LEU  83           HG       LEU  83  -6.981   5.365   4.362
  848   1HD1  LEU  83          1HD1      LEU  83  -5.261   3.500   6.028
  849   2HD1  LEU  83          2HD1      LEU  83  -5.805   3.189   4.384
  850   3HD1  LEU  83          3HD1      LEU  83  -4.695   4.514   4.708
  851   1HD2  LEU  83          2HD2      LEU  83  -7.673   3.632   6.771
  852   2HD2  LEU  83          3HD2      LEU  83  -8.781   4.703   5.914
  853   3HD2  LEU  83          1HD2      LEU  83  -8.133   3.284   5.109
  854    QB   LEU  83           QB       LEU  83  -5.746   6.047   6.569
  855    QD1  LEU  83           QD1      LEU  83  -5.253   3.735   5.040
  856    QD2  LEU  83           QD2      LEU  83  -8.195   3.873   5.932
  857    QQD  LEU  83           QQD      LEU  83  -6.724   3.804   5.486
  858    H    ASP  84           HN       ASP  84  -6.417   9.202   6.336
  859    HA   ASP  84           HA       ASP  84  -6.245   9.570   9.321
  860   1HB   ASP  84          2HB       ASP  84  -4.269  10.336   7.163
  861   2HB   ASP  84          3HB       ASP  84  -4.161  10.932   8.816
  862    QB   ASP  84           QB       ASP  84  -4.215  10.634   7.990
  863    H    ALA  85           HN       ALA  85  -8.189  10.552   7.155
  864    HA   ALA  85           HA       ALA  85  -9.392  12.494   6.659
  865   1HB   ALA  85          1HB       ALA  85  -9.886  12.317   9.071
  866   2HB   ALA  85          2HB       ALA  85  -8.424  13.227   9.447
  867   3HB   ALA  85          3HB       ALA  85  -9.752  14.008   8.600
  868    QB   ALA  85           QB       ALA  85  -9.354  13.184   9.040
   
  Start of MODEL           2
 Raw file had 868 H/Q atoms
  Start of MODEL    2
    1    H    MET   1           HN       MET   1  -8.069  -2.695   7.962
    2    HA   MET   1           HA       MET   1  -9.522  -3.396   5.698
    3   1HB   MET   1          2HB       MET   1  -8.167  -0.673   5.430
    4   2HB   MET   1          3HB       MET   1  -8.783  -1.625   4.081
    5   1HG   MET   1          2HG       MET   1 -11.018  -1.392   4.781
    6   2HG   MET   1          3HG       MET   1 -10.575  -0.899   6.396
    7   1HE   MET   1          2HE       MET   1  -9.013   1.289   6.687
    8   2HE   MET   1          3HE       MET   1  -9.964   2.732   6.344
    9   3HE   MET   1          1HE       MET   1 -10.695   1.394   7.235
   10    QB   MET   1           QB       MET   1  -8.475  -1.149   4.755
   11    QG   MET   1           QG       MET   1 -10.796  -1.145   5.589
   12    QE   MET   1           QE       MET   1  -9.891   1.805   6.755
   13    H    GLN   2           HN       GLN   2  -7.873  -3.836   3.847
   14    HA   GLN   2           HA       GLN   2  -5.175  -4.298   5.073
   15   1HB   GLN   2          2HB       GLN   2  -7.116  -6.199   3.922
   16   2HB   GLN   2          3HB       GLN   2  -5.500  -6.357   3.253
   17   1HG   GLN   2          2HG       GLN   2  -5.880  -6.111   6.236
   18   2HG   GLN   2          3HG       GLN   2  -6.061  -7.673   5.446
   19   1HE2  GLN   2          2HE2      GLN   2  -2.547  -7.974   5.884
   20   2HE2  GLN   2          1HE2      GLN   2  -4.077  -8.517   6.392
   21    QB   GLN   2           QB       GLN   2  -6.308  -6.278   3.588
   22    QG   GLN   2           QG       GLN   2  -5.971  -6.892   5.841
   23    QE2  GLN   2           QE2      GLN   2  -3.312  -8.245   6.138
   24    H    THR   3           HN       THR   3  -3.410  -3.996   3.722
   25    HA   THR   3           HA       THR   3  -4.094  -2.921   0.992
   26    HB   THR   3           HB       THR   3  -1.954  -1.880   2.903
   27    HG1  THR   3          1HG       THR   3  -3.948  -1.368   3.656
   28   1HG2  THR   3          2HG2      THR   3  -3.130  -0.749   0.327
   29   2HG2  THR   3          3HG2      THR   3  -1.927   0.043   1.341
   30   3HG2  THR   3          1HG2      THR   3  -1.511  -1.428   0.463
   31    QG2  THR   3           QG2      THR   3  -2.189  -0.711   0.711
   32    H    VAL   4           HN       VAL   4  -2.743  -3.365  -0.703
   33    HA   VAL   4           HA       VAL   4  -0.415  -5.225  -0.192
   34    HB   VAL   4           HB       VAL   4  -2.211  -5.134  -2.652
   35   1HG1  VAL   4          3HG1      VAL   4  -0.041  -7.070  -1.753
   36   2HG1  VAL   4          1HG1      VAL   4  -1.037  -7.267  -3.192
   37   3HG1  VAL   4          2HG1      VAL   4   0.088  -5.920  -3.079
   38   1HG2  VAL   4          1HG2      VAL   4  -2.192  -7.125  -0.356
   39   2HG2  VAL   4          2HG2      VAL   4  -3.472  -5.963  -0.690
   40   3HG2  VAL   4          3HG2      VAL   4  -3.151  -7.271  -1.829
   41    QG1  VAL   4           QG1      VAL   4  -0.330  -6.752  -2.675
   42    QG2  VAL   4           QG2      VAL   4  -2.938  -6.786  -0.958
   43    QQG  VAL   4           QQG      VAL   4  -1.634  -6.769  -1.817
   44    H    ILE   5           HN       ILE   5   1.488  -4.594  -1.074
   45    HA   ILE   5           HA       ILE   5   1.441  -2.186  -2.866
   46    HB   ILE   5           HB       ILE   5   3.683  -3.078  -1.003
   47   1HG1  ILE   5          2HG1      ILE   5   1.760  -0.744  -0.629
   48   2HG1  ILE   5          3HG1      ILE   5   1.591  -2.290   0.202
   49   1HG2  ILE   5          1HG2      ILE   5   4.403  -1.742  -2.974
   50   2HG2  ILE   5          2HG2      ILE   5   3.246  -0.483  -2.546
   51   3HG2  ILE   5          3HG2      ILE   5   4.609  -0.837  -1.485
   52   1HD1  ILE   5          1HD1      ILE   5   4.011  -0.463   0.385
   53   2HD1  ILE   5          2HD1      ILE   5   2.772  -0.661   1.623
   54   3HD1  ILE   5          3HD1      ILE   5   3.822  -2.014   1.203
   55    QG1  ILE   5           QG1      ILE   5   1.675  -1.517  -0.213
   56    QG2  ILE   5           QG2      ILE   5   4.086  -1.021  -2.335
   57    QD1  ILE   5           QD1      ILE   5   3.535  -1.046   1.070
   58    H    PHE   6           HN       PHE   6   2.097  -2.621  -4.935
   59    HA   PHE   6           HA       PHE   6   3.672  -5.096  -5.430
   60   1HB   PHE   6          2HB       PHE   6   2.295  -3.127  -7.287
   61   2HB   PHE   6          3HB       PHE   6   3.299  -4.444  -7.871
   62    HD1  PHE   6          2HD       PHE   6   0.227  -3.666  -5.932
   63    HD2  PHE   6          1HD       PHE   6   2.457  -6.706  -7.904
   64    HE1  PHE   6          2HE       PHE   6  -1.724  -5.163  -5.852
   65    HE2  PHE   6          1HE       PHE   6   0.517  -8.204  -7.806
   66    HZ   PHE   6           HZ       PHE   6  -1.581  -7.427  -6.783
   67    QB   PHE   6           QB       PHE   6   2.797  -3.785  -7.579
   68    QR   PHE   6           QR       PHE   6   0.369  -5.935  -6.874
   69    H    GLY   7           HN       GLY   7   5.652  -4.436  -4.554
   70   1HA   GLY   7          1HA       GLY   7   7.028  -2.187  -6.003
   71   2HA   GLY   7          2HA       GLY   7   7.372  -2.606  -4.324
   72    QA   GLY   7           QA       GLY   7   7.200  -2.396  -5.163
   73    NH1  ARG   8           NH2      ARG   8  15.578  -5.818  -7.003
   74    NH2  ARG   8           NH1      ARG   8  16.233  -3.655  -7.369
   75    H    ARG   8           HN       ARG   8   9.660  -2.814  -5.208
   76    HA   ARG   8           HA       ARG   8  10.019  -5.590  -6.314
   77   1HB   ARG   8          2HB       ARG   8  10.453  -3.566  -7.917
   78   2HB   ARG   8          3HB       ARG   8  11.897  -3.308  -6.963
   79   1HG   ARG   8          2HG       ARG   8  12.021  -6.041  -7.486
   80   2HG   ARG   8          3HG       ARG   8  11.299  -5.395  -8.944
   81   1HD   ARG   8          2HD       ARG   8  13.794  -5.401  -9.100
   82   2HD   ARG   8          3HD       ARG   8  13.123  -3.771  -9.210
   83    HE   ARG   8           HE       ARG   8  13.688  -3.614  -6.680
   84   1HH1  ARG   8          2HH2      ARG   8  14.823  -6.468  -6.827
   85   2HH1  ARG   8          1HH2      ARG   8  16.523  -6.129  -6.944
   86   1HH2  ARG   8          1HH1      ARG   8  15.958  -2.687  -7.454
   87   2HH2  ARG   8          2HH1      ARG   8  17.201  -3.895  -7.347
   88    QB   ARG   8           QB       ARG   8  11.175  -3.437  -7.440
   89    QG   ARG   8           QG       ARG   8  11.660  -5.718  -8.215
   90    QD   ARG   8           QD       ARG   8  13.458  -4.586  -9.155
   91    QH1  ARG   8           QH2      ARG   8  15.673  -6.298  -6.886
   92    QH2  ARG   8           QH1      ARG   8  16.579  -3.291  -7.400
   93    H    SER   9           HN       SER   9  12.877  -5.480  -6.165
   94    HA   SER   9           HA       SER   9  13.198  -5.643  -3.208
   95   1HB   SER   9          2HB       SER   9  15.463  -6.771  -4.630
   96   2HB   SER   9          3HB       SER   9  14.243  -7.619  -3.665
   97    HG   SER   9           HG       SER   9  12.837  -7.566  -5.491
   98    QB   SER   9           QB       SER   9  14.853  -7.195  -4.148
   99    H    GLY  10           HN       GLY  10  13.222  -3.167  -3.688
  100   1HA   GLY  10          1HA       GLY  10  14.857  -1.453  -2.973
  101   2HA   GLY  10          2HA       GLY  10  16.099  -2.332  -3.867
  102    QA   GLY  10           QA       GLY  10  15.478  -1.892  -3.420
  103    H    CYS  11           HN       CYS  11  13.421  -0.139  -4.095
  104    HA   CYS  11           HA       CYS  11  14.331   0.757  -6.740
  105   1HB   CYS  11          2HB       CYS  11  11.748   0.514  -7.396
  106   2HB   CYS  11          3HB       CYS  11  12.904  -0.762  -7.682
  107    QB   CYS  11           QB       CYS  11  12.326  -0.124  -7.539
  108    HA   PRO  12           HA       PRO  12  13.607   3.099  -2.895
  109   1HB   PRO  12          2HB       PRO  12  13.643   5.630  -4.454
  110   2HB   PRO  12          3HB       PRO  12  14.625   5.148  -3.066
  111   1HG   PRO  12          2HG       PRO  12  15.376   5.045  -5.854
  112   2HG   PRO  12          3HG       PRO  12  16.328   4.500  -4.473
  113   1HD   PRO  12          2HD       PRO  12  15.224   2.825  -6.455
  114   2HD   PRO  12          3HD       PRO  12  15.812   2.281  -4.865
  115    QB   PRO  12           QB       PRO  12  14.134   5.389  -3.760
  116    QG   PRO  12           QG       PRO  12  15.852   4.773  -5.164
  117    QD   PRO  12           QD       PRO  12  15.518   2.553  -5.660
  118    OH   TYR  13           OH       TYR  13   9.854  10.607  -7.393
  119    H    TYR  13           HN       TYR  13  11.933   4.556  -5.675
  120    HA   TYR  13           HA       TYR  13   9.740   5.720  -4.417
  121   1HB   TYR  13          2HB       TYR  13  10.154   4.458  -7.094
  122   2HB   TYR  13          3HB       TYR  13   8.480   4.697  -6.595
  123    HD1  TYR  13           HD2      TYR  13  11.717   6.613  -6.423
  124    HD2  TYR  13           HD1      TYR  13   7.534   6.736  -7.196
  125    HE1  TYR  13           HE2      TYR  13  11.855   9.021  -6.819
  126    HE2  TYR  13           HE1      TYR  13   7.666   9.159  -7.511
  127    HH   TYR  13           HH       TYR  13   9.999  10.762  -8.332
  128    QB   TYR  13           QB       TYR  13   9.317   4.578  -6.845
  129    QR   TYR  13           QR       TYR  13   9.693   7.882  -6.987
  130    H    CYS  14           HN       CYS  14  10.071   2.302  -5.275
  131    HA   CYS  14           HA       CYS  14   7.469   1.468  -4.481
  132   1HB   CYS  14          2HB       CYS  14   8.512  -0.760  -4.118
  133   2HB   CYS  14          3HB       CYS  14   8.874  -0.064  -5.674
  134    QB   CYS  14           QB       CYS  14   8.693  -0.412  -4.896
  135    H    VAL  15           HN       VAL  15  10.449   1.719  -2.602
  136    HA   VAL  15           HA       VAL  15   9.518   0.600  -0.173
  137    HB   VAL  15           HB       VAL  15  11.551   2.808  -0.601
  138   1HG1  VAL  15          3HG1      VAL  15  11.122   0.945   1.779
  139   2HG1  VAL  15          1HG1      VAL  15  12.449   2.092   1.602
  140   3HG1  VAL  15          2HG1      VAL  15  10.796   2.676   1.775
  141   1HG2  VAL  15          3HG2      VAL  15  11.805  -0.220  -0.369
  142   2HG2  VAL  15          1HG2      VAL  15  12.016   0.713  -1.843
  143   3HG2  VAL  15          2HG2      VAL  15  13.157   0.898  -0.518
  144    QG1  VAL  15           QG1      VAL  15  11.456   1.904   1.718
  145    QG2  VAL  15           QG2      VAL  15  12.326   0.463  -0.910
  146    QQG  VAL  15           QQG      VAL  15  11.891   1.184   0.404
  147    NH1  ARG  16           NH1      ARG  16   8.157   8.942   1.017
  148    NH2  ARG  16           NH2      ARG  16   6.949   7.175   1.784
  149    H    ARG  16           HN       ARG  16   9.390   3.939  -1.335
  150    HA   ARG  16           HA       ARG  16   8.415   5.181   0.948
  151   1HB   ARG  16          2HB       ARG  16   7.623   5.695  -1.930
  152   2HB   ARG  16          3HB       ARG  16   7.106   6.735  -0.617
  153   1HG   ARG  16          2HG       ARG  16   9.815   6.401  -1.825
  154   2HG   ARG  16          3HG       ARG  16   9.022   7.864  -1.275
  155   1HD   ARG  16          2HD       ARG  16  10.482   5.772   0.385
  156   2HD   ARG  16          3HD       ARG  16  10.824   7.487   0.269
  157    HE   ARG  16           HE       ARG  16   9.404   6.538   2.370
  158   1HH1  ARG  16          2HH1      ARG  16   9.045   9.329   0.782
  159   2HH1  ARG  16          1HH1      ARG  16   7.315   9.482   0.903
  160   1HH2  ARG  16          2HH2      ARG  16   6.909   6.218   2.085
  161   2HH2  ARG  16          1HH2      ARG  16   6.106   7.714   1.721
  162    QB   ARG  16           QB       ARG  16   7.364   6.215  -1.273
  163    QG   ARG  16           QG       ARG  16   9.419   7.132  -1.550
  164    QD   ARG  16           QD       ARG  16  10.653   6.630   0.327
  165    QH1  ARG  16           QH1      ARG  16   8.180   9.406   0.842
  166    QH2  ARG  16           QH2      ARG  16   6.508   6.966   1.903
  167    H    ALA  17           HN       ALA  17   6.402   3.518  -1.413
  168    HA   ALA  17           HA       ALA  17   3.887   4.003  -0.184
  169   1HB   ALA  17          2HB       ALA  17   4.887   1.518  -1.618
  170   2HB   ALA  17          3HB       ALA  17   3.193   1.847  -1.267
  171   3HB   ALA  17          1HB       ALA  17   4.086   2.898  -2.357
  172    QB   ALA  17           QB       ALA  17   4.055   2.088  -1.747
  173    H    LYS  18           HN       LYS  18   6.289   1.451   0.446
  174    HA   LYS  18           HA       LYS  18   4.812   0.108   2.482
  175   1HB   LYS  18          2HB       LYS  18   6.631  -1.147   1.804
  176   2HB   LYS  18          3HB       LYS  18   7.677   0.249   1.642
  177   1HG   LYS  18          2HG       LYS  18   6.881  -0.230   4.450
  178   2HG   LYS  18          3HG       LYS  18   7.717  -1.597   3.728
  179   1HD   LYS  18          2HD       LYS  18   9.608  -0.305   3.141
  180   2HD   LYS  18          3HD       LYS  18   8.769   1.211   3.370
  181   1HE   LYS  18          2HE       LYS  18   9.297  -0.711   5.663
  182   2HE   LYS  18          3HE       LYS  18  10.384   0.612   5.243
  183   1HZ   LYS  18          3HZ       LYS  18   7.677   1.444   5.381
  184   2HZ   LYS  18          1HZ       LYS  18   8.183   0.784   6.868
  185   3HZ   LYS  18          2HZ       LYS  18   9.039   2.097   6.143
  186    QB   LYS  18           QB       LYS  18   7.154  -0.449   1.723
  187    QG   LYS  18           QG       LYS  18   7.299  -0.914   4.089
  188    QD   LYS  18           QD       LYS  18   9.188   0.453   3.255
  189    QE   LYS  18           QE       LYS  18   9.841  -0.050   5.453
  190    QZ   LYS  18           QZ       LYS  18   8.300   1.442   6.131
  191    H    ASP  19           HN       ASP  19   7.282   2.725   2.760
  192    HA   ASP  19           HA       ASP  19   7.144   3.048   5.562
  193   1HB   ASP  19          2HB       ASP  19   7.264   5.296   3.550
  194   2HB   ASP  19          3HB       ASP  19   7.750   5.371   5.228
  195    QB   ASP  19           QB       ASP  19   7.507   5.333   4.389
  196    H    LEU  20           HN       LEU  20   5.037   4.517   3.132
  197    HA   LEU  20           HA       LEU  20   3.387   5.854   5.037
  198   1HB   LEU  20          2HB       LEU  20   3.151   6.444   2.719
  199   2HB   LEU  20          3HB       LEU  20   2.783   4.792   2.257
  200    HG   LEU  20           HG       LEU  20   0.646   4.904   3.505
  201   1HD1  LEU  20          2HD1      LEU  20   1.492   7.769   4.094
  202   2HD1  LEU  20          3HD1      LEU  20  -0.094   7.086   4.448
  203   3HD1  LEU  20          1HD1      LEU  20   1.327   6.479   5.281
  204   1HD2  LEU  20          1HD2      LEU  20   0.701   5.646   1.140
  205   2HD2  LEU  20          2HD2      LEU  20  -0.493   6.556   2.057
  206   3HD2  LEU  20          3HD2      LEU  20   1.059   7.288   1.664
  207    QB   LEU  20           QB       LEU  20   2.967   5.618   2.488
  208    QD1  LEU  20           QD1      LEU  20   0.908   7.111   4.607
  209    QD2  LEU  20           QD2      LEU  20   0.423   6.496   1.620
  210    QQD  LEU  20           QQD      LEU  20   0.665   6.804   3.114
  211    H    ALA  21           HN       ALA  21   2.579   2.863   3.293
  212    HA   ALA  21           HA       ALA  21   0.300   2.106   4.708
  213   1HB   ALA  21          1HB       ALA  21   2.522   0.296   3.701
  214   2HB   ALA  21          2HB       ALA  21   0.888  -0.231   4.085
  215   3HB   ALA  21          3HB       ALA  21   1.159   0.878   2.745
  216    QB   ALA  21           QB       ALA  21   1.523   0.314   3.510
  217    H    GLU  22           HN       GLU  22   3.619   1.270   5.470
  218    HA   GLU  22           HA       GLU  22   3.110  -0.200   7.848
  219   1HB   GLU  22          2HB       GLU  22   5.247   0.085   6.357
  220   2HB   GLU  22          3HB       GLU  22   5.561   1.511   7.333
  221   1HG   GLU  22          2HG       GLU  22   5.636   0.175   9.357
  222   2HG   GLU  22          3HG       GLU  22   5.145  -1.273   8.477
  223    QB   GLU  22           QB       GLU  22   5.404   0.798   6.845
  224    QG   GLU  22           QG       GLU  22   5.391  -0.549   8.917
  225    H    LYS  23           HN       LYS  23   4.062   3.183   7.315
  226    HA   LYS  23           HA       LYS  23   4.103   4.224   9.874
  227   1HB   LYS  23          2HB       LYS  23   4.554   5.583   7.849
  228   2HB   LYS  23          3HB       LYS  23   2.838   5.585   7.469
  229   1HG   LYS  23          2HG       LYS  23   3.606   6.487  10.212
  230   2HG   LYS  23          3HG       LYS  23   4.018   7.564   8.885
  231   1HD   LYS  23          2HD       LYS  23   1.752   7.840   8.233
  232   2HD   LYS  23          3HD       LYS  23   1.215   6.416   9.100
  233   1HE   LYS  23          2HE       LYS  23   2.324   8.896  10.460
  234   2HE   LYS  23          3HE       LYS  23   0.609   8.602  10.205
  235   1HZ   LYS  23          2HZ       LYS  23   1.641   6.301  11.391
  236   2HZ   LYS  23          3HZ       LYS  23   2.246   7.635  12.265
  237   3HZ   LYS  23          1HZ       LYS  23   0.570   7.454  12.040
  238    QB   LYS  23           QB       LYS  23   3.696   5.584   7.659
  239    QG   LYS  23           QG       LYS  23   3.812   7.025   9.549
  240    QD   LYS  23           QD       LYS  23   1.483   7.128   8.667
  241    QE   LYS  23           QE       LYS  23   1.467   8.749  10.332
  242    QZ   LYS  23           QZ       LYS  23   1.486   7.130  11.899
  243    H    LEU  24           HN       LEU  24   1.290   3.510   7.931
  244    HA   LEU  24           HA       LEU  24  -0.614   4.475   9.909
  245   1HB   LEU  24          2HB       LEU  24  -0.766   2.923   7.341
  246   2HB   LEU  24          3HB       LEU  24  -2.175   2.948   8.397
  247    HG   LEU  24           HG       LEU  24  -0.729   5.503   7.719
  248   1HD1  LEU  24          2HD1      LEU  24  -2.858   4.084   6.093
  249   2HD1  LEU  24          3HD1      LEU  24  -2.397   5.770   5.876
  250   3HD1  LEU  24          1HD1      LEU  24  -1.232   4.488   5.559
  251   1HD2  LEU  24          1HD2      LEU  24  -3.606   4.816   8.439
  252   2HD2  LEU  24          2HD2      LEU  24  -2.420   5.493   9.550
  253   3HD2  LEU  24          3HD2      LEU  24  -2.989   6.439   8.179
  254    QB   LEU  24           QB       LEU  24  -1.470   2.936   7.869
  255    QD1  LEU  24           QD1      LEU  24  -2.163   4.780   5.843
  256    QD2  LEU  24           QD2      LEU  24  -3.005   5.583   8.723
  257    QQD  LEU  24           QQD      LEU  24  -2.584   5.182   7.283
  258    H    SER  25           HN       SER  25   0.486   1.285   8.899
  259    HA   SER  25           HA       SER  25  -1.051  -0.295  10.623
  260   1HB   SER  25          2HB       SER  25   1.876  -0.628   9.829
  261   2HB   SER  25          3HB       SER  25   0.896  -1.900  10.601
  262    HG   SER  25           HG       SER  25  -0.724  -1.287   8.903
  263    QB   SER  25           QB       SER  25   1.386  -1.264  10.215
  264    H    ASN  26           HN       ASN  26   1.950   1.465  11.396
  265    HA   ASN  26           HA       ASN  26   1.771   0.590  14.197
  266   1HB   ASN  26          2HB       ASN  26   3.661   2.084  14.572
  267   2HB   ASN  26          3HB       ASN  26   3.935   1.119  13.124
  268   1HD2  ASN  26          2HD2      ASN  26   3.435   5.130  12.804
  269   2HD2  ASN  26          1HD2      ASN  26   3.082   4.357  14.273
  270    QB   ASN  26           QB       ASN  26   3.798   1.601  13.848
  271    QD2  ASN  26           QD2      ASN  26   3.258   4.743  13.539
  272    H    GLU  27           HN       GLU  27  -0.434   2.055  13.005
  273    HA   GLU  27           HA       GLU  27  -0.774   4.200  15.044
  274   1HB   GLU  27          2HB       GLU  27  -1.100   4.373  12.148
  275   2HB   GLU  27          3HB       GLU  27  -2.597   4.754  12.962
  276   1HG   GLU  27          2HG       GLU  27  -1.106   6.309  14.448
  277   2HG   GLU  27          3HG       GLU  27   0.060   6.145  13.144
  278    QB   GLU  27           QB       GLU  27  -1.849   4.563  12.555
  279    QG   GLU  27           QG       GLU  27  -0.523   6.227  13.796
  280    NH1  ARG  28           NH2      ARG  28  -7.462   7.461  12.916
  281    NH2  ARG  28           NH1      ARG  28  -7.376   6.919  10.713
  282    H    ARG  28           HN       ARG  28  -2.750   2.367  12.732
  283    HA   ARG  28           HA       ARG  28  -4.667   1.866  14.985
  284   1HB   ARG  28          2HB       ARG  28  -5.364   2.165  12.040
  285   2HB   ARG  28          3HB       ARG  28  -6.494   2.018  13.378
  286   1HG   ARG  28          2HG       ARG  28  -6.186   4.215  14.080
  287   2HG   ARG  28          3HG       ARG  28  -4.520   4.279  13.533
  288   1HD   ARG  28          2HD       ARG  28  -5.355   4.303  11.158
  289   2HD   ARG  28          3HD       ARG  28  -7.003   4.380  11.774
  290    HE   ARG  28           HE       ARG  28  -4.957   6.531  12.345
  291   1HH1  ARG  28          2HH2      ARG  28  -7.077   7.389  13.827
  292   2HH1  ARG  28          1HH2      ARG  28  -8.312   7.998  12.768
  293   1HH2  ARG  28          2HH1      ARG  28  -6.924   6.437   9.975
  294   2HH2  ARG  28          1HH1      ARG  28  -8.227   7.448  10.525
  295    QB   ARG  28           QB       ARG  28  -5.929   2.092  12.709
  296    QG   ARG  28           QG       ARG  28  -5.353   4.247  13.806
  297    QD   ARG  28           QD       ARG  28  -6.179   4.342  11.466
  298    QH1  ARG  28           QH2      ARG  28  -7.694   7.694  13.298
  299    QH2  ARG  28           QH1      ARG  28  -7.575   6.943  10.250
  300    H    ASP  29           HN       ASP  29  -5.678  -0.149  15.020
  301    HA   ASP  29           HA       ASP  29  -4.030  -2.344  14.055
  302   1HB   ASP  29          2HB       ASP  29  -6.834  -2.851  14.981
  303   2HB   ASP  29          3HB       ASP  29  -5.353  -3.692  15.410
  304    QB   ASP  29           QB       ASP  29  -6.093  -3.271  15.196
  305    H    ASP  30           HN       ASP  30  -6.837  -0.647  12.984
  306    HA   ASP  30           HA       ASP  30  -7.748  -2.720  11.185
  307   1HB   ASP  30          2HB       ASP  30  -9.313  -0.999  12.015
  308   2HB   ASP  30          3HB       ASP  30  -8.409   0.238  11.148
  309    QB   ASP  30           QB       ASP  30  -8.861  -0.380  11.582
  310    H    PHE  31           HN       PHE  31  -5.044  -0.633  10.958
  311    HA   PHE  31           HA       PHE  31  -5.300  -0.805   7.971
  312   1HB   PHE  31          2HB       PHE  31  -4.829   1.507   8.899
  313   2HB   PHE  31          3HB       PHE  31  -3.254   0.901   9.418
  314    HD1  PHE  31          2HD       PHE  31  -5.470   1.240   6.416
  315    HD2  PHE  31          1HD       PHE  31  -1.501   0.561   7.823
  316    HE1  PHE  31          2HE       PHE  31  -4.660   1.101   4.094
  317    HE2  PHE  31          1HE       PHE  31  -0.717   0.417   5.525
  318    HZ   PHE  31           HZ       PHE  31  -2.279   0.734   3.652
  319    QB   PHE  31           QB       PHE  31  -4.042   1.204   9.159
  320    QR   PHE  31           QR       PHE  31  -3.087   0.830   5.964
  321    H    GLN  32           HN       GLN  32  -4.600  -2.818   7.532
  322    HA   GLN  32           HA       GLN  32  -1.785  -3.447   8.361
  323   1HB   GLN  32          2HB       GLN  32  -3.878  -5.408   7.364
  324   2HB   GLN  32          3HB       GLN  32  -2.321  -5.795   8.072
  325   1HG   GLN  32          2HG       GLN  32  -3.335  -5.909  10.095
  326   2HG   GLN  32          3HG       GLN  32  -3.667  -4.183   9.986
  327   1HE2  GLN  32          2HE2      GLN  32  -7.116  -4.908   9.885
  328   2HE2  GLN  32          1HE2      GLN  32  -5.863  -4.001  10.582
  329    QB   GLN  32           QB       GLN  32  -3.099  -5.602   7.718
  330    QG   GLN  32           QG       GLN  32  -3.501  -5.046  10.040
  331    QE2  GLN  32           QE2      GLN  32  -6.489  -4.454  10.233
  332    OH   TYR  33           OH       TYR  33   5.183  -3.242   6.871
  333    H    TYR  33           HN       TYR  33  -0.526  -4.556   6.696
  334    HA   TYR  33           HA       TYR  33  -1.502  -4.281   3.947
  335   1HB   TYR  33          2HB       TYR  33   0.290  -2.856   3.190
  336   2HB   TYR  33          3HB       TYR  33  -0.417  -2.062   4.589
  337    HD1  TYR  33           HD1      TYR  33   0.736  -2.430   6.875
  338    HD2  TYR  33           HD2      TYR  33   2.585  -3.423   3.175
  339    HE1  TYR  33           HE1      TYR  33   2.914  -2.533   7.990
  340    HE2  TYR  33           HE2      TYR  33   4.753  -3.562   4.295
  341    HH   TYR  33           HH       TYR  33   5.751  -2.461   6.729
  342    QB   TYR  33           QB       TYR  33  -0.064  -2.459   3.890
  343    QR   TYR  33           QR       TYR  33   2.747  -2.987   5.584
  344    H    GLN  34           HN       GLN  34   0.056  -5.235   2.429
  345    HA   GLN  34           HA       GLN  34   1.849  -7.270   3.672
  346   1HB   GLN  34          2HB       GLN  34  -0.246  -8.390   2.961
  347   2HB   GLN  34          3HB       GLN  34  -0.096  -7.681   1.357
  348   1HG   GLN  34          2HG       GLN  34   2.094  -8.880   1.075
  349   2HG   GLN  34          3HG       GLN  34   1.854  -9.635   2.648
  350   1HE2  GLN  34          2HE2      GLN  34   0.355 -11.518  -0.440
  351   2HE2  GLN  34          1HE2      GLN  34   1.692 -10.470  -0.458
  352    QB   GLN  34           QB       GLN  34  -0.171  -8.036   2.159
  353    QG   GLN  34           QG       GLN  34   1.974  -9.257   1.861
  354    QE2  GLN  34           QE2      GLN  34   1.023 -10.994  -0.449
  355    OH   TYR  35           OH       TYR  35   8.987  -3.562  -2.541
  356    H    TYR  35           HN       TYR  35   3.825  -7.439   2.619
  357    HA   TYR  35           HA       TYR  35   4.217  -5.420   0.486
  358   1HB   TYR  35          2HB       TYR  35   5.914  -5.679   2.395
  359   2HB   TYR  35          3HB       TYR  35   6.357  -7.227   1.670
  360    HD1  TYR  35           HD2      TYR  35   5.815  -3.652   0.691
  361    HD2  TYR  35           HD1      TYR  35   8.034  -7.219  -0.035
  362    HE1  TYR  35           HE2      TYR  35   7.105  -2.498  -1.047
  363    HE2  TYR  35           HE1      TYR  35   9.293  -6.075  -1.791
  364    HH   TYR  35           HH       TYR  35   9.728  -4.123  -2.828
  365    QB   TYR  35           QB       TYR  35   6.135  -6.453   2.033
  366    QR   TYR  35           QR       TYR  35   7.562  -4.861  -0.545
  367    H    VAL  36           HN       VAL  36   4.681  -5.943  -1.579
  368    HA   VAL  36           HA       VAL  36   4.872  -8.833  -2.274
  369    HB   VAL  36           HB       VAL  36   2.850  -6.774  -3.076
  370   1HG1  VAL  36          3HG1      VAL  36   3.876  -8.885  -5.020
  371   2HG1  VAL  36          1HG1      VAL  36   2.444  -7.886  -5.259
  372   3HG1  VAL  36          2HG1      VAL  36   4.036  -7.144  -5.227
  373   1HG2  VAL  36          1HG2      VAL  36   2.326  -8.712  -1.640
  374   2HG2  VAL  36          2HG2      VAL  36   1.428  -8.778  -3.155
  375   3HG2  VAL  36          3HG2      VAL  36   2.842  -9.806  -2.927
  376    QG1  VAL  36           QG1      VAL  36   3.452  -7.972  -5.169
  377    QG2  VAL  36           QG2      VAL  36   2.199  -9.098  -2.574
  378    QQG  VAL  36           QQG      VAL  36   2.826  -8.535  -3.872
  379    H    ASP  37           HN       ASP  37   6.355  -9.268  -3.849
  380    HA   ASP  37           HA       ASP  37   7.875  -6.936  -4.961
  381   1HB   ASP  37          2HB       ASP  37   9.137  -8.504  -3.400
  382   2HB   ASP  37          3HB       ASP  37   8.876  -9.774  -4.585
  383    QB   ASP  37           QB       ASP  37   9.006  -9.139  -3.993
  384    H    ILE  38           HN       ILE  38   7.533  -6.671  -7.069
  385    HA   ILE  38           HA       ILE  38   5.925  -8.177  -8.692
  386    HB   ILE  38           HB       ILE  38   7.112  -7.162 -10.648
  387   1HG1  ILE  38          2HG1      ILE  38   8.867  -5.866  -8.547
  388   2HG1  ILE  38          3HG1      ILE  38   9.368  -7.279  -9.462
  389   1HG2  ILE  38          3HG2      ILE  38   5.321  -5.964  -9.396
  390   2HG2  ILE  38          1HG2      ILE  38   6.527  -5.315  -8.292
  391   3HG2  ILE  38          2HG2      ILE  38   6.536  -4.839  -9.984
  392   1HD1  ILE  38          3HD1      ILE  38   8.999  -6.021 -11.592
  393   2HD1  ILE  38          1HD1      ILE  38   8.509  -4.612 -10.661
  394   3HD1  ILE  38          2HD1      ILE  38  10.162  -5.190 -10.568
  395    QG1  ILE  38           QG1      ILE  38   9.117  -6.573  -9.004
  396    QG2  ILE  38           QG2      ILE  38   6.128  -5.373  -9.224
  397    QD1  ILE  38           QD1      ILE  38   9.224  -5.274 -10.940
  398    NH1  ARG  39           NH1      ARG  39  11.086 -11.485  -5.040
  399    NH2  ARG  39           NH2      ARG  39  12.781  -9.956  -4.931
  400    H    ARG  39           HN       ARG  39   9.306  -9.029  -8.004
  401    HA   ARG  39           HA       ARG  39   9.086 -11.142 -10.114
  402   1HB   ARG  39          2HB       ARG  39  11.466 -11.469  -9.875
  403   2HB   ARG  39          3HB       ARG  39  11.161  -9.742  -9.972
  404   1HG   ARG  39          2HG       ARG  39  12.309  -9.509  -8.039
  405   2HG   ARG  39          3HG       ARG  39  10.973 -10.325  -7.239
  406   1HD   ARG  39          2HD       ARG  39  12.149 -12.540  -8.028
  407   2HD   ARG  39          3HD       ARG  39  13.553 -11.517  -8.271
  408    HE   ARG  39           HE       ARG  39  13.701 -12.292  -5.948
  409   1HH1  ARG  39          2HH1      ARG  39  10.740 -12.344  -5.428
  410   2HH1  ARG  39          1HH1      ARG  39  10.522 -10.956  -4.399
  411   1HH2  ARG  39          2HH2      ARG  39  13.669  -9.640  -5.270
  412   2HH2  ARG  39          1HH2      ARG  39  12.282  -9.402  -4.261
  413    QB   ARG  39           QB       ARG  39  11.313 -10.606  -9.924
  414    QG   ARG  39           QG       ARG  39  11.641  -9.917  -7.639
  415    QD   ARG  39           QD       ARG  39  12.851 -12.028  -8.149
  416    QH1  ARG  39           QH1      ARG  39  10.631 -11.650  -4.914
  417    QH2  ARG  39           QH2      ARG  39  12.976  -9.521  -4.765
  418    H    ALA  40           HN       ALA  40   7.848 -11.070  -7.293
  419    HA   ALA  40           HA       ALA  40   8.777 -13.740  -6.319
  420   1HB   ALA  40          3HB       ALA  40   8.615 -11.880  -4.635
  421   2HB   ALA  40          1HB       ALA  40   6.912 -11.695  -5.037
  422   3HB   ALA  40          2HB       ALA  40   7.481 -13.178  -4.280
  423    QB   ALA  40           QB       ALA  40   7.669 -12.251  -4.651
  424    H    GLU  41           HN       GLU  41   6.022 -11.821  -7.263
  425    HA   GLU  41           HA       GLU  41   4.168 -14.106  -7.341
  426   1HB   GLU  41          2HB       GLU  41   3.970 -11.151  -7.957
  427   2HB   GLU  41          3HB       GLU  41   2.730 -12.238  -8.557
  428   1HG   GLU  41          2HG       GLU  41   2.209 -12.996  -6.304
  429   2HG   GLU  41          3HG       GLU  41   3.554 -12.083  -5.637
  430    QB   GLU  41           QB       GLU  41   3.350 -11.694  -8.257
  431    QG   GLU  41           QG       GLU  41   2.882 -12.539  -5.971
  432    H    GLY  42           HN       GLY  42   5.949 -12.081  -9.621
  433   1HA   GLY  42          1HA       GLY  42   6.860 -13.134 -11.677
  434   2HA   GLY  42          2HA       GLY  42   5.388 -14.103 -11.765
  435    QA   GLY  42           QA       GLY  42   6.124 -13.619 -11.721
  436    H    ILE  43           HN       ILE  43   6.017 -10.670 -11.247
  437    HA   ILE  43           HA       ILE  43   3.984 -10.047 -13.324
  438    HB   ILE  43           HB       ILE  43   5.120  -8.387 -11.039
  439   1HG1  ILE  43          2HG1      ILE  43   2.367  -9.625 -11.419
  440   2HG1  ILE  43          3HG1      ILE  43   3.652 -10.411 -10.516
  441   1HG2  ILE  43          3HG2      ILE  43   2.824  -7.800 -12.959
  442   2HG2  ILE  43          1HG2      ILE  43   3.271  -6.818 -11.574
  443   3HG2  ILE  43          2HG2      ILE  43   4.371  -6.952 -12.936
  444   1HD1  ILE  43          2HD1      ILE  43   2.466  -7.692  -9.869
  445   2HD1  ILE  43          3HD1      ILE  43   2.143  -9.193  -9.008
  446   3HD1  ILE  43          1HD1      ILE  43   3.756  -8.489  -8.969
  447    QG1  ILE  43           QG1      ILE  43   3.010 -10.018 -10.967
  448    QG2  ILE  43           QG2      ILE  43   3.489  -7.190 -12.490
  449    QD1  ILE  43           QD1      ILE  43   2.788  -8.458  -9.282
  450    H    THR  44           HN       THR  44   4.361  -8.227 -14.687
  451    HA   THR  44           HA       THR  44   7.210  -7.973 -15.535
  452    HB   THR  44           HB       THR  44   6.176  -7.568 -17.814
  453    HG1  THR  44          1HG       THR  44   3.728  -8.445 -17.164
  454   1HG2  THR  44          3HG2      THR  44   6.664  -9.938 -17.032
  455   2HG2  THR  44          1HG2      THR  44   5.032 -10.018 -16.386
  456   3HG2  THR  44          2HG2      THR  44   5.287  -9.852 -18.121
  457    QG2  THR  44           QG2      THR  44   5.661  -9.936 -17.180
  458    H    LYS  45           HN       LYS  45   6.757  -5.869 -17.347
  459    HA   LYS  45           HA       LYS  45   6.113  -3.545 -15.550
  460   1HB   LYS  45          2HB       LYS  45   8.515  -3.830 -16.454
  461   2HB   LYS  45          3HB       LYS  45   7.849  -3.631 -18.066
  462   1HG   LYS  45          2HG       LYS  45   6.817  -1.404 -16.984
  463   2HG   LYS  45          3HG       LYS  45   8.109  -1.631 -15.831
  464   1HD   LYS  45          2HD       LYS  45   8.799  -0.147 -17.700
  465   2HD   LYS  45          3HD       LYS  45   9.791  -1.587 -17.592
  466   1HE   LYS  45          2HE       LYS  45   8.953  -0.822 -19.941
  467   2HE   LYS  45          3HE       LYS  45   8.888  -2.527 -19.537
  468   1HZ   LYS  45          3HZ       LYS  45   6.459  -1.487 -18.707
  469   2HZ   LYS  45          1HZ       LYS  45   6.759  -0.784 -20.228
  470   3HZ   LYS  45          2HZ       LYS  45   6.756  -2.475 -20.042
  471    QB   LYS  45           QB       LYS  45   8.182  -3.730 -17.260
  472    QG   LYS  45           QG       LYS  45   7.463  -1.517 -16.408
  473    QD   LYS  45           QD       LYS  45   9.295  -0.867 -17.646
  474    QE   LYS  45           QE       LYS  45   8.920  -1.675 -19.739
  475    QZ   LYS  45           QZ       LYS  45   6.658  -1.582 -19.659
  476    H    GLU  46           HN       GLU  46   4.641  -5.426 -17.556
  477    HA   GLU  46           HA       GLU  46   3.391  -3.291 -19.222
  478   1HB   GLU  46          2HB       GLU  46   2.798  -5.838 -20.343
  479   2HB   GLU  46          3HB       GLU  46   3.810  -4.578 -21.028
  480   1HG   GLU  46          2HG       GLU  46   4.781  -6.701 -19.084
  481   2HG   GLU  46          3HG       GLU  46   5.002  -6.764 -20.823
  482    QB   GLU  46           QB       GLU  46   3.304  -5.208 -20.685
  483    QG   GLU  46           QG       GLU  46   4.891  -6.732 -19.953
  484    H    ASP  47           HN       ASP  47   2.780  -6.437 -17.615
  485    HA   ASP  47           HA       ASP  47  -0.075  -6.336 -17.762
  486   1HB   ASP  47          2HB       ASP  47   1.398  -8.309 -17.060
  487   2HB   ASP  47          3HB       ASP  47   1.587  -7.529 -15.504
  488    QB   ASP  47           QB       ASP  47   1.493  -7.919 -16.282
  489    H    LEU  48           HN       LEU  48   2.219  -5.207 -15.336
  490    HA   LEU  48           HA       LEU  48   0.612  -4.185 -13.339
  491   1HB   LEU  48          2HB       LEU  48   3.143  -3.153 -14.572
  492   2HB   LEU  48          3HB       LEU  48   2.375  -2.224 -13.297
  493    HG   LEU  48           HG       LEU  48   3.149  -5.163 -13.081
  494   1HD1  LEU  48          2HD1      LEU  48   5.105  -3.645 -13.236
  495   2HD1  LEU  48          3HD1      LEU  48   4.442  -2.678 -11.915
  496   3HD1  LEU  48          1HD1      LEU  48   4.954  -4.335 -11.621
  497   1HD2  LEU  48          3HD2      LEU  48   1.237  -4.486 -11.571
  498   2HD2  LEU  48          1HD2      LEU  48   2.692  -4.858 -10.665
  499   3HD2  LEU  48          2HD2      LEU  48   2.234  -3.188 -10.935
  500    QB   LEU  48           QB       LEU  48   2.759  -2.688 -13.934
  501    QD1  LEU  48           QD1      LEU  48   4.834  -3.553 -12.258
  502    QD2  LEU  48           QD2      LEU  48   2.054  -4.177 -11.057
  503    QQD  LEU  48           QQD      LEU  48   3.444  -3.865 -11.657
  504    H    GLN  49           HN       GLN  49   1.365  -2.557 -16.359
  505    HA   GLN  49           HA       GLN  49  -0.028  -0.150 -16.008
  506   1HB   GLN  49          2HB       GLN  49   1.290  -1.033 -18.076
  507   2HB   GLN  49          3HB       GLN  49  -0.226  -1.757 -18.582
  508   1HG   GLN  49          2HG       GLN  49  -0.502   1.060 -17.767
  509   2HG   GLN  49          3HG       GLN  49   0.586   0.838 -19.122
  510   1HE2  GLN  49          2HE2      GLN  49  -2.190   0.776 -21.264
  511   2HE2  GLN  49          1HE2      GLN  49  -0.720   1.525 -20.840
  512    QB   GLN  49           QB       GLN  49   0.532  -1.395 -18.329
  513    QG   GLN  49           QG       GLN  49   0.042   0.949 -18.445
  514    QE2  GLN  49           QE2      GLN  49  -1.455   1.151 -21.052
  515    H    GLN  50           HN       GLN  50  -1.291  -3.247 -17.125
  516    HA   GLN  50           HA       GLN  50  -4.076  -2.411 -17.157
  517   1HB   GLN  50          2HB       GLN  50  -2.635  -5.070 -17.376
  518   2HB   GLN  50          3HB       GLN  50  -4.387  -5.019 -17.260
  519   1HG   GLN  50          2HG       GLN  50  -2.926  -3.345 -19.317
  520   2HG   GLN  50          3HG       GLN  50  -3.329  -5.030 -19.627
  521   1HE2  GLN  50          2HE2      GLN  50  -6.206  -2.260 -19.946
  522   2HE2  GLN  50          1HE2      GLN  50  -4.572  -1.859 -19.750
  523    QB   GLN  50           QB       GLN  50  -3.511  -5.045 -17.318
  524    QG   GLN  50           QG       GLN  50  -3.127  -4.188 -19.472
  525    QE2  GLN  50           QE2      GLN  50  -5.389  -2.060 -19.848
  526    H    LYS  51           HN       LYS  51  -2.070  -4.223 -14.891
  527    HA   LYS  51           HA       LYS  51  -4.016  -5.083 -13.055
  528   1HB   LYS  51          2HB       LYS  51  -1.262  -4.012 -12.358
  529   2HB   LYS  51          3HB       LYS  51  -2.203  -5.122 -11.401
  530   1HG   LYS  51          2HG       LYS  51  -1.592  -5.987 -14.191
  531   2HG   LYS  51          3HG       LYS  51  -0.236  -5.916 -13.090
  532   1HD   LYS  51          2HD       LYS  51  -1.051  -8.124 -12.883
  533   2HD   LYS  51          3HD       LYS  51  -1.645  -7.289 -11.456
  534   1HE   LYS  51          2HE       LYS  51  -3.406  -8.656 -12.515
  535   2HE   LYS  51          3HE       LYS  51  -3.831  -6.953 -12.516
  536   1HZ   LYS  51          2HZ       LYS  51  -2.325  -7.627 -14.842
  537   2HZ   LYS  51          3HZ       LYS  51  -3.694  -8.615 -14.718
  538   3HZ   LYS  51          1HZ       LYS  51  -3.870  -6.920 -14.734
  539    QB   LYS  51           QB       LYS  51  -1.732  -4.567 -11.879
  540    QG   LYS  51           QG       LYS  51  -0.914  -5.952 -13.641
  541    QD   LYS  51           QD       LYS  51  -1.348  -7.706 -12.169
  542    QE   LYS  51           QE       LYS  51  -3.618  -7.804 -12.516
  543    QZ   LYS  51           QZ       LYS  51  -3.297  -7.721 -14.765
  544    H    ALA  52           HN       ALA  52  -2.208  -2.052 -13.142
  545    HA   ALA  52           HA       ALA  52  -3.654  -0.872 -10.928
  546   1HB   ALA  52          2HB       ALA  52  -1.872   0.339 -13.065
  547   2HB   ALA  52          3HB       ALA  52  -2.432   1.187 -11.632
  548   3HB   ALA  52          1HB       ALA  52  -1.367  -0.197 -11.467
  549    QB   ALA  52           QB       ALA  52  -1.891   0.443 -12.055
  550    H    GLY  53           HN       GLY  53  -3.635  -0.360 -14.468
  551   1HA   GLY  53          1HA       GLY  53  -5.581   0.122 -15.787
  552   2HA   GLY  53          2HA       GLY  53  -6.496   0.418 -14.308
  553    QA   GLY  53           QA       GLY  53  -6.038   0.270 -15.048
  554    H    LYS  54           HN       LYS  54  -3.447   1.851 -14.419
  555    HA   LYS  54           HA       LYS  54  -4.626   4.490 -15.134
  556   1HB   LYS  54          2HB       LYS  54  -3.941   4.045 -12.694
  557   2HB   LYS  54          3HB       LYS  54  -2.281   4.036 -13.277
  558   1HG   LYS  54          2HG       LYS  54  -2.980   6.310 -14.430
  559   2HG   LYS  54          3HG       LYS  54  -4.257   6.284 -13.227
  560   1HD   LYS  54          2HD       LYS  54  -1.275   6.112 -12.659
  561   2HD   LYS  54          3HD       LYS  54  -2.282   7.532 -12.396
  562   1HE   LYS  54          2HE       LYS  54  -3.161   6.717 -10.469
  563   2HE   LYS  54          3HE       LYS  54  -3.318   5.085 -11.100
  564   1HZ   LYS  54          3HZ       LYS  54  -0.574   5.754 -10.804
  565   2HZ   LYS  54          1HZ       LYS  54  -1.412   6.032  -9.338
  566   3HZ   LYS  54          2HZ       LYS  54  -1.435   4.489 -10.099
  567    QB   LYS  54           QB       LYS  54  -3.111   4.040 -12.985
  568    QG   LYS  54           QG       LYS  54  -3.618   6.297 -13.828
  569    QD   LYS  54           QD       LYS  54  -1.778   6.822 -12.528
  570    QE   LYS  54           QE       LYS  54  -3.240   5.901 -10.785
  571    QZ   LYS  54           QZ       LYS  54  -1.140   5.425 -10.081
  572    HA   PRO  55           HA       PRO  55  -2.136   2.144 -17.552
  573   1HB   PRO  55          2HB       PRO  55  -2.846   2.908 -20.142
  574   2HB   PRO  55          3HB       PRO  55  -3.871   1.960 -19.060
  575   1HG   PRO  55          2HG       PRO  55  -4.126   4.792 -19.871
  576   2HG   PRO  55          3HG       PRO  55  -5.344   3.730 -19.166
  577   1HD   PRO  55          2HD       PRO  55  -3.840   5.789 -17.824
  578   2HD   PRO  55          3HD       PRO  55  -4.997   4.653 -17.099
  579    QB   PRO  55           QB       PRO  55  -3.358   2.434 -19.601
  580    QG   PRO  55           QG       PRO  55  -4.735   4.261 -19.518
  581    QD   PRO  55           QD       PRO  55  -4.418   5.221 -17.461
  582    H    VAL  56           HN       VAL  56  -0.905   4.783 -17.008
  583    HA   VAL  56           HA       VAL  56   1.289   4.691 -19.008
  584    HB   VAL  56           HB       VAL  56  -0.183   6.671 -19.322
  585   1HG1  VAL  56          1HG1      VAL  56  -0.962   6.871 -16.971
  586   2HG1  VAL  56          2HG1      VAL  56   0.646   7.383 -16.482
  587   3HG1  VAL  56          3HG1      VAL  56  -0.307   8.399 -17.557
  588   1HG2  VAL  56          1HG2      VAL  56   2.247   6.882 -19.809
  589   2HG2  VAL  56          2HG2      VAL  56   1.560   8.406 -19.259
  590   3HG2  VAL  56          3HG2      VAL  56   2.523   7.428 -18.160
  591    QG1  VAL  56           QG1      VAL  56  -0.207   7.551 -17.003
  592    QG2  VAL  56           QG2      VAL  56   2.110   7.572 -19.076
  593    QQG  VAL  56           QQG      VAL  56   0.951   7.562 -18.040
  594    H    GLU  57           HN       GLU  57   0.477   4.478 -15.661
  595    HA   GLU  57           HA       GLU  57   3.106   5.490 -14.763
  596   1HB   GLU  57          2HB       GLU  57   2.327   4.933 -12.493
  597   2HB   GLU  57          3HB       GLU  57   1.110   5.873 -13.346
  598   1HG   GLU  57          2HG       GLU  57  -0.233   3.930 -13.755
  599   2HG   GLU  57          3HG       GLU  57   1.065   2.837 -13.324
  600    QB   GLU  57           QB       GLU  57   1.718   5.403 -12.920
  601    QG   GLU  57           QG       GLU  57   0.416   3.383 -13.539
  602    H    THR  58           HN       THR  58   4.236   4.094 -13.054
  603    HA   THR  58           HA       THR  58   4.424   1.257 -13.970
  604    HB   THR  58           HB       THR  58   6.964   1.551 -13.636
  605    HG1  THR  58          1HG       THR  58   7.012   4.157 -13.984
  606   1HG2  THR  58          3HG2      THR  58   5.912   1.748 -15.954
  607   2HG2  THR  58          1HG2      THR  58   5.702   3.474 -15.661
  608   3HG2  THR  58          2HG2      THR  58   7.321   2.784 -15.749
  609    QG2  THR  58           QG2      THR  58   6.312   2.669 -15.788
  610    H    VAL  59           HN       VAL  59   6.313   3.058 -11.613
  611    HA   VAL  59           HA       VAL  59   5.227   1.279  -9.470
  612    HB   VAL  59           HB       VAL  59   8.026   2.481  -9.607
  613   1HG1  VAL  59          3HG1      VAL  59   7.243   1.946  -7.308
  614   2HG1  VAL  59          1HG1      VAL  59   6.885   0.296  -7.822
  615   3HG1  VAL  59          2HG1      VAL  59   8.542   0.877  -7.811
  616   1HG2  VAL  59          1HG2      VAL  59   7.102  -0.341 -10.245
  617   2HG2  VAL  59          2HG2      VAL  59   7.710   0.830 -11.404
  618   3HG2  VAL  59          3HG2      VAL  59   8.780   0.186 -10.166
  619    QG1  VAL  59           QG1      VAL  59   7.557   1.040  -7.647
  620    QG2  VAL  59           QG2      VAL  59   7.864   0.225 -10.605
  621    QQG  VAL  59           QQG      VAL  59   7.711   0.632  -9.126
  622    HA   PRO  60           HA       PRO  60   5.001   1.046  -7.611
  623   1HB   PRO  60          2HB       PRO  60   3.856   1.544  -5.185
  624   2HB   PRO  60          3HB       PRO  60   5.602   1.453  -5.418
  625   1HG   PRO  60          2HG       PRO  60   3.883   3.857  -4.990
  626   2HG   PRO  60          3HG       PRO  60   5.593   3.624  -4.613
  627   1HD   PRO  60          2HD       PRO  60   4.543   5.016  -6.886
  628   2HD   PRO  60          3HD       PRO  60   6.236   4.570  -6.618
  629    QB   PRO  60           QB       PRO  60   4.729   1.498  -5.301
  630    QG   PRO  60           QG       PRO  60   4.738   3.740  -4.802
  631    QD   PRO  60           QD       PRO  60   5.389   4.793  -6.752
  632    H    GLN  61           HN       GLN  61   3.020  -0.052  -7.019
  633    HA   GLN  61           HA       GLN  61   0.538   1.487  -7.615
  634   1HB   GLN  61          2HB       GLN  61   1.299  -1.225  -8.794
  635   2HB   GLN  61          3HB       GLN  61  -0.258  -0.429  -9.007
  636   1HG   GLN  61          2HG       GLN  61   0.949   1.557 -10.009
  637   2HG   GLN  61          3HG       GLN  61   2.451   0.657  -9.875
  638   1HE2  GLN  61          2HE2      GLN  61   0.495   0.194 -13.229
  639   2HE2  GLN  61          1HE2      GLN  61   0.346   1.534 -12.188
  640    QB   GLN  61           QB       GLN  61   0.520  -0.827  -8.901
  641    QG   GLN  61           QG       GLN  61   1.700   1.107  -9.942
  642    QE2  GLN  61           QE2      GLN  61   0.421   0.864 -12.708
  643    H    ILE  62           HN       ILE  62  -0.705   1.326  -5.911
  644    HA   ILE  62           HA       ILE  62  -0.425  -1.014  -4.095
  645    HB   ILE  62           HB       ILE  62  -1.303   1.827  -3.449
  646   1HG1  ILE  62          2HG1      ILE  62   0.819   1.664  -1.949
  647   2HG1  ILE  62          3HG1      ILE  62   1.278   0.320  -2.986
  648   1HG2  ILE  62          2HG2      ILE  62  -0.921  -0.614  -1.690
  649   2HG2  ILE  62          3HG2      ILE  62  -1.224   1.008  -1.092
  650   3HG2  ILE  62          1HG2      ILE  62  -2.450   0.185  -2.044
  651   1HD1  ILE  62          1HD1      ILE  62   0.555   3.068  -4.046
  652   2HD1  ILE  62          2HD1      ILE  62   2.204   2.545  -3.719
  653   3HD1  ILE  62          3HD1      ILE  62   1.267   1.733  -4.945
  654    QG1  ILE  62           QG1      ILE  62   1.049   0.992  -2.468
  655    QG2  ILE  62           QG2      ILE  62  -1.532   0.193  -1.608
  656    QD1  ILE  62           QD1      ILE  62   1.342   2.449  -4.237
  657    H    PHE  63           HN       PHE  63  -2.153  -1.943  -3.400
  658    HA   PHE  63           HA       PHE  63  -4.773  -1.234  -4.672
  659   1HB   PHE  63          2HB       PHE  63  -3.542  -3.976  -4.163
  660   2HB   PHE  63          3HB       PHE  63  -5.202  -3.734  -4.689
  661    HD1  PHE  63          2HD       PHE  63  -1.771  -2.499  -5.744
  662    HD2  PHE  63          1HD       PHE  63  -5.552  -4.048  -6.954
  663    HE1  PHE  63          2HE       PHE  63  -1.072  -2.373  -8.080
  664    HE2  PHE  63          1HE       PHE  63  -4.861  -3.865  -9.312
  665    HZ   PHE  63           HZ       PHE  63  -2.642  -2.992  -9.869
  666    QB   PHE  63           QB       PHE  63  -4.372  -3.855  -4.426
  667    QR   PHE  63           QR       PHE  63  -3.314  -3.196  -7.522
  668    H    VAL  64           HN       VAL  64  -6.528  -1.229  -3.320
  669    HA   VAL  64           HA       VAL  64  -5.964  -2.002  -0.476
  670    HB   VAL  64           HB       VAL  64  -7.848   0.167  -1.466
  671   1HG1  VAL  64          3HG1      VAL  64  -7.127  -0.752   1.338
  672   2HG1  VAL  64          1HG1      VAL  64  -8.113   0.662   0.957
  673   3HG1  VAL  64          2HG1      VAL  64  -8.696  -0.947   0.556
  674   1HG2  VAL  64          2HG2      VAL  64  -5.407   0.763  -1.566
  675   2HG2  VAL  64          3HG2      VAL  64  -6.278   1.707  -0.362
  676   3HG2  VAL  64          1HG2      VAL  64  -5.267   0.353   0.147
  677    QG1  VAL  64           QG1      VAL  64  -7.979  -0.346   0.950
  678    QG2  VAL  64           QG2      VAL  64  -5.650   0.941  -0.594
  679    QQG  VAL  64           QQG      VAL  64  -6.814   0.298   0.178
  680    H    ASP  65           HN       ASP  65  -7.159  -3.412   0.357
  681    HA   ASP  65           HA       ASP  65  -8.626  -5.142   0.608
  682   1HB   ASP  65          2HB       ASP  65 -10.527  -3.015  -0.416
  683   2HB   ASP  65          3HB       ASP  65 -11.029  -4.491   0.400
  684    QB   ASP  65           QB       ASP  65 -10.778  -3.753  -0.008
  685    H    GLN  66           HN       GLN  66  -9.929  -3.774  -2.430
  686    HA   GLN  66           HA       GLN  66  -9.440  -6.456  -3.616
  687   1HB   GLN  66          2HB       GLN  66 -11.989  -4.843  -3.817
  688   2HB   GLN  66          3HB       GLN  66 -11.643  -6.236  -4.833
  689   1HG   GLN  66          2HG       GLN  66 -11.323  -7.604  -2.735
  690   2HG   GLN  66          3HG       GLN  66 -11.850  -6.207  -1.797
  691   1HE2  GLN  66          1HE2      GLN  66 -15.221  -7.078  -2.246
  692   2HE2  GLN  66          2HE2      GLN  66 -14.023  -6.376  -1.268
  693    QB   GLN  66           QB       GLN  66 -11.816  -5.540  -4.325
  694    QG   GLN  66           QG       GLN  66 -11.587  -6.905  -2.266
  695    QE2  GLN  66           QE2      GLN  66 -14.622  -6.727  -1.757
  696    H    GLN  67           HN       GLN  67  -9.674  -3.003  -4.352
  697    HA   GLN  67           HA       GLN  67  -8.813  -3.662  -7.117
  698   1HB   GLN  67          2HB       GLN  67  -9.855  -1.494  -7.708
  699   2HB   GLN  67          3HB       GLN  67 -11.021  -2.616  -7.057
  700   1HG   GLN  67          2HG       GLN  67  -9.642  -0.758  -5.144
  701   2HG   GLN  67          3HG       GLN  67 -10.865  -0.072  -6.206
  702   1HE2  GLN  67          2HE2      GLN  67 -12.065  -2.235  -3.046
  703   2HE2  GLN  67          1HE2      GLN  67 -10.435  -1.819  -3.256
  704    QB   GLN  67           QB       GLN  67 -10.438  -2.055  -7.382
  705    QG   GLN  67           QG       GLN  67 -10.253  -0.415  -5.675
  706    QE2  GLN  67           QE2      GLN  67 -11.250  -2.027  -3.151
  707    H    HIS  68           HN       HIS  68  -7.706  -1.834  -8.204
  708    HA   HIS  68           HA       HIS  68  -5.322  -1.060  -6.708
  709   1HB   HIS  68          2HB       HIS  68  -5.145  -1.449  -9.111
  710   2HB   HIS  68          3HB       HIS  68  -6.389  -0.275  -9.445
  711    HD1  HIS  68           HD1      HIS  68  -5.149   1.482 -10.631
  712    HD2  HIS  68           HD2      HIS  68  -3.029   0.311  -7.305
  713    HE1  HIS  68           HE1      HIS  68  -3.216   3.074 -10.406
  714    QB   HIS  68           QB       HIS  68  -5.767  -0.862  -9.278
  715    H    ILE  69           HN       ILE  69  -4.882   1.100  -5.998
  716    HA   ILE  69           HA       ILE  69  -7.268   2.922  -6.081
  717    HB   ILE  69           HB       ILE  69  -5.282   2.613  -3.804
  718   1HG1  ILE  69          2HG1      ILE  69  -6.739   0.627  -4.019
  719   2HG1  ILE  69          3HG1      ILE  69  -7.124   1.557  -2.586
  720   1HG2  ILE  69          1HG2      ILE  69  -7.864   4.196  -4.029
  721   2HG2  ILE  69          2HG2      ILE  69  -6.921   3.999  -2.556
  722   3HG2  ILE  69          3HG2      ILE  69  -6.246   4.865  -3.930
  723   1HD1  ILE  69          1HD1      ILE  69  -9.051   2.591  -3.740
  724   2HD1  ILE  69          2HD1      ILE  69  -8.678   1.673  -5.188
  725   3HD1  ILE  69          3HD1      ILE  69  -9.184   0.845  -3.733
  726    QG1  ILE  69           QG1      ILE  69  -6.932   1.092  -3.302
  727    QG2  ILE  69           QG2      ILE  69  -7.010   4.353  -3.505
  728    QD1  ILE  69           QD1      ILE  69  -8.971   1.703  -4.220
  729    H    GLY  70           HN       GLY  70  -3.820   2.557  -6.208
  730   1HA   GLY  70          1HA       GLY  70  -3.240   4.464  -8.091
  731   2HA   GLY  70          2HA       GLY  70  -3.321   5.400  -6.619
  732    QA   GLY  70           QA       GLY  70  -3.281   4.932  -7.355
  733    H    GLY  71           HN       GLY  71  -1.022   5.755  -7.339
  734   1HA   GLY  71          1HA       GLY  71   0.802   3.553  -6.488
  735   2HA   GLY  71          2HA       GLY  71   1.278   4.881  -7.551
  736    QA   GLY  71           QA       GLY  71   1.040   4.217  -7.019
  737    OH   TYR  72           OH       TYR  72   5.522   9.238   0.953
  738    H    TYR  72           HN       TYR  72   2.961   5.646  -6.070
  739    HA   TYR  72           HA       TYR  72   2.140   6.261  -3.307
  740   1HB   TYR  72          2HB       TYR  72   4.500   5.580  -3.859
  741   2HB   TYR  72          3HB       TYR  72   4.694   7.090  -4.742
  742    HD1  TYR  72           HD2      TYR  72   3.088   6.264  -1.438
  743    HD2  TYR  72           HD1      TYR  72   6.023   8.545  -3.503
  744    HE1  TYR  72           HE2      TYR  72   3.701   7.373   0.662
  745    HE2  TYR  72           HE1      TYR  72   6.578   9.717  -1.426
  746    HH   TYR  72           HH       TYR  72   4.905   9.975   1.082
  747    QB   TYR  72           QB       TYR  72   4.597   6.335  -4.300
  748    QR   TYR  72           QR       TYR  72   4.847   7.975  -1.426
  749    H    THR  73           HN       THR  73   0.479   7.449  -5.124
  750    HA   THR  73           HA       THR  73   0.821  10.312  -4.485
  751    HB   THR  73           HB       THR  73   0.017  10.820  -6.933
  752    HG1  THR  73          1HG       THR  73  -0.366   9.005  -8.029
  753   1HG2  THR  73          2HG2      THR  73   2.461  11.056  -6.254
  754   2HG2  THR  73          3HG2      THR  73   2.696   9.370  -6.697
  755   3HG2  THR  73          1HG2      THR  73   2.250  10.547  -7.925
  756    QG2  THR  73           QG2      THR  73   2.469  10.325  -6.959
  757    H    ASP  74           HN       ASP  74  -1.308   8.370  -6.507
  758    HA   ASP  74           HA       ASP  74  -3.690   9.672  -5.457
  759   1HB   ASP  74          2HB       ASP  74  -4.302   7.166  -6.798
  760   2HB   ASP  74          3HB       ASP  74  -4.673   8.806  -7.302
  761    QB   ASP  74           QB       ASP  74  -4.488   7.986  -7.050
  762    H    PHE  75           HN       PHE  75  -2.445   6.295  -5.242
  763    HA   PHE  75           HA       PHE  75  -4.338   5.416  -3.293
  764   1HB   PHE  75          2HB       PHE  75  -2.873   3.702  -4.092
  765   2HB   PHE  75          3HB       PHE  75  -1.433   4.638  -3.713
  766    HD1  PHE  75          2HD       PHE  75  -4.444   3.198  -2.002
  767    HD2  PHE  75          1HD       PHE  75  -0.305   4.140  -1.698
  768    HE1  PHE  75          2HE       PHE  75  -4.382   2.256   0.259
  769    HE2  PHE  75          1HE       PHE  75  -0.256   3.158   0.553
  770    HZ   PHE  75           HZ       PHE  75  -2.301   2.201   1.527
  771    QB   PHE  75           QB       PHE  75  -2.153   4.170  -3.902
  772    QR   PHE  75           QR       PHE  75  -2.347   3.188  -0.722
  773    H    ALA  76           HN       ALA  76  -1.094   6.723  -2.838
  774    HA   ALA  76           HA       ALA  76  -0.950   7.222  -0.143
  775   1HB   ALA  76          1HB       ALA  76   0.788   7.954  -1.784
  776   2HB   ALA  76          2HB       ALA  76  -0.263   9.260  -2.314
  777   3HB   ALA  76          3HB       ALA  76   0.386   9.266  -0.681
  778    QB   ALA  76           QB       ALA  76   0.304   8.827  -1.593
  779    H    ALA  77           HN       ALA  77  -2.560   9.480  -2.417
  780    HA   ALA  77           HA       ALA  77  -3.650  11.164  -0.363
  781   1HB   ALA  77          3HB       ALA  77  -3.552  11.839  -2.750
  782   2HB   ALA  77          1HB       ALA  77  -4.749  10.613  -3.150
  783   3HB   ALA  77          2HB       ALA  77  -5.193  11.979  -2.122
  784    QB   ALA  77           QB       ALA  77  -4.498  11.477  -2.674
  785    CH2  TRP  78           CH2      TRP  78  -8.037   2.956   1.939
  786    H    TRP  78           HN       TRP  78  -5.335   8.610  -2.273
  787    HA   TRP  78           HA       TRP  78  -7.808   8.622  -0.993
  788   1HB   TRP  78          2HB       TRP  78  -7.450   6.973  -2.706
  789   2HB   TRP  78          3HB       TRP  78  -6.166   6.220  -1.803
  790    HD1  TRP  78           HD1      TRP  78 -10.038   6.405  -1.893
  791    HE1  TRP  78           HE1      TRP  78 -11.026   4.858  -0.190
  792    HE3  TRP  78           HE3      TRP  78  -5.776   4.703   0.093
  793    HZ2  TRP  78           HZ2      TRP  78 -10.161   2.999   1.688
  794    HZ3  TRP  78           HZ3      TRP  78  -5.907   3.094   1.976
  795    HH2  TRP  78           HH2      TRP  78  -8.071   2.225   2.735
  796    QB   TRP  78           QB       TRP  78  -6.808   6.596  -2.254
  797    H    VAL  79           HN       VAL  79  -4.898   6.935   0.099
  798    HA   VAL  79           HA       VAL  79  -5.768   5.782   2.479
  799    HB   VAL  79           HB       VAL  79  -3.188   7.316   1.960
  800   1HG1  VAL  79          1HG1      VAL  79  -3.622   7.053   4.389
  801   2HG1  VAL  79          2HG1      VAL  79  -3.841   5.324   4.139
  802   3HG1  VAL  79          3HG1      VAL  79  -2.270   6.063   3.858
  803   1HG2  VAL  79          2HG2      VAL  79  -3.570   5.329   0.496
  804   2HG2  VAL  79          3HG2      VAL  79  -2.229   5.077   1.602
  805   3HG2  VAL  79          1HG2      VAL  79  -3.794   4.341   1.931
  806    QG1  VAL  79           QG1      VAL  79  -3.244   6.147   4.129
  807    QG2  VAL  79           QG2      VAL  79  -3.197   4.916   1.343
  808    QQG  VAL  79           QQG      VAL  79  -3.221   5.531   2.736
  809    H    LYS  80           HN       LYS  80  -4.486   9.045   2.118
  810    HA   LYS  80           HA       LYS  80  -5.011   9.990   4.708
  811   1HB   LYS  80          2HB       LYS  80  -3.963  11.039   2.410
  812   2HB   LYS  80          3HB       LYS  80  -5.468  11.925   2.482
  813   1HG   LYS  80          2HG       LYS  80  -3.398  11.722   4.710
  814   2HG   LYS  80          3HG       LYS  80  -3.616  13.107   3.659
  815   1HD   LYS  80          2HD       LYS  80  -5.722  12.052   5.566
  816   2HD   LYS  80          3HD       LYS  80  -4.680  13.418   5.892
  817   1HE   LYS  80          2HE       LYS  80  -6.294  14.695   4.964
  818   2HE   LYS  80          3HE       LYS  80  -5.749  14.074   3.416
  819   1HZ   LYS  80          3HZ       LYS  80  -7.499  12.205   4.597
  820   2HZ   LYS  80          1HZ       LYS  80  -8.229  13.718   4.654
  821   3HZ   LYS  80          2HZ       LYS  80  -7.683  13.106   3.153
  822    QB   LYS  80           QB       LYS  80  -4.716  11.482   2.446
  823    QG   LYS  80           QG       LYS  80  -3.507  12.414   4.184
  824    QD   LYS  80           QD       LYS  80  -5.201  12.735   5.729
  825    QE   LYS  80           QE       LYS  80  -6.022  14.385   4.190
  826    QZ   LYS  80           QZ       LYS  80  -7.804  13.009   4.135
  827    H    GLU  81           HN       GLU  81  -7.088  10.559   1.871
  828    HA   GLU  81           HA       GLU  81  -9.226  11.735   3.336
  829   1HB   GLU  81          2HB       GLU  81  -8.978  10.487   0.618
  830   2HB   GLU  81          3HB       GLU  81 -10.578  10.886   1.214
  831   1HG   GLU  81          2HG       GLU  81  -9.614  12.745  -0.119
  832   2HG   GLU  81          3HG       GLU  81  -9.924  13.235   1.537
  833    QB   GLU  81           QB       GLU  81  -9.778  10.686   0.916
  834    QG   GLU  81           QG       GLU  81  -9.769  12.990   0.709
  835    H    ASN  82           HN       ASN  82  -8.790   8.249   2.709
  836    HA   ASN  82           HA       ASN  82 -11.468   7.902   4.017
  837   1HB   ASN  82          2HB       ASN  82  -9.647   5.857   2.630
  838   2HB   ASN  82          3HB       ASN  82 -11.180   5.448   3.384
  839   1HD2  ASN  82          2HD2      ASN  82 -11.686   7.972   0.218
  840   2HD2  ASN  82          1HD2      ASN  82 -10.608   8.403   1.456
  841    QB   ASN  82           QB       ASN  82 -10.414   5.652   3.007
  842    QD2  ASN  82           QD2      ASN  82 -11.147   8.188   0.837
  843    H    LEU  83           HN       LEU  83  -8.131   7.431   4.802
  844    HA   LEU  83           HA       LEU  83  -8.973   5.783   7.078
  845   1HB   LEU  83          2HB       LEU  83  -6.276   7.087   6.556
  846   2HB   LEU  83          3HB       LEU  83  -6.621   5.866   7.769
  847    HG   LEU  83           HG       LEU  83  -6.574   5.535   4.754
  848   1HD1  LEU  83          2HD1      LEU  83  -4.508   5.249   6.083
  849   2HD1  LEU  83          3HD1      LEU  83  -5.304   4.011   7.044
  850   3HD1  LEU  83          1HD1      LEU  83  -5.018   3.739   5.326
  851   1HD2  LEU  83          2HD2      LEU  83  -7.725   3.573   6.765
  852   2HD2  LEU  83          3HD2      LEU  83  -8.651   4.444   5.550
  853   3HD2  LEU  83          1HD2      LEU  83  -7.456   3.259   5.055
  854    QB   LEU  83           QB       LEU  83  -6.448   6.477   7.162
  855    QD1  LEU  83           QD1      LEU  83  -4.943   4.333   6.151
  856    QD2  LEU  83           QD2      LEU  83  -7.944   3.759   5.790
  857    QQD  LEU  83           QQD      LEU  83  -6.444   4.046   5.971
  858    H    ASP  84           HN       ASP  84  -7.665   9.069   6.515
  859    HA   ASP  84           HA       ASP  84  -7.484  10.764   8.264
  860   1HB   ASP  84          2HB       ASP  84  -9.999  10.511   6.725
  861   2HB   ASP  84          3HB       ASP  84 -10.128  11.546   8.136
  862    QB   ASP  84           QB       ASP  84 -10.064  11.028   7.430
  863    H    ALA  85           HN       ALA  85 -10.632   9.420   8.664
  864    HA   ALA  85           HA       ALA  85 -11.225  10.252  11.291
  865   1HB   ALA  85          1HB       ALA  85 -11.987   7.608  10.012
  866   2HB   ALA  85          2HB       ALA  85 -12.769   8.310  11.424
  867   3HB   ALA  85          3HB       ALA  85 -12.874   9.123   9.866
  868    QB   ALA  85           QB       ALA  85 -12.543   8.347  10.434
   
  Start of MODEL           3
 Raw file had 868 H/Q atoms
  Start of MODEL    3
    1    H    MET   1           HN       MET   1  -8.433  -2.872   8.499
    2    HA   MET   1           HA       MET   1  -8.995  -3.602   5.852
    3   1HB   MET   1          2HB       MET   1  -8.710  -1.245   6.911
    4   2HB   MET   1          3HB       MET   1  -6.989  -1.464   6.667
    5   1HG   MET   1          2HG       MET   1  -7.784  -0.264   4.778
    6   2HG   MET   1          3HG       MET   1  -7.462  -1.884   4.228
    7   1HE   MET   1          2HE       MET   1  -9.730   1.006   4.424
    8   2HE   MET   1          3HE       MET   1 -11.375   0.393   4.349
    9   3HE   MET   1          1HE       MET   1 -10.432   0.185   5.822
   10    QB   MET   1           QB       MET   1  -7.850  -1.355   6.789
   11    QG   MET   1           QG       MET   1  -7.623  -1.074   4.503
   12    QE   MET   1           QE       MET   1 -10.513   0.528   4.865
   13    H    GLN   2           HN       GLN   2  -7.497  -3.917   4.034
   14    HA   GLN   2           HA       GLN   2  -4.817  -4.950   4.820
   15   1HB   GLN   2          2HB       GLN   2  -6.914  -6.241   3.065
   16   2HB   GLN   2          3HB       GLN   2  -5.221  -6.675   2.946
   17   1HG   GLN   2          2HG       GLN   2  -6.230  -8.262   4.443
   18   2HG   GLN   2          3HG       GLN   2  -5.255  -7.188   5.431
   19   1HE2  GLN   2          2HE2      GLN   2  -9.197  -6.163   5.662
   20   2HE2  GLN   2          1HE2      GLN   2  -8.402  -6.074   4.167
   21    QB   GLN   2           QB       GLN   2  -6.068  -6.458   3.005
   22    QG   GLN   2           QG       GLN   2  -5.743  -7.725   4.937
   23    QE2  GLN   2           QE2      GLN   2  -8.799  -6.119   4.914
   24    H    THR   3           HN       THR   3  -3.201  -4.111   3.503
   25    HA   THR   3           HA       THR   3  -4.056  -2.913   0.879
   26    HB   THR   3           HB       THR   3  -1.698  -2.020   2.603
   27    HG1  THR   3          1HG       THR   3  -3.240  -1.075   3.676
   28   1HG2  THR   3          2HG2      THR   3  -3.226  -0.665   0.324
   29   2HG2  THR   3          3HG2      THR   3  -1.854   0.012   1.190
   30   3HG2  THR   3          1HG2      THR   3  -1.630  -1.380   0.139
   31    QG2  THR   3           QG2      THR   3  -2.237  -0.678   0.551
   32    H    VAL   4           HN       VAL   4  -2.858  -3.357  -0.945
   33    HA   VAL   4           HA       VAL   4  -0.520  -5.245  -0.642
   34    HB   VAL   4           HB       VAL   4  -2.551  -5.077  -2.908
   35   1HG1  VAL   4          3HG1      VAL   4  -0.193  -6.955  -2.456
   36   2HG1  VAL   4          1HG1      VAL   4  -1.362  -7.089  -3.763
   37   3HG1  VAL   4          2HG1      VAL   4  -0.281  -5.702  -3.693
   38   1HG2  VAL   4          3HG2      VAL   4  -2.075  -7.223  -0.801
   39   2HG2  VAL   4          1HG2      VAL   4  -3.466  -6.146  -0.865
   40   3HG2  VAL   4          2HG2      VAL   4  -3.223  -7.341  -2.133
   41    QG1  VAL   4           QG1      VAL   4  -0.612  -6.582  -3.304
   42    QG2  VAL   4           QG2      VAL   4  -2.922  -6.903  -1.266
   43    QQG  VAL   4           QQG      VAL   4  -1.767  -6.743  -2.285
   44    H    ILE   5           HN       ILE   5   1.318  -4.487  -1.342
   45    HA   ILE   5           HA       ILE   5   1.345  -2.167  -3.240
   46    HB   ILE   5           HB       ILE   5   3.520  -2.954  -1.272
   47   1HG1  ILE   5          2HG1      ILE   5   1.477  -2.487   0.024
   48   2HG1  ILE   5          3HG1      ILE   5   2.659  -1.212   0.256
   49   1HG2  ILE   5          1HG2      ILE   5   2.925  -0.377  -2.774
   50   2HG2  ILE   5          2HG2      ILE   5   4.197  -0.560  -1.572
   51   3HG2  ILE   5          3HG2      ILE   5   4.263  -1.477  -3.074
   52   1HD1  ILE   5          3HD1      ILE   5   0.308  -1.073  -1.658
   53   2HD1  ILE   5          1HD1      ILE   5   0.396  -0.277  -0.092
   54   3HD1  ILE   5          2HD1      ILE   5   1.487   0.202  -1.379
   55    QG1  ILE   5           QG1      ILE   5   2.068  -1.850   0.140
   56    QG2  ILE   5           QG2      ILE   5   3.795  -0.805  -2.473
   57    QD1  ILE   5           QD1      ILE   5   0.730  -0.383  -1.043
   58    H    PHE   6           HN       PHE   6   1.805  -2.984  -5.192
   59    HA   PHE   6           HA       PHE   6   3.560  -5.336  -5.534
   60   1HB   PHE   6          2HB       PHE   6   2.159  -3.529  -7.550
   61   2HB   PHE   6          3HB       PHE   6   3.032  -4.986  -7.966
   62    HD1  PHE   6          1HD       PHE   6   2.137  -7.210  -7.284
   63    HD2  PHE   6          2HD       PHE   6  -0.084  -3.640  -6.623
   64    HE1  PHE   6          1HE       PHE   6   0.077  -8.528  -7.099
   65    HE2  PHE   6          2HE       PHE   6  -2.154  -4.960  -6.465
   66    HZ   PHE   6           HZ       PHE   6  -2.072  -7.409  -6.672
   67    QB   PHE   6           QB       PHE   6   2.596  -4.258  -7.758
   68    QR   PHE   6           QR       PHE   6  -0.006  -6.084  -6.868
   69    H    GLY   7           HN       GLY   7   5.698  -4.700  -5.122
   70   1HA   GLY   7          1HA       GLY   7   6.725  -2.332  -6.664
   71   2HA   GLY   7          2HA       GLY   7   7.332  -2.761  -5.070
   72    QA   GLY   7           QA       GLY   7   7.029  -2.546  -5.867
   73    NH1  ARG   8           NH1      ARG   8  15.097  -1.269  -9.476
   74    NH2  ARG   8           NH2      ARG   8  14.413  -1.753 -11.591
   75    H    ARG   8           HN       ARG   8   9.469  -2.814  -6.374
   76    HA   ARG   8           HA       ARG   8   9.695  -5.542  -7.600
   77   1HB   ARG   8          2HB       ARG   8  11.601  -4.634  -8.984
   78   2HB   ARG   8          3HB       ARG   8  10.018  -3.995  -9.388
   79   1HG   ARG   8          2HG       ARG   8  10.480  -1.951  -8.120
   80   2HG   ARG   8          3HG       ARG   8  12.037  -2.595  -7.600
   81   1HD   ARG   8          2HD       ARG   8  11.350  -2.337 -10.539
   82   2HD   ARG   8          3HD       ARG   8  12.001  -0.971  -9.637
   83    HE   ARG   8           HE       ARG   8  13.518  -3.548  -9.589
   84   1HH1  ARG   8          2HH1      ARG   8  14.984  -1.404  -8.491
   85   2HH1  ARG   8          1HH1      ARG   8  15.826  -0.669  -9.811
   86   1HH2  ARG   8          2HH2      ARG   8  13.784  -2.242 -12.195
   87   2HH2  ARG   8          1HH2      ARG   8  15.127  -1.177 -11.985
   88    QB   ARG   8           QB       ARG   8  10.810  -4.315  -9.186
   89    QG   ARG   8           QG       ARG   8  11.259  -2.273  -7.860
   90    QD   ARG   8           QD       ARG   8  11.675  -1.654 -10.088
   91    QH1  ARG   8           QH1      ARG   8  15.405  -1.036  -9.151
   92    QH2  ARG   8           QH2      ARG   8  14.456  -1.709 -12.090
   93    H    SER   9           HN       SER   9   9.992  -4.988  -4.892
   94    HA   SER   9           HA       SER   9  11.230  -6.010  -3.196
   95   1HB   SER   9          2HB       SER   9  13.442  -6.346  -5.246
   96   2HB   SER   9          3HB       SER   9  13.447  -7.004  -3.606
   97    HG   SER   9           HG       SER   9  11.107  -7.661  -4.470
   98    QB   SER   9           QB       SER   9  13.444  -6.675  -4.426
   99    H    GLY  10           HN       GLY  10  11.053  -3.326  -2.975
  100   1HA   GLY  10          1HA       GLY  10  12.119  -1.745  -1.562
  101   2HA   GLY  10          2HA       GLY  10  13.551  -2.754  -1.563
  102    QA   GLY  10           QA       GLY  10  12.835  -2.249  -1.563
  103    H    CYS  11           HN       CYS  11  11.750  -0.626  -3.791
  104    HA   CYS  11           HA       CYS  11  14.413   0.246  -4.865
  105   1HB   CYS  11          2HB       CYS  11  12.419   1.192  -6.564
  106   2HB   CYS  11          3HB       CYS  11  13.440  -0.198  -6.838
  107    QB   CYS  11           QB       CYS  11  12.929   0.497  -6.701
  108    HA   PRO  12           HA       PRO  12  13.622   4.651  -3.773
  109   1HB   PRO  12          2HB       PRO  12  14.035   4.839  -6.749
  110   2HB   PRO  12          3HB       PRO  12  14.671   5.884  -5.468
  111   1HG   PRO  12          2HG       PRO  12  16.220   3.983  -6.653
  112   2HG   PRO  12          3HG       PRO  12  16.410   4.390  -4.942
  113   1HD   PRO  12          2HD       PRO  12  15.222   1.941  -6.169
  114   2HD   PRO  12          3HD       PRO  12  15.912   2.154  -4.544
  115    QB   PRO  12           QB       PRO  12  14.353   5.361  -6.109
  116    QG   PRO  12           QG       PRO  12  16.315   4.187  -5.797
  117    QD   PRO  12           QD       PRO  12  15.567   2.047  -5.357
  118    OH   TYR  13           OH       TYR  13   5.184   8.443  -8.323
  119    H    TYR  13           HN       TYR  13  11.737   5.866  -3.964
  120    HA   TYR  13           HA       TYR  13   9.529   6.420  -4.603
  121   1HB   TYR  13          2HB       TYR  13  10.507   5.687  -7.004
  122   2HB   TYR  13          3HB       TYR  13   9.446   4.313  -6.750
  123    HD1  TYR  13           HD1      TYR  13   7.031   5.366  -5.530
  124    HD2  TYR  13           HD2      TYR  13   9.529   7.207  -8.450
  125    HE1  TYR  13           HE1      TYR  13   5.120   6.658  -6.361
  126    HE2  TYR  13           HE2      TYR  13   7.632   8.538  -9.231
  127    HH   TYR  13           HH       TYR  13   4.360   8.055  -8.009
  128    QB   TYR  13           QB       TYR  13   9.977   5.000  -6.877
  129    QR   TYR  13           QR       TYR  13   7.328   6.942  -7.393
  130    H    CYS  14           HN       CYS  14  10.140   2.958  -5.188
  131    HA   CYS  14           HA       CYS  14   7.704   1.944  -4.228
  132   1HB   CYS  14          2HB       CYS  14  10.370   0.600  -3.880
  133   2HB   CYS  14          3HB       CYS  14   8.817  -0.173  -4.005
  134    QB   CYS  14           QB       CYS  14   9.594   0.213  -3.942
  135    H    VAL  15           HN       VAL  15  10.746   2.456  -2.444
  136    HA   VAL  15           HA       VAL  15   9.924   1.568   0.082
  137    HB   VAL  15           HB       VAL  15  11.555   4.082  -0.489
  138   1HG1  VAL  15          3HG1      VAL  15  10.646   4.005   1.844
  139   2HG1  VAL  15          1HG1      VAL  15  11.318   2.388   2.037
  140   3HG1  VAL  15          2HG1      VAL  15  12.390   3.767   1.822
  141   1HG2  VAL  15          3HG2      VAL  15  12.355   1.217   0.140
  142   2HG2  VAL  15          1HG2      VAL  15  12.514   1.989  -1.426
  143   3HG2  VAL  15          2HG2      VAL  15  13.480   2.559  -0.075
  144    QG1  VAL  15           QG1      VAL  15  11.451   3.386   1.901
  145    QG2  VAL  15           QG2      VAL  15  12.783   1.922  -0.454
  146    QQG  VAL  15           QQG      VAL  15  12.117   2.654   0.723
  147    NH1  ARG  16           NH1      ARG  16  11.359   7.771   2.284
  148    NH2  ARG  16           NH2      ARG  16   9.768   7.523   3.901
  149    H    ARG  16           HN       ARG  16   9.187   4.599  -1.560
  150    HA   ARG  16           HA       ARG  16   7.654   5.683   0.669
  151   1HB   ARG  16          2HB       ARG  16   7.929   6.558  -2.201
  152   2HB   ARG  16          3HB       ARG  16   6.833   7.340  -1.074
  153   1HG   ARG  16          2HG       ARG  16   9.840   7.056  -0.668
  154   2HG   ARG  16          3HG       ARG  16   9.030   8.523  -1.197
  155   1HD   ARG  16          2HD       ARG  16   9.049   9.000   1.059
  156   2HD   ARG  16          3HD       ARG  16   7.588   8.012   1.063
  157    HE   ARG  16           HE       ARG  16   9.076   6.063   1.723
  158   1HH1  ARG  16          2HH1      ARG  16  11.605   7.697   1.321
  159   2HH1  ARG  16          1HH1      ARG  16  12.034   8.102   2.945
  160   1HH2  ARG  16          2HH2      ARG  16   8.816   7.295   4.131
  161   2HH2  ARG  16          1HH2      ARG  16  10.393   7.818   4.623
  162    QB   ARG  16           QB       ARG  16   7.381   6.949  -1.638
  163    QG   ARG  16           QG       ARG  16   9.435   7.790  -0.933
  164    QD   ARG  16           QD       ARG  16   8.319   8.506   1.061
  165    QH1  ARG  16           QH1      ARG  16  11.820   7.899   2.133
  166    QH2  ARG  16           QH2      ARG  16   9.605   7.556   4.377
  167    H    ALA  17           HN       ALA  17   6.430   4.000   1.061
  168    HA   ALA  17           HA       ALA  17   3.769   3.930   0.231
  169   1HB   ALA  17          3HB       ALA  17   5.386   1.693  -1.088
  170   2HB   ALA  17          1HB       ALA  17   3.630   1.819  -1.080
  171   3HB   ALA  17          2HB       ALA  17   4.589   3.007  -1.949
  172    QB   ALA  17           QB       ALA  17   4.535   2.173  -1.372
  173    H    LYS  18           HN       LYS  18   6.451   1.736   0.954
  174    HA   LYS  18           HA       LYS  18   4.969   0.141   2.834
  175   1HB   LYS  18          2HB       LYS  18   7.006  -0.638   1.581
  176   2HB   LYS  18          3HB       LYS  18   7.974   0.530   2.457
  177   1HG   LYS  18          2HG       LYS  18   6.308  -1.503   3.958
  178   2HG   LYS  18          3HG       LYS  18   7.896  -1.930   3.331
  179   1HD   LYS  18          2HD       LYS  18   8.748   0.204   4.500
  180   2HD   LYS  18          3HD       LYS  18   7.210   0.224   5.335
  181   1HE   LYS  18          2HE       LYS  18   9.097  -2.162   5.328
  182   2HE   LYS  18          3HE       LYS  18   9.119  -0.923   6.570
  183   1HZ   LYS  18          3HZ       LYS  18   6.478  -1.759   6.411
  184   2HZ   LYS  18          1HZ       LYS  18   7.407  -3.175   6.373
  185   3HZ   LYS  18          2HZ       LYS  18   7.591  -2.058   7.642
  186    QB   LYS  18           QB       LYS  18   7.490  -0.054   2.019
  187    QG   LYS  18           QG       LYS  18   7.102  -1.717   3.645
  188    QD   LYS  18           QD       LYS  18   7.979   0.214   4.917
  189    QE   LYS  18           QE       LYS  18   9.108  -1.543   5.949
  190    QZ   LYS  18           QZ       LYS  18   7.159  -2.331   6.808
  191    H    ASP  19           HN       ASP  19   7.321   2.808   3.032
  192    HA   ASP  19           HA       ASP  19   7.466   3.031   5.867
  193   1HB   ASP  19          2HB       ASP  19   8.286   5.263   5.471
  194   2HB   ASP  19          3HB       ASP  19   8.867   4.287   4.127
  195    QB   ASP  19           QB       ASP  19   8.577   4.775   4.799
  196    H    LEU  20           HN       LEU  20   5.181   4.331   3.504
  197    HA   LEU  20           HA       LEU  20   3.673   5.795   5.463
  198   1HB   LEU  20          2HB       LEU  20   3.504   6.175   2.977
  199   2HB   LEU  20          3HB       LEU  20   2.630   4.657   2.841
  200    HG   LEU  20           HG       LEU  20   0.826   5.518   4.251
  201   1HD1  LEU  20          3HD1      LEU  20   2.524   8.040   4.485
  202   2HD1  LEU  20          1HD1      LEU  20   0.854   7.894   5.034
  203   3HD1  LEU  20          2HD1      LEU  20   2.111   6.941   5.804
  204   1HD2  LEU  20          2HD2      LEU  20   1.660   7.531   2.120
  205   2HD2  LEU  20          3HD2      LEU  20   0.728   6.063   1.846
  206   3HD2  LEU  20          1HD2      LEU  20   0.040   7.379   2.791
  207    QB   LEU  20           QB       LEU  20   3.067   5.416   2.909
  208    QD1  LEU  20           QD1      LEU  20   1.829   7.625   5.108
  209    QD2  LEU  20           QD2      LEU  20   0.809   6.991   2.253
  210    QQD  LEU  20           QQD      LEU  20   1.319   7.308   3.680
  211    H    ALA  21           HN       ALA  21   2.872   2.675   3.840
  212    HA   ALA  21           HA       ALA  21   0.648   1.927   5.281
  213   1HB   ALA  21          1HB       ALA  21   3.000   0.088   4.670
  214   2HB   ALA  21          2HB       ALA  21   1.376  -0.449   5.080
  215   3HB   ALA  21          3HB       ALA  21   1.656   0.438   3.590
  216    QB   ALA  21           QB       ALA  21   2.011   0.026   4.447
  217    H    GLU  22           HN       GLU  22   3.990   1.353   6.428
  218    HA   GLU  22           HA       GLU  22   3.644   0.109   8.837
  219   1HB   GLU  22          2HB       GLU  22   5.394   2.496   8.174
  220   2HB   GLU  22          3HB       GLU  22   5.583   1.512   9.598
  221   1HG   GLU  22          2HG       GLU  22   5.466  -0.047   7.099
  222   2HG   GLU  22          3HG       GLU  22   6.855   1.024   7.238
  223    QB   GLU  22           QB       GLU  22   5.488   2.004   8.886
  224    QG   GLU  22           QG       GLU  22   6.161   0.488   7.169
  225    H    LYS  23           HN       LYS  23   3.059   3.520   8.207
  226    HA   LYS  23           HA       LYS  23   2.597   4.256  10.968
  227   1HB   LYS  23          2HB       LYS  23   3.022   5.499   8.492
  228   2HB   LYS  23          3HB       LYS  23   1.368   5.877   8.856
  229   1HG   LYS  23          2HG       LYS  23   2.969   7.597   9.737
  230   2HG   LYS  23          3HG       LYS  23   1.993   6.871  10.995
  231   1HD   LYS  23          2HD       LYS  23   4.547   7.149  11.417
  232   2HD   LYS  23          3HD       LYS  23   3.789   5.643  11.885
  233   1HE   LYS  23          2HE       LYS  23   6.027   5.467  10.623
  234   2HE   LYS  23          3HE       LYS  23   4.721   4.470  10.018
  235   1HZ   LYS  23          1HZ       LYS  23   4.434   6.812   8.640
  236   2HZ   LYS  23          2HZ       LYS  23   6.108   6.618   8.753
  237   3HZ   LYS  23          3HZ       LYS  23   5.174   5.388   8.041
  238    QB   LYS  23           QB       LYS  23   2.195   5.688   8.674
  239    QG   LYS  23           QG       LYS  23   2.481   7.234  10.366
  240    QD   LYS  23           QD       LYS  23   4.168   6.396  11.651
  241    QE   LYS  23           QE       LYS  23   5.374   4.969  10.321
  242    QZ   LYS  23           QZ       LYS  23   5.239   6.273   8.478
  243    H    LEU  24           HN       LEU  24   0.552   3.846   8.148
  244    HA   LEU  24           HA       LEU  24  -1.973   4.211   9.352
  245   1HB   LEU  24          2HB       LEU  24  -1.285   2.167   7.223
  246   2HB   LEU  24          3HB       LEU  24  -2.853   2.919   7.474
  247    HG   LEU  24           HG       LEU  24  -0.286   4.313   6.601
  248   1HD1  LEU  24          2HD1      LEU  24  -2.859   3.659   5.151
  249   2HD1  LEU  24          3HD1      LEU  24  -1.580   4.676   4.504
  250   3HD1  LEU  24          1HD1      LEU  24  -1.272   2.978   4.837
  251   1HD2  LEU  24          3HD2      LEU  24  -3.069   5.467   7.009
  252   2HD2  LEU  24          1HD2      LEU  24  -1.644   5.824   7.990
  253   3HD2  LEU  24          2HD2      LEU  24  -1.701   6.328   6.306
  254    QB   LEU  24           QB       LEU  24  -2.069   2.543   7.348
  255    QD1  LEU  24           QD1      LEU  24  -1.904   3.771   4.831
  256    QD2  LEU  24           QD2      LEU  24  -2.138   5.873   7.102
  257    QQD  LEU  24           QQD      LEU  24  -2.021   4.822   5.966
  258    H    SER  25           HN       SER  25  -0.010   1.295   9.021
  259    HA   SER  25           HA       SER  25  -1.684  -0.570  10.358
  260   1HB   SER  25          2HB       SER  25   1.367  -0.463  10.403
  261   2HB   SER  25          3HB       SER  25   0.361  -1.894  10.697
  262    HG   SER  25           HG       SER  25  -0.530  -1.617   8.629
  263    QB   SER  25           QB       SER  25   0.864  -1.179  10.550
  264    H    ASN  26           HN       ASN  26   0.389   1.887  11.712
  265    HA   ASN  26           HA       ASN  26   0.016   0.750  14.446
  266   1HB   ASN  26          2HB       ASN  26   2.316   1.387  13.605
  267   2HB   ASN  26          3HB       ASN  26   1.779   3.061  13.563
  268   1HD2  ASN  26          2HD2      ASN  26   2.178   3.492  17.041
  269   2HD2  ASN  26          1HD2      ASN  26   1.758   4.205  15.559
  270    QB   ASN  26           QB       ASN  26   2.048   2.224  13.584
  271    QD2  ASN  26           QD2      ASN  26   1.968   3.848  16.300
  272    H    GLU  27           HN       GLU  27  -1.077   3.261  12.416
  273    HA   GLU  27           HA       GLU  27  -1.926   5.021  14.621
  274   1HB   GLU  27          2HB       GLU  27  -2.321   5.117  11.613
  275   2HB   GLU  27          3HB       GLU  27  -3.037   6.291  12.698
  276   1HG   GLU  27          2HG       GLU  27  -0.855   7.066  13.399
  277   2HG   GLU  27          3HG       GLU  27  -0.055   5.746  12.545
  278    QB   GLU  27           QB       GLU  27  -2.679   5.704  12.156
  279    QG   GLU  27           QG       GLU  27  -0.455   6.406  12.972
  280    NH1  ARG  28           NH2      ARG  28  -4.308   8.013  11.366
  281    NH2  ARG  28           NH1      ARG  28  -3.197   7.105   9.606
  282    H    ARG  28           HN       ARG  28  -3.417   2.960  12.164
  283    HA   ARG  28           HA       ARG  28  -6.041   3.284  13.557
  284   1HB   ARG  28          2HB       ARG  28  -5.342   2.335  10.754
  285   2HB   ARG  28          3HB       ARG  28  -6.968   2.292  11.422
  286   1HG   ARG  28          2HG       ARG  28  -7.072   4.365  10.400
  287   2HG   ARG  28          3HG       ARG  28  -6.427   4.872  11.948
  288   1HD   ARG  28          2HD       ARG  28  -4.103   4.676  10.943
  289   2HD   ARG  28          3HD       ARG  28  -4.870   4.415   9.380
  290    HE   ARG  28           HE       ARG  28  -6.098   6.703  10.014
  291   1HH1  ARG  28          2HH2      ARG  28  -5.186   8.101  11.861
  292   2HH1  ARG  28          1HH2      ARG  28  -3.520   8.597  11.607
  293   1HH2  ARG  28          2HH1      ARG  28  -3.193   6.470   8.847
  294   2HH2  ARG  28          1HH1      ARG  28  -2.405   7.715   9.749
  295    QB   ARG  28           QB       ARG  28  -6.155   2.314  11.088
  296    QG   ARG  28           QG       ARG  28  -6.749   4.618  11.174
  297    QD   ARG  28           QD       ARG  28  -4.487   4.546  10.162
  298    QH1  ARG  28           QH2      ARG  28  -4.353   8.349  11.734
  299    QH2  ARG  28           QH1      ARG  28  -2.799   7.092   9.298
  300    H    ASP  29           HN       ASP  29  -3.521   1.078  13.004
  301    HA   ASP  29           HA       ASP  29  -3.144  -1.096  13.735
  302   1HB   ASP  29          2HB       ASP  29  -5.737  -0.626  15.204
  303   2HB   ASP  29          3HB       ASP  29  -4.848  -2.135  15.304
  304    QB   ASP  29           QB       ASP  29  -5.293  -1.381  15.254
  305    H    ASP  30           HN       ASP  30  -6.580  -0.784  12.794
  306    HA   ASP  30           HA       ASP  30  -6.632  -3.463  11.654
  307   1HB   ASP  30          2HB       ASP  30  -8.700  -2.500  12.535
  308   2HB   ASP  30          3HB       ASP  30  -8.563  -1.126  11.439
  309    QB   ASP  30           QB       ASP  30  -8.632  -1.813  11.987
  310    H    PHE  31           HN       PHE  31  -4.503  -2.449  10.560
  311    HA   PHE  31           HA       PHE  31  -5.228  -2.077   7.733
  312   1HB   PHE  31          2HB       PHE  31  -5.058   0.218   8.592
  313   2HB   PHE  31          3HB       PHE  31  -3.474  -0.126   9.268
  314    HD1  PHE  31          2HD       PHE  31  -5.355   0.406   6.128
  315    HD2  PHE  31          1HD       PHE  31  -1.521  -0.291   7.819
  316    HE1  PHE  31          2HE       PHE  31  -4.294   0.883   3.961
  317    HE2  PHE  31          1HE       PHE  31  -0.478   0.135   5.674
  318    HZ   PHE  31           HZ       PHE  31  -1.855   0.751   3.729
  319    QB   PHE  31           QB       PHE  31  -4.266   0.046   8.930
  320    QR   PHE  31           QR       PHE  31  -2.912   0.283   5.895
  321    H    GLN  32           HN       GLN  32  -4.427  -4.230   7.653
  322    HA   GLN  32           HA       GLN  32  -1.534  -4.628   8.209
  323   1HB   GLN  32          2HB       GLN  32  -3.766  -6.467   7.251
  324   2HB   GLN  32          3HB       GLN  32  -2.091  -6.983   7.308
  325   1HG   GLN  32          2HG       GLN  32  -3.406  -7.665   9.336
  326   2HG   GLN  32          3HG       GLN  32  -2.009  -6.671   9.721
  327   1HE2  GLN  32          2HE2      GLN  32  -3.953  -4.388  11.474
  328   2HE2  GLN  32          1HE2      GLN  32  -2.520  -5.284  11.336
  329    QB   GLN  32           QB       GLN  32  -2.928  -6.725   7.280
  330    QG   GLN  32           QG       GLN  32  -2.708  -7.168   9.528
  331    QE2  GLN  32           QE2      GLN  32  -3.236  -4.836  11.405
  332    OH   TYR  33           OH       TYR  33   5.130  -2.566   7.371
  333    H    TYR  33           HN       TYR  33  -0.041  -4.852   6.503
  334    HA   TYR  33           HA       TYR  33  -1.145  -4.522   3.749
  335   1HB   TYR  33          2HB       TYR  33   0.684  -2.981   3.193
  336   2HB   TYR  33          3HB       TYR  33  -0.284  -2.336   4.509
  337    HD1  TYR  33           HD1      TYR  33   0.600  -2.580   6.911
  338    HD2  TYR  33           HD2      TYR  33   2.993  -3.429   3.495
  339    HE1  TYR  33           HE1      TYR  33   2.623  -2.319   8.266
  340    HE2  TYR  33           HE2      TYR  33   5.016  -3.212   4.853
  341    HH   TYR  33           HH       TYR  33   4.914  -2.187   8.247
  342    QB   TYR  33           QB       TYR  33   0.200  -2.659   3.851
  343    QR   TYR  33           QR       TYR  33   2.808  -2.885   5.881
  344    H    GLN  34           HN       GLN  34   0.063  -5.530   2.130
  345    HA   GLN  34           HA       GLN  34   2.127  -7.466   3.140
  346   1HB   GLN  34          2HB       GLN  34   0.044  -8.565   2.330
  347   2HB   GLN  34          3HB       GLN  34   0.204  -7.738   0.786
  348   1HG   GLN  34          2HG       GLN  34   2.395  -8.913   0.428
  349   2HG   GLN  34          3HG       GLN  34   2.146  -9.777   1.942
  350   1HE2  GLN  34          2HE2      GLN  34   0.748 -11.683  -1.091
  351   2HE2  GLN  34          1HE2      GLN  34   2.195 -10.802  -0.961
  352    QB   GLN  34           QB       GLN  34   0.124  -8.151   1.558
  353    QG   GLN  34           QG       GLN  34   2.270  -9.345   1.185
  354    QE2  GLN  34           QE2      GLN  34   1.471 -11.243  -1.026
  355    OH   TYR  35           OH       TYR  35   9.226  -3.104  -2.735
  356    H    TYR  35           HN       TYR  35   4.103  -7.464   2.123
  357    HA   TYR  35           HA       TYR  35   4.469  -5.395   0.013
  358   1HB   TYR  35          2HB       TYR  35   6.079  -5.517   2.025
  359   2HB   TYR  35          3HB       TYR  35   6.687  -7.019   1.326
  360    HD1  TYR  35           HD2      TYR  35   6.249  -3.372   0.690
  361    HD2  TYR  35           HD1      TYR  35   8.127  -6.966  -0.630
  362    HE1  TYR  35           HE2      TYR  35   7.519  -2.099  -0.976
  363    HE2  TYR  35           HE1      TYR  35   9.413  -5.681  -2.269
  364    HH   TYR  35           HH       TYR  35   8.799  -2.245  -2.828
  365    QB   TYR  35           QB       TYR  35   6.383  -6.268   1.676
  366    QR   TYR  35           QR       TYR  35   7.827  -4.529  -0.796
  367    H    VAL  36           HN       VAL  36   4.240  -6.082  -1.963
  368    HA   VAL  36           HA       VAL  36   4.890  -8.917  -2.608
  369    HB   VAL  36           HB       VAL  36   2.727  -6.982  -3.427
  370   1HG1  VAL  36          1HG1      VAL  36   3.668  -9.301  -5.175
  371   2HG1  VAL  36          2HG1      VAL  36   2.196  -8.371  -5.410
  372   3HG1  VAL  36          3HG1      VAL  36   3.764  -7.596  -5.605
  373   1HG2  VAL  36          1HG2      VAL  36   2.840  -9.961  -2.861
  374   2HG2  VAL  36          2HG2      VAL  36   2.330  -8.709  -1.736
  375   3HG2  VAL  36          3HG2      VAL  36   1.372  -9.040  -3.173
  376    QG1  VAL  36           QG1      VAL  36   3.209  -8.422  -5.396
  377    QG2  VAL  36           QG2      VAL  36   2.181  -9.237  -2.590
  378    QQG  VAL  36           QQG      VAL  36   2.695  -8.830  -3.993
  379    H    ASP  37           HN       ASP  37   6.375  -9.273  -4.152
  380    HA   ASP  37           HA       ASP  37   7.553  -6.919  -5.572
  381   1HB   ASP  37          2HB       ASP  37   9.280  -7.780  -4.225
  382   2HB   ASP  37          3HB       ASP  37   8.744  -9.442  -4.418
  383    QB   ASP  37           QB       ASP  37   9.012  -8.611  -4.321
  384    H    ILE  38           HN       ILE  38   7.483  -6.965  -7.741
  385    HA   ILE  38           HA       ILE  38   5.900  -8.904  -9.077
  386    HB   ILE  38           HB       ILE  38   6.655  -7.906 -11.192
  387   1HG1  ILE  38          2HG1      ILE  38   8.477  -6.166  -9.516
  388   2HG1  ILE  38          3HG1      ILE  38   9.042  -7.608 -10.339
  389   1HG2  ILE  38          1HG2      ILE  38   4.902  -6.794  -9.813
  390   2HG2  ILE  38          2HG2      ILE  38   6.147  -5.852  -8.998
  391   3HG2  ILE  38          3HG2      ILE  38   5.848  -5.621 -10.719
  392   1HD1  ILE  38          1HD1      ILE  38   8.239  -6.689 -12.508
  393   2HD1  ILE  38          2HD1      ILE  38   7.687  -5.236 -11.677
  394   3HD1  ILE  38          3HD1      ILE  38   9.403  -5.606 -11.749
  395    QG1  ILE  38           QG1      ILE  38   8.759  -6.887  -9.927
  396    QG2  ILE  38           QG2      ILE  38   5.633  -6.089  -9.843
  397    QD1  ILE  38           QD1      ILE  38   8.443  -5.843 -11.978
  398    NH1  ARG  39           NH1      ARG  39  12.448  -7.689  -7.423
  399    NH2  ARG  39           NH2      ARG  39  13.184  -9.653  -6.597
  400    H    ARG  39           HN       ARG  39   9.376  -8.918  -8.455
  401    HA   ARG  39           HA       ARG  39   9.826 -11.029 -10.454
  402   1HB   ARG  39          2HB       ARG  39  11.588 -10.316  -8.106
  403   2HB   ARG  39          3HB       ARG  39  12.061 -11.247  -9.512
  404   1HG   ARG  39          2HG       ARG  39  11.440  -9.180 -10.910
  405   2HG   ARG  39          3HG       ARG  39  11.360  -8.300  -9.398
  406   1HD   ARG  39          2HD       ARG  39  13.791  -9.827 -10.438
  407   2HD   ARG  39          3HD       ARG  39  13.598  -8.085 -10.500
  408    HE   ARG  39           HE       ARG  39  14.937  -8.888  -8.443
  409   1HH1  ARG  39          2HH1      ARG  39  12.472  -6.979  -8.114
  410   2HH1  ARG  39          1HH1      ARG  39  11.822  -7.604  -6.636
  411   1HH2  ARG  39          2HH2      ARG  39  13.796 -10.438  -6.656
  412   2HH2  ARG  39          1HH2      ARG  39  12.522  -9.568  -5.832
  413    QB   ARG  39           QB       ARG  39  11.824 -10.782  -8.809
  414    QG   ARG  39           QG       ARG  39  11.400  -8.740 -10.154
  415    QD   ARG  39           QD       ARG  39  13.695  -8.956 -10.469
  416    QH1  ARG  39           QH1      ARG  39  12.147  -7.291  -7.375
  417    QH2  ARG  39           QH2      ARG  39  13.159 -10.003  -6.244
  418    H    ALA  40           HN       ALA  40   9.197 -10.893  -6.992
  419    HA   ALA  40           HA       ALA  40   9.757 -13.662  -6.467
  420   1HB   ALA  40          1HB       ALA  40   9.583 -11.981  -4.663
  421   2HB   ALA  40          2HB       ALA  40   7.870 -11.775  -5.013
  422   3HB   ALA  40          3HB       ALA  40   8.461 -13.307  -4.383
  423    QB   ALA  40           QB       ALA  40   8.638 -12.354  -4.686
  424    H    GLU  41           HN       GLU  41   6.697 -11.974  -7.176
  425    HA   GLU  41           HA       GLU  41   5.274 -14.562  -7.245
  426   1HB   GLU  41          2HB       GLU  41   4.453 -11.680  -7.425
  427   2HB   GLU  41          3HB       GLU  41   3.366 -12.881  -8.113
  428   1HG   GLU  41          2HG       GLU  41   3.315 -14.102  -5.958
  429   2HG   GLU  41          3HG       GLU  41   4.458 -12.961  -5.265
  430    QB   GLU  41           QB       GLU  41   3.909 -12.280  -7.769
  431    QG   GLU  41           QG       GLU  41   3.886 -13.531  -5.611
  432    H    GLY  42           HN       GLY  42   6.508 -12.244  -9.622
  433   1HA   GLY  42          1HA       GLY  42   7.168 -13.002 -11.847
  434   2HA   GLY  42          2HA       GLY  42   5.980 -14.300 -11.732
  435    QA   GLY  42           QA       GLY  42   6.574 -13.651 -11.789
  436    H    ILE  43           HN       ILE  43   5.913 -10.797 -11.327
  437    HA   ILE  43           HA       ILE  43   3.416 -10.731 -12.969
  438    HB   ILE  43           HB       ILE  43   4.507  -8.692 -10.990
  439   1HG1  ILE  43          2HG1      ILE  43   2.183 -10.629 -10.684
  440   2HG1  ILE  43          3HG1      ILE  43   3.793 -10.979 -10.087
  441   1HG2  ILE  43          1HG2      ILE  43   2.998  -7.703 -12.716
  442   2HG2  ILE  43          2HG2      ILE  43   1.776  -8.911 -12.319
  443   3HG2  ILE  43          3HG2      ILE  43   2.239  -7.700 -11.135
  444   1HD1  ILE  43          1HD1      ILE  43   3.698  -8.945  -8.664
  445   2HD1  ILE  43          2HD1      ILE  43   2.065  -8.634  -9.240
  446   3HD1  ILE  43          3HD1      ILE  43   2.403 -10.072  -8.285
  447    QG1  ILE  43           QG1      ILE  43   2.988 -10.804 -10.385
  448    QG2  ILE  43           QG2      ILE  43   2.337  -8.105 -12.057
  449    QD1  ILE  43           QD1      ILE  43   2.722  -9.217  -8.730
  450    H    THR  44           HN       THR  44   3.120  -9.038 -14.475
  451    HA   THR  44           HA       THR  44   5.673  -7.956 -15.601
  452    HB   THR  44           HB       THR  44   4.474  -8.132 -17.837
  453    HG1  THR  44          1HG       THR  44   2.568  -9.720 -17.376
  454   1HG2  THR  44          3HG2      THR  44   5.885 -10.062 -16.916
  455   2HG2  THR  44          1HG2      THR  44   4.420 -10.728 -16.203
  456   3HG2  THR  44          2HG2      THR  44   4.570 -10.606 -17.958
  457    QG2  THR  44           QG2      THR  44   4.958 -10.465 -17.026
  458    H    LYS  45           HN       LYS  45   5.441  -5.876 -16.783
  459    HA   LYS  45           HA       LYS  45   4.047  -3.885 -15.300
  460   1HB   LYS  45          2HB       LYS  45   5.878  -3.424 -17.025
  461   2HB   LYS  45          3HB       LYS  45   4.676  -3.703 -18.281
  462   1HG   LYS  45          2HG       LYS  45   3.240  -1.919 -17.113
  463   2HG   LYS  45          3HG       LYS  45   4.640  -1.561 -16.125
  464   1HD   LYS  45          2HD       LYS  45   4.619   0.020 -17.963
  465   2HD   LYS  45          3HD       LYS  45   5.961  -1.088 -18.204
  466   1HE   LYS  45          2HE       LYS  45   4.618  -0.629 -20.287
  467   2HE   LYS  45          3HE       LYS  45   4.743  -2.330 -19.877
  468   1HZ   LYS  45          1HZ       LYS  45   2.465  -1.333 -18.598
  469   2HZ   LYS  45          2HZ       LYS  45   2.399  -0.777 -20.187
  470   3HZ   LYS  45          3HZ       LYS  45   2.571  -2.445 -19.876
  471    QB   LYS  45           QB       LYS  45   5.277  -3.563 -17.653
  472    QG   LYS  45           QG       LYS  45   3.940  -1.740 -16.619
  473    QD   LYS  45           QD       LYS  45   5.290  -0.534 -18.084
  474    QE   LYS  45           QE       LYS  45   4.680  -1.480 -20.082
  475    QZ   LYS  45           QZ       LYS  45   2.478  -1.518 -19.554
  476    H    GLU  46           HN       GLU  46   3.248  -5.656 -18.204
  477    HA   GLU  46           HA       GLU  46   0.766  -4.570 -18.877
  478   1HB   GLU  46          2HB       GLU  46   1.812  -7.418 -18.999
  479   2HB   GLU  46          3HB       GLU  46   0.274  -6.956 -19.712
  480   1HG   GLU  46          2HG       GLU  46   2.290  -6.938 -21.307
  481   2HG   GLU  46          3HG       GLU  46   1.327  -5.470 -21.279
  482    QB   GLU  46           QB       GLU  46   1.043  -7.187 -19.356
  483    QG   GLU  46           QG       GLU  46   1.809  -6.204 -21.293
  484    H    ASP  47           HN       ASP  47   1.286  -7.414 -16.707
  485    HA   ASP  47           HA       ASP  47  -1.341  -7.806 -15.860
  486   1HB   ASP  47          2HB       ASP  47   0.535  -9.210 -15.070
  487   2HB   ASP  47          3HB       ASP  47   1.130  -7.877 -14.087
  488    QB   ASP  47           QB       ASP  47   0.833  -8.543 -14.579
  489    H    LEU  48           HN       LEU  48   1.000  -5.601 -14.377
  490    HA   LEU  48           HA       LEU  48  -0.812  -4.502 -12.444
  491   1HB   LEU  48          2HB       LEU  48   1.710  -3.342 -13.676
  492   2HB   LEU  48          3HB       LEU  48   0.916  -2.682 -12.256
  493    HG   LEU  48           HG       LEU  48   1.835  -5.584 -12.427
  494   1HD1  LEU  48          3HD1      LEU  48   3.798  -4.080 -12.649
  495   2HD1  LEU  48          1HD1      LEU  48   3.294  -3.213 -11.202
  496   3HD1  LEU  48          2HD1      LEU  48   3.796  -4.899 -11.092
  497   1HD2  LEU  48          1HD2      LEU  48   1.135  -3.773 -10.082
  498   2HD2  LEU  48          2HD2      LEU  48   0.116  -5.063 -10.705
  499   3HD2  LEU  48          3HD2      LEU  48   1.660  -5.447  -9.958
  500    QB   LEU  48           QB       LEU  48   1.313  -3.012 -12.966
  501    QD1  LEU  48           QD1      LEU  48   3.629  -4.064 -11.648
  502    QD2  LEU  48           QD2      LEU  48   0.970  -4.761 -10.248
  503    QQD  LEU  48           QQD      LEU  48   2.300  -4.412 -10.948
  504    H    GLN  49           HN       GLN  49   0.245  -3.214 -15.571
  505    HA   GLN  49           HA       GLN  49  -1.313  -0.860 -15.570
  506   1HB   GLN  49          2HB       GLN  49   0.456  -1.498 -17.249
  507   2HB   GLN  49          3HB       GLN  49  -0.696  -2.610 -17.984
  508   1HG   GLN  49          2HG       GLN  49  -2.252  -0.717 -18.384
  509   2HG   GLN  49          3HG       GLN  49  -1.095   0.393 -17.655
  510   1HE2  GLN  49          2HE2      GLN  49  -0.750  -0.360 -21.514
  511   2HE2  GLN  49          1HE2      GLN  49  -2.163  -0.601 -20.608
  512    QB   GLN  49           QB       GLN  49  -0.120  -2.054 -17.617
  513    QG   GLN  49           QG       GLN  49  -1.674  -0.162 -18.019
  514    QE2  GLN  49           QE2      GLN  49  -1.457  -0.481 -21.061
  515    H    GLN  50           HN       GLN  50  -2.165  -4.172 -16.511
  516    HA   GLN  50           HA       GLN  50  -4.891  -3.513 -17.277
  517   1HB   GLN  50          2HB       GLN  50  -3.616  -6.193 -16.556
  518   2HB   GLN  50          3HB       GLN  50  -5.244  -6.001 -17.193
  519   1HG   GLN  50          2HG       GLN  50  -4.181  -4.825 -19.209
  520   2HG   GLN  50          3HG       GLN  50  -2.624  -5.362 -18.594
  521   1HE2  GLN  50          2HE2      GLN  50  -4.662  -8.775 -19.107
  522   2HE2  GLN  50          1HE2      GLN  50  -4.838  -7.771 -17.749
  523    QB   GLN  50           QB       GLN  50  -4.430  -6.097 -16.875
  524    QG   GLN  50           QG       GLN  50  -3.403  -5.094 -18.901
  525    QE2  GLN  50           QE2      GLN  50  -4.750  -8.273 -18.428
  526    H    LYS  51           HN       LYS  51  -3.298  -4.618 -14.335
  527    HA   LYS  51           HA       LYS  51  -5.607  -5.264 -12.826
  528   1HB   LYS  51          2HB       LYS  51  -3.003  -5.544 -12.396
  529   2HB   LYS  51          3HB       LYS  51  -3.157  -3.991 -11.608
  530   1HG   LYS  51          2HG       LYS  51  -3.994  -4.977  -9.802
  531   2HG   LYS  51          3HG       LYS  51  -5.331  -5.621 -10.730
  532   1HD   LYS  51          2HD       LYS  51  -2.594  -6.937 -10.499
  533   2HD   LYS  51          3HD       LYS  51  -3.997  -7.395  -9.543
  534   1HE   LYS  51          2HE       LYS  51  -4.188  -8.918 -11.280
  535   2HE   LYS  51          3HE       LYS  51  -5.158  -7.603 -11.918
  536   1HZ   LYS  51          2HZ       LYS  51  -2.431  -7.218 -12.590
  537   2HZ   LYS  51          3HZ       LYS  51  -2.897  -8.770 -13.035
  538   3HZ   LYS  51          1HZ       LYS  51  -3.749  -7.424 -13.640
  539    QB   LYS  51           QB       LYS  51  -3.080  -4.768 -12.002
  540    QG   LYS  51           QG       LYS  51  -4.663  -5.299 -10.266
  541    QD   LYS  51           QD       LYS  51  -3.295  -7.166 -10.021
  542    QE   LYS  51           QE       LYS  51  -4.673  -8.261 -11.599
  543    QZ   LYS  51           QZ       LYS  51  -3.026  -7.804 -13.088
  544    H    ALA  52           HN       ALA  52  -3.897  -2.262 -13.404
  545    HA   ALA  52           HA       ALA  52  -5.951  -0.718 -11.882
  546   1HB   ALA  52          1HB       ALA  52  -3.201   0.056 -12.934
  547   2HB   ALA  52          2HB       ALA  52  -4.281   1.154 -12.095
  548   3HB   ALA  52          3HB       ALA  52  -3.628  -0.246 -11.256
  549    QB   ALA  52           QB       ALA  52  -3.703   0.321 -12.095
  550    H    GLY  53           HN       GLY  53  -4.022   0.584 -14.553
  551   1HA   GLY  53          1HA       GLY  53  -4.908   0.607 -16.878
  552   2HA   GLY  53          2HA       GLY  53  -6.526   0.649 -16.207
  553    QA   GLY  53           QA       GLY  53  -5.717   0.628 -16.543
  554    H    LYS  54           HN       LYS  54  -3.707   2.665 -15.326
  555    HA   LYS  54           HA       LYS  54  -5.305   4.986 -16.323
  556   1HB   LYS  54          2HB       LYS  54  -4.431   6.369 -14.496
  557   2HB   LYS  54          3HB       LYS  54  -5.316   4.998 -13.858
  558   1HG   LYS  54          2HG       LYS  54  -3.254   3.846 -13.285
  559   2HG   LYS  54          3HG       LYS  54  -2.285   5.055 -14.109
  560   1HD   LYS  54          2HD       LYS  54  -3.460   6.751 -12.470
  561   2HD   LYS  54          3HD       LYS  54  -3.845   5.315 -11.530
  562   1HE   LYS  54          2HE       LYS  54  -1.442   4.737 -11.400
  563   2HE   LYS  54          3HE       LYS  54  -1.039   6.137 -12.382
  564   1HZ   LYS  54          1HZ       LYS  54  -2.596   6.985 -10.157
  565   2HZ   LYS  54          2HZ       LYS  54  -1.311   6.029  -9.591
  566   3HZ   LYS  54          3HZ       LYS  54  -1.004   7.391 -10.545
  567    QB   LYS  54           QB       LYS  54  -4.874   5.683 -14.177
  568    QG   LYS  54           QG       LYS  54  -2.769   4.451 -13.697
  569    QD   LYS  54           QD       LYS  54  -3.653   6.033 -12.000
  570    QE   LYS  54           QE       LYS  54  -1.241   5.437 -11.891
  571    QZ   LYS  54           QZ       LYS  54  -1.637   6.802 -10.098
  572    HA   PRO  55           HA       PRO  55  -2.260   2.679 -17.558
  573   1HB   PRO  55          2HB       PRO  55  -2.183   3.299 -20.431
  574   2HB   PRO  55          3HB       PRO  55  -2.935   1.932 -19.605
  575   1HG   PRO  55          2HG       PRO  55  -4.403   3.948 -20.770
  576   2HG   PRO  55          3HG       PRO  55  -4.982   3.023 -19.378
  577   1HD   PRO  55          2HD       PRO  55  -3.793   5.797 -19.428
  578   2HD   PRO  55          3HD       PRO  55  -5.106   5.151 -18.421
  579    QB   PRO  55           QB       PRO  55  -2.559   2.615 -20.018
  580    QG   PRO  55           QG       PRO  55  -4.693   3.486 -20.074
  581    QD   PRO  55           QD       PRO  55  -4.450   5.474 -18.924
  582    H    VAL  56           HN       VAL  56  -0.919   5.080 -16.853
  583    HA   VAL  56           HA       VAL  56   1.661   4.672 -18.254
  584    HB   VAL  56           HB       VAL  56   2.041   7.157 -18.058
  585   1HG1  VAL  56          1HG1      VAL  56  -0.350   6.275 -19.717
  586   2HG1  VAL  56          2HG1      VAL  56   0.610   7.720 -20.018
  587   3HG1  VAL  56          3HG1      VAL  56   1.336   6.128 -20.199
  588   1HG2  VAL  56          3HG2      VAL  56   0.331   7.641 -16.325
  589   2HG2  VAL  56          1HG2      VAL  56   0.081   8.627 -17.763
  590   3HG2  VAL  56          2HG2      VAL  56  -0.940   7.222 -17.468
  591    QG1  VAL  56           QG1      VAL  56   0.532   6.708 -19.978
  592    QG2  VAL  56           QG2      VAL  56  -0.176   7.830 -17.185
  593    QQG  VAL  56           QQG      VAL  56   0.178   7.269 -18.582
  594    H    GLU  57           HN       GLU  57   0.656   3.529 -15.894
  595    HA   GLU  57           HA       GLU  57   2.128   4.894 -13.716
  596   1HB   GLU  57          2HB       GLU  57   0.824   3.412 -12.218
  597   2HB   GLU  57          3HB       GLU  57  -0.229   4.308 -13.292
  598   1HG   GLU  57          2HG       GLU  57   0.627   1.662 -14.334
  599   2HG   GLU  57          3HG       GLU  57  -0.409   1.606 -12.917
  600    QB   GLU  57           QB       GLU  57   0.298   3.860 -12.755
  601    QG   GLU  57           QG       GLU  57   0.109   1.634 -13.625
  602    H    THR  58           HN       THR  58   3.515   3.727 -12.383
  603    HA   THR  58           HA       THR  58   4.699   1.236 -13.539
  604    HB   THR  58           HB       THR  58   6.153   3.251 -13.988
  605    HG1  THR  58          1HG       THR  58   7.751   1.931 -13.588
  606   1HG2  THR  58          1HG2      THR  58   6.352   3.381 -10.941
  607   2HG2  THR  58          2HG2      THR  58   7.264   4.358 -12.080
  608   3HG2  THR  58          3HG2      THR  58   5.527   4.582 -11.931
  609    QG2  THR  58           QG2      THR  58   6.381   4.107 -11.651
  610    H    VAL  59           HN       VAL  59   6.573   1.071 -11.314
  611    HA   VAL  59           HA       VAL  59   4.631   0.227  -9.197
  612    HB   VAL  59           HB       VAL  59   6.683  -1.168  -8.390
  613   1HG1  VAL  59          2HG1      VAL  59   5.342  -1.771 -11.050
  614   2HG1  VAL  59          3HG1      VAL  59   6.142  -2.959 -10.025
  615   3HG1  VAL  59          1HG1      VAL  59   4.682  -2.150  -9.459
  616   1HG2  VAL  59          2HG2      VAL  59   8.343   0.020  -9.810
  617   2HG2  VAL  59          3HG2      VAL  59   8.310  -1.706 -10.146
  618   3HG2  VAL  59          1HG2      VAL  59   7.524  -0.582 -11.246
  619    QG1  VAL  59           QG1      VAL  59   5.389  -2.293 -10.178
  620    QG2  VAL  59           QG2      VAL  59   8.059  -0.756 -10.401
  621    QQG  VAL  59           QQG      VAL  59   6.724  -1.525 -10.289
  622    HA   PRO  60           HA       PRO  60   5.157  -0.577  -7.058
  623   1HB   PRO  60          2HB       PRO  60   4.194   0.199  -4.670
  624   2HB   PRO  60          3HB       PRO  60   5.946   0.012  -4.909
  625   1HG   PRO  60          2HG       PRO  60   4.285   2.557  -4.998
  626   2HG   PRO  60          3HG       PRO  60   5.800   2.281  -4.139
  627   1HD   PRO  60          2HD       PRO  60   5.643   3.474  -6.653
  628   2HD   PRO  60          3HD       PRO  60   7.085   2.587  -6.106
  629    QB   PRO  60           QB       PRO  60   5.070   0.106  -4.790
  630    QG   PRO  60           QG       PRO  60   5.043   2.419  -4.568
  631    QD   PRO  60           QD       PRO  60   6.364   3.030  -6.379
  632    H    GLN  61           HN       GLN  61   3.020  -1.315  -7.222
  633    HA   GLN  61           HA       GLN  61   0.997   0.808  -7.803
  634   1HB   GLN  61          2HB       GLN  61   1.442  -1.917  -8.888
  635   2HB   GLN  61          3HB       GLN  61  -0.219  -1.649  -8.400
  636   1HG   GLN  61          2HG       GLN  61   1.374  -0.160 -10.488
  637   2HG   GLN  61          3HG       GLN  61  -0.186  -0.960 -10.655
  638   1HE2  GLN  61          2HE2      GLN  61  -0.177   2.914  -9.892
  639   2HE2  GLN  61          1HE2      GLN  61   1.174   2.037 -10.462
  640    QB   GLN  61           QB       GLN  61   0.611  -1.783  -8.644
  641    QG   GLN  61           QG       GLN  61   0.594  -0.560 -10.572
  642    QE2  GLN  61           QE2      GLN  61   0.498   2.475 -10.177
  643    H    ILE  62           HN       ILE  62  -0.977   0.800  -6.709
  644    HA   ILE  62           HA       ILE  62  -0.923  -0.978  -4.311
  645    HB   ILE  62           HB       ILE  62  -1.567   1.978  -4.303
  646   1HG1  ILE  62          2HG1      ILE  62   0.828   0.330  -3.398
  647   2HG1  ILE  62          3HG1      ILE  62   0.809   1.543  -4.662
  648   1HG2  ILE  62          2HG2      ILE  62  -1.390  -0.080  -2.061
  649   2HG2  ILE  62          3HG2      ILE  62  -1.649   1.642  -1.826
  650   3HG2  ILE  62          1HG2      ILE  62  -2.870   0.672  -2.630
  651   1HD1  ILE  62          2HD1      ILE  62   0.264   3.275  -3.003
  652   2HD1  ILE  62          3HD1      ILE  62   0.327   2.068  -1.719
  653   3HD1  ILE  62          1HD1      ILE  62   1.782   2.465  -2.629
  654    QG1  ILE  62           QG1      ILE  62   0.819   0.936  -4.030
  655    QG2  ILE  62           QG2      ILE  62  -1.970   0.745  -2.172
  656    QD1  ILE  62           QD1      ILE  62   0.791   2.603  -2.450
  657    H    PHE  63           HN       PHE  63  -2.616  -1.705  -3.588
  658    HA   PHE  63           HA       PHE  63  -5.300  -1.015  -4.683
  659   1HB   PHE  63          2HB       PHE  63  -4.025  -3.772  -4.482
  660   2HB   PHE  63          3HB       PHE  63  -5.752  -3.525  -4.718
  661    HD1  PHE  63          2HD       PHE  63  -2.451  -2.528  -6.230
  662    HD2  PHE  63          1HD       PHE  63  -6.574  -3.361  -6.907
  663    HE1  PHE  63          2HE       PHE  63  -2.135  -2.195  -8.644
  664    HE2  PHE  63          1HE       PHE  63  -6.224  -3.110  -9.323
  665    HZ   PHE  63           HZ       PHE  63  -4.024  -2.452 -10.178
  666    QB   PHE  63           QB       PHE  63  -4.888  -3.649  -4.600
  667    QR   PHE  63           QR       PHE  63  -4.346  -2.799  -7.776
  668    H    VAL  64           HN       VAL  64  -6.820  -0.957  -3.049
  669    HA   VAL  64           HA       VAL  64  -5.901  -1.854  -0.333
  670    HB   VAL  64           HB       VAL  64  -8.195   0.003  -1.109
  671   1HG1  VAL  64          2HG1      VAL  64  -7.017  -0.722   1.601
  672   2HG1  VAL  64          3HG1      VAL  64  -8.271   0.485   1.323
  673   3HG1  VAL  64          1HG1      VAL  64  -8.604  -1.218   1.022
  674   1HG2  VAL  64          1HG2      VAL  64  -5.829   0.859  -1.423
  675   2HG2  VAL  64          2HG2      VAL  64  -6.749   1.771  -0.238
  676   3HG2  VAL  64          3HG2      VAL  64  -5.550   0.585   0.279
  677    QG1  VAL  64           QG1      VAL  64  -7.964  -0.485   1.315
  678    QG2  VAL  64           QG2      VAL  64  -6.043   1.071  -0.461
  679    QQG  VAL  64           QQG      VAL  64  -7.003   0.293   0.427
  680    H    ASP  65           HN       ASP  65  -6.685  -3.669   0.393
  681    HA   ASP  65           HA       ASP  65  -7.773  -5.697   0.469
  682   1HB   ASP  65          2HB       ASP  65 -10.005  -3.674   0.299
  683   2HB   ASP  65          3HB       ASP  65 -10.349  -5.397   0.456
  684    QB   ASP  65           QB       ASP  65 -10.177  -4.535   0.377
  685    H    GLN  66           HN       GLN  66 -10.000  -4.227  -1.839
  686    HA   GLN  66           HA       GLN  66  -9.026  -6.173  -3.863
  687   1HB   GLN  66          2HB       GLN  66 -11.951  -5.758  -3.161
  688   2HB   GLN  66          3HB       GLN  66 -11.345  -6.795  -4.446
  689   1HG   GLN  66          2HG       GLN  66  -9.974  -7.988  -2.588
  690   2HG   GLN  66          3HG       GLN  66 -11.006  -7.133  -1.448
  691   1HE2  GLN  66          2HE2      GLN  66 -12.408 -10.473  -3.026
  692   2HE2  GLN  66          1HE2      GLN  66 -10.766 -10.058  -2.947
  693    QB   GLN  66           QB       GLN  66 -11.648  -6.276  -3.803
  694    QG   GLN  66           QG       GLN  66 -10.490  -7.561  -2.018
  695    QE2  GLN  66           QE2      GLN  66 -11.587 -10.265  -2.987
  696    H    GLN  67           HN       GLN  67  -9.547  -3.037  -3.247
  697    HA   GLN  67           HA       GLN  67 -10.502  -2.355  -5.938
  698   1HB   GLN  67          2HB       GLN  67 -11.646  -1.459  -3.905
  699   2HB   GLN  67          3HB       GLN  67 -10.125  -0.741  -3.382
  700   1HG   GLN  67          2HG       GLN  67 -10.059   0.565  -5.478
  701   2HG   GLN  67          3HG       GLN  67 -11.607  -0.144  -5.923
  702   1HE2  GLN  67          2HE2      GLN  67 -11.548   3.046  -3.543
  703   2HE2  GLN  67          1HE2      GLN  67 -10.257   2.546  -4.527
  704    QB   GLN  67           QB       GLN  67 -10.885  -1.100  -3.643
  705    QG   GLN  67           QG       GLN  67 -10.833   0.211  -5.701
  706    QE2  GLN  67           QE2      GLN  67 -10.902   2.796  -4.035
  707    H    HIS  68           HN       HIS  68  -9.352  -0.726  -7.098
  708    HA   HIS  68           HA       HIS  68  -6.409  -0.847  -6.700
  709   1HB   HIS  68          2HB       HIS  68  -7.090  -1.303  -8.957
  710   2HB   HIS  68          3HB       HIS  68  -8.234   0.001  -8.954
  711    HD1  HIS  68           HD1      HIS  68  -7.490   1.817 -10.259
  712    HD2  HIS  68           HD2      HIS  68  -4.226   0.032  -8.499
  713    HE1  HIS  68           HE1      HIS  68  -5.484   3.175 -10.946
  714    QB   HIS  68           QB       HIS  68  -7.662  -0.651  -8.955
  715    H    ILE  69           HN       ILE  69  -5.182   1.130  -6.430
  716    HA   ILE  69           HA       ILE  69  -6.966   3.458  -5.773
  717    HB   ILE  69           HB       ILE  69  -4.238   3.219  -4.542
  718   1HG1  ILE  69          2HG1      ILE  69  -5.410   0.985  -4.256
  719   2HG1  ILE  69          3HG1      ILE  69  -5.076   1.838  -2.770
  720   1HG2  ILE  69          3HG2      ILE  69  -6.961   4.269  -3.649
  721   2HG2  ILE  69          1HG2      ILE  69  -5.509   4.310  -2.654
  722   3HG2  ILE  69          2HG2      ILE  69  -5.586   5.246  -4.145
  723   1HD1  ILE  69          2HD1      ILE  69  -7.748   2.001  -4.216
  724   2HD1  ILE  69          3HD1      ILE  69  -7.434   0.880  -2.906
  725   3HD1  ILE  69          1HD1      ILE  69  -7.389   2.611  -2.608
  726    QG1  ILE  69           QG1      ILE  69  -5.243   1.412  -3.513
  727    QG2  ILE  69           QG2      ILE  69  -6.019   4.608  -3.482
  728    QD1  ILE  69           QD1      ILE  69  -7.524   1.831  -3.243
  729    H    GLY  70           HN       GLY  70  -3.881   2.494  -7.193
  730   1HA   GLY  70          1HA       GLY  70  -3.618   3.873  -9.405
  731   2HA   GLY  70          2HA       GLY  70  -3.658   5.260  -8.337
  732    QA   GLY  70           QA       GLY  70  -3.638   4.567  -8.871
  733    H    GLY  71           HN       GLY  71  -2.085   3.745  -6.281
  734   1HA   GLY  71          1HA       GLY  71   0.278   2.667  -6.557
  735   2HA   GLY  71          2HA       GLY  71   0.595   4.067  -7.585
  736    QA   GLY  71           QA       GLY  71   0.436   3.367  -7.071
  737    OH   TYR  72           OH       TYR  72   4.231   9.753   0.019
  738    H    TYR  72           HN       TYR  72   2.311   4.194  -5.687
  739    HA   TYR  72           HA       TYR  72   1.614   4.945  -3.082
  740   1HB   TYR  72          2HB       TYR  72   3.956   4.722  -3.558
  741   2HB   TYR  72          3HB       TYR  72   3.889   5.968  -4.803
  742    HD1  TYR  72           HD2      TYR  72   2.920   5.595  -1.184
  743    HD2  TYR  72           HD1      TYR  72   4.664   8.086  -4.160
  744    HE1  TYR  72           HE2      TYR  72   3.212   7.376   0.483
  745    HE2  TYR  72           HE1      TYR  72   4.912   9.877  -2.509
  746    HH   TYR  72           HH       TYR  72   5.140  10.063  -0.024
  747    QB   TYR  72           QB       TYR  72   3.923   5.345  -4.180
  748    QR   TYR  72           QR       TYR  72   3.927   7.734  -1.842
  749    H    THR  73           HN       THR  73   2.224   7.291  -5.720
  750    HA   THR  73           HA       THR  73   1.495   9.598  -4.319
  751    HB   THR  73           HB       THR  73   0.729  10.281  -6.844
  752    HG1  THR  73          1HG       THR  73   0.589   8.161  -7.602
  753   1HG2  THR  73          3HG2      THR  73   3.564   9.326  -6.206
  754   2HG2  THR  73          1HG2      THR  73   3.118  10.472  -7.465
  755   3HG2  THR  73          2HG2      THR  73   2.943  10.915  -5.769
  756    QG2  THR  73           QG2      THR  73   3.208  10.238  -6.480
  757    H    ASP  74           HN       ASP  74  -0.709   7.442  -6.112
  758    HA   ASP  74           HA       ASP  74  -3.020   9.125  -5.537
  759   1HB   ASP  74          2HB       ASP  74  -3.065   6.199  -6.338
  760   2HB   ASP  74          3HB       ASP  74  -4.290   7.419  -6.658
  761    QB   ASP  74           QB       ASP  74  -3.677   6.809  -6.498
  762    H    PHE  75           HN       PHE  75  -1.930   5.962  -4.359
  763    HA   PHE  75           HA       PHE  75  -3.906   5.502  -2.411
  764   1HB   PHE  75          2HB       PHE  75  -2.199   3.818  -2.995
  765   2HB   PHE  75          3HB       PHE  75  -0.932   4.856  -2.362
  766    HD1  PHE  75          2HD       PHE  75  -4.078   3.127  -1.279
  767    HD2  PHE  75          1HD       PHE  75  -0.266   4.634  -0.127
  768    HE1  PHE  75          2HE       PHE  75  -4.302   2.044   0.914
  769    HE2  PHE  75          1HE       PHE  75  -0.490   3.540   2.052
  770    HZ   PHE  75           HZ       PHE  75  -2.523   2.261   2.574
  771    QB   PHE  75           QB       PHE  75  -1.566   4.337  -2.678
  772    QR   PHE  75           QR       PHE  75  -2.284   3.336   0.390
  773    H    ALA  76           HN       ALA  76  -0.912   7.365  -2.239
  774    HA   ALA  76           HA       ALA  76  -0.967   8.169   0.445
  775   1HB   ALA  76          2HB       ALA  76   0.867   8.711  -1.166
  776   2HB   ALA  76          3HB       ALA  76  -0.197   9.829  -2.001
  777   3HB   ALA  76          1HB       ALA  76   0.308  10.165  -0.354
  778    QB   ALA  76           QB       ALA  76   0.326   9.568  -1.173
  779    H    ALA  77           HN       ALA  77  -2.276  10.015  -2.311
  780    HA   ALA  77           HA       ALA  77  -3.690  11.945  -0.817
  781   1HB   ALA  77          3HB       ALA  77  -3.366  12.053  -3.275
  782   2HB   ALA  77          1HB       ALA  77  -4.497  10.721  -3.481
  783   3HB   ALA  77          2HB       ALA  77  -5.063  12.266  -2.852
  784    QB   ALA  77           QB       ALA  77  -4.309  11.680  -3.203
  785    CH2  TRP  78           CH2      TRP  78  -8.717   3.627   1.915
  786    H    TRP  78           HN       TRP  78  -5.032   8.913  -2.156
  787    HA   TRP  78           HA       TRP  78  -7.647   9.187  -1.011
  788   1HB   TRP  78          2HB       TRP  78  -7.015   7.405  -2.651
  789   2HB   TRP  78          3HB       TRP  78  -5.966   6.677  -1.479
  790    HD1  TRP  78           HD1      TRP  78  -9.617   6.745  -2.556
  791    HE1  TRP  78           HE1      TRP  78 -10.989   5.230  -1.135
  792    HE3  TRP  78           HE3      TRP  78  -6.090   5.435   0.738
  793    HZ2  TRP  78           HZ2      TRP  78 -10.683   3.588   1.073
  794    HZ3  TRP  78           HZ3      TRP  78  -6.681   3.843   2.539
  795    HH2  TRP  78           HH2      TRP  78  -8.955   2.915   2.693
  796    QB   TRP  78           QB       TRP  78  -6.491   7.041  -2.065
  797    H    VAL  79           HN       VAL  79  -4.841   7.480   0.292
  798    HA   VAL  79           HA       VAL  79  -5.816   6.585   2.737
  799    HB   VAL  79           HB       VAL  79  -3.150   7.536   1.737
  800   1HG1  VAL  79          1HG1      VAL  79  -3.729   7.102   4.688
  801   2HG1  VAL  79          2HG1      VAL  79  -2.116   7.166   3.992
  802   3HG1  VAL  79          3HG1      VAL  79  -3.141   8.583   3.948
  803   1HG2  VAL  79          2HG2      VAL  79  -4.100   5.024   3.140
  804   2HG2  VAL  79          3HG2      VAL  79  -3.847   5.215   1.408
  805   3HG2  VAL  79          1HG2      VAL  79  -2.478   5.282   2.512
  806    QG1  VAL  79           QG1      VAL  79  -2.995   7.617   4.209
  807    QG2  VAL  79           QG2      VAL  79  -3.475   5.173   2.353
  808    QQG  VAL  79           QQG      VAL  79  -3.235   6.395   3.281
  809    H    LYS  80           HN       LYS  80  -4.097   9.570   2.169
  810    HA   LYS  80           HA       LYS  80  -4.203  10.881   4.494
  811   1HB   LYS  80          2HB       LYS  80  -3.197  11.895   2.597
  812   2HB   LYS  80          3HB       LYS  80  -4.690  11.837   1.686
  813   1HG   LYS  80          2HG       LYS  80  -4.299  14.081   2.413
  814   2HG   LYS  80          3HG       LYS  80  -5.712  13.433   3.211
  815   1HD   LYS  80          2HD       LYS  80  -4.040  12.834   5.146
  816   2HD   LYS  80          3HD       LYS  80  -2.989  14.010   4.373
  817   1HE   LYS  80          2HE       LYS  80  -4.204  15.284   5.962
  818   2HE   LYS  80          3HE       LYS  80  -5.020  15.616   4.439
  819   1HZ   LYS  80          1HZ       LYS  80  -6.141  13.319   5.688
  820   2HZ   LYS  80          2HZ       LYS  80  -6.121  14.587   6.778
  821   3HZ   LYS  80          3HZ       LYS  80  -6.906  14.781   5.266
  822    QB   LYS  80           QB       LYS  80  -3.944  11.866   2.141
  823    QG   LYS  80           QG       LYS  80  -5.006  13.757   2.812
  824    QD   LYS  80           QD       LYS  80  -3.514  13.422   4.759
  825    QE   LYS  80           QE       LYS  80  -4.612  15.450   5.200
  826    QZ   LYS  80           QZ       LYS  80  -6.389  14.229   5.910
  827    H    GLU  81           HN       GLU  81  -7.002  10.906   2.254
  828    HA   GLU  81           HA       GLU  81  -8.568  12.082   4.484
  829   1HB   GLU  81          2HB       GLU  81  -8.275  12.717   1.773
  830   2HB   GLU  81          3HB       GLU  81  -9.796  11.833   1.788
  831   1HG   GLU  81          2HG       GLU  81 -10.153  14.262   2.161
  832   2HG   GLU  81          3HG       GLU  81 -10.679  13.313   3.541
  833    QB   GLU  81           QB       GLU  81  -9.035  12.275   1.780
  834    QG   GLU  81           QG       GLU  81 -10.416  13.787   2.851
  835    H    ASN  82           HN       ASN  82  -8.062   9.099   4.043
  836    HA   ASN  82           HA       ASN  82 -10.900   8.539   4.514
  837   1HB   ASN  82          2HB       ASN  82  -9.070   6.957   2.667
  838   2HB   ASN  82          3HB       ASN  82 -10.525   6.232   3.347
  839   1HD2  ASN  82          2HD2      ASN  82 -10.848   9.105   0.468
  840   2HD2  ASN  82          1HD2      ASN  82  -9.355   8.767   1.204
  841    QB   ASN  82           QB       ASN  82  -9.797   6.595   3.007
  842    QD2  ASN  82           QD2      ASN  82 -10.101   8.936   0.836
  843    H    LEU  83           HN       LEU  83  -7.652   7.862   5.211
  844    HA   LEU  83           HA       LEU  83  -8.572   5.972   7.309
  845   1HB   LEU  83          2HB       LEU  83  -5.750   6.712   6.463
  846   2HB   LEU  83          3HB       LEU  83  -6.193   5.434   7.585
  847    HG   LEU  83           HG       LEU  83  -6.829   5.544   4.613
  848   1HD1  LEU  83          2HD1      LEU  83  -4.533   4.882   5.223
  849   2HD1  LEU  83          3HD1      LEU  83  -5.162   3.658   6.316
  850   3HD1  LEU  83          1HD1      LEU  83  -5.421   3.503   4.583
  851   1HD2  LEU  83          2HD2      LEU  83  -7.654   3.487   6.712
  852   2HD2  LEU  83          3HD2      LEU  83  -8.744   4.562   5.843
  853   3HD2  LEU  83          1HD2      LEU  83  -7.877   3.303   4.975
  854    QB   LEU  83           QB       LEU  83  -5.972   6.073   7.024
  855    QD1  LEU  83           QD1      LEU  83  -5.039   4.014   5.374
  856    QD2  LEU  83           QD2      LEU  83  -8.092   3.784   5.843
  857    QQD  LEU  83           QQD      LEU  83  -6.565   3.899   5.609
  858    H    ASP  84           HN       ASP  84  -9.324   8.668   7.532
  859    HA   ASP  84           HA       ASP  84  -9.302  10.411   9.053
  860   1HB   ASP  84          2HB       ASP  84  -8.858   9.715  11.416
  861   2HB   ASP  84          3HB       ASP  84 -10.024   8.698  10.607
  862    QB   ASP  84           QB       ASP  84  -9.441   9.207  11.012
  863    H    ALA  85           HN       ALA  85  -7.134  10.232   7.379
  864    HA   ALA  85           HA       ALA  85  -4.850  11.024   9.205
  865   1HB   ALA  85          3HB       ALA  85  -4.852  10.218   6.286
  866   2HB   ALA  85          1HB       ALA  85  -3.416  10.670   7.194
  867   3HB   ALA  85          2HB       ALA  85  -4.320   9.222   7.630
  868    QB   ALA  85           QB       ALA  85  -4.196  10.037   7.037
   
  Start of MODEL           4
 Raw file had 868 H/Q atoms
  Start of MODEL    4
    1    H    MET   1           HN       MET   1  -8.530  -2.779   6.781
    2    HA   MET   1           HA       MET   1  -8.919  -4.892   4.973
    3   1HB   MET   1          2HB       MET   1  -7.728  -2.118   4.602
    4   2HB   MET   1          3HB       MET   1  -8.148  -3.186   3.277
    5   1HG   MET   1          2HG       MET   1 -10.485  -3.244   4.048
    6   2HG   MET   1          3HG       MET   1 -10.086  -2.182   5.378
    7   1HE   MET   1          3HE       MET   1  -9.529   0.174   5.285
    8   2HE   MET   1          1HE       MET   1  -8.225   0.017   4.099
    9   3HE   MET   1          2HE       MET   1  -9.503   1.204   3.863
   10    QB   MET   1           QB       MET   1  -7.938  -2.652   3.939
   11    QG   MET   1           QG       MET   1 -10.285  -2.713   4.713
   12    QE   MET   1           QE       MET   1  -9.086   0.465   4.416
   13    H    GLN   2           HN       GLN   2  -7.383  -5.349   3.178
   14    HA   GLN   2           HA       GLN   2  -4.626  -5.854   4.260
   15   1HB   GLN   2          2HB       GLN   2  -6.475  -7.386   2.450
   16   2HB   GLN   2          3HB       GLN   2  -4.747  -7.519   2.154
   17   1HG   GLN   2          2HG       GLN   2  -5.691  -7.830   4.987
   18   2HG   GLN   2          3HG       GLN   2  -5.994  -9.155   3.871
   19   1HE2  GLN   2          2HE2      GLN   2  -2.670 -10.269   4.005
   20   2HE2  GLN   2          1HE2      GLN   2  -4.293 -10.588   3.627
   21    QB   GLN   2           QB       GLN   2  -5.611  -7.452   2.302
   22    QG   GLN   2           QG       GLN   2  -5.842  -8.493   4.429
   23    QE2  GLN   2           QE2      GLN   2  -3.482 -10.429   3.816
   24    H    THR   3           HN       THR   3  -3.457  -4.118   3.540
   25    HA   THR   3           HA       THR   3  -3.975  -3.119   0.802
   26    HB   THR   3           HB       THR   3  -2.086  -2.023   2.944
   27    HG1  THR   3          1HG       THR   3  -3.946  -1.411   3.771
   28   1HG2  THR   3          3HG2      THR   3  -3.415  -0.741   0.502
   29   2HG2  THR   3          1HG2      THR   3  -2.336   0.069   1.627
   30   3HG2  THR   3          2HG2      THR   3  -1.717  -1.186   0.562
   31    QG2  THR   3           QG2      THR   3  -2.490  -0.619   0.897
   32    H    VAL   4           HN       VAL   4  -2.560  -3.283  -0.829
   33    HA   VAL   4           HA       VAL   4  -0.098  -4.966  -0.420
   34    HB   VAL   4           HB       VAL   4  -1.881  -4.955  -2.876
   35   1HG1  VAL   4          3HG1      VAL   4   0.396  -6.733  -1.935
   36   2HG1  VAL   4          1HG1      VAL   4  -0.542  -6.995  -3.401
   37   3HG1  VAL   4          2HG1      VAL   4   0.476  -5.566  -3.254
   38   1HG2  VAL   4          2HG2      VAL   4  -1.744  -7.001  -0.628
   39   2HG2  VAL   4          3HG2      VAL   4  -3.120  -5.956  -0.972
   40   3HG2  VAL   4          1HG2      VAL   4  -2.644  -7.197  -2.129
   41    QG1  VAL   4           QG1      VAL   4   0.110  -6.431  -2.863
   42    QG2  VAL   4           QG2      VAL   4  -2.503  -6.718  -1.243
   43    QQG  VAL   4           QQG      VAL   4  -1.196  -6.575  -2.053
   44    H    ILE   5           HN       ILE   5   1.686  -4.276  -1.274
   45    HA   ILE   5           HA       ILE   5   1.658  -1.820  -2.999
   46    HB   ILE   5           HB       ILE   5   3.935  -2.777  -1.234
   47   1HG1  ILE   5          2HG1      ILE   5   1.940  -2.323   0.203
   48   2HG1  ILE   5          3HG1      ILE   5   3.273  -1.229   0.509
   49   1HG2  ILE   5          3HG2      ILE   5   3.298  -0.104  -2.520
   50   2HG2  ILE   5          1HG2      ILE   5   4.678  -0.421  -1.476
   51   3HG2  ILE   5          2HG2      ILE   5   4.541  -1.242  -3.028
   52   1HD1  ILE   5          3HD1      ILE   5   2.175   0.506  -0.877
   53   2HD1  ILE   5          1HD1      ILE   5   0.832  -0.594  -1.178
   54   3HD1  ILE   5          2HD1      ILE   5   1.140   0.000   0.450
   55    QG1  ILE   5           QG1      ILE   5   2.607  -1.776   0.356
   56    QG2  ILE   5           QG2      ILE   5   4.172  -0.589  -2.341
   57    QD1  ILE   5           QD1      ILE   5   1.382  -0.030  -0.535
   58    H    PHE   6           HN       PHE   6   2.057  -2.514  -5.086
   59    HA   PHE   6           HA       PHE   6   3.777  -4.903  -5.524
   60   1HB   PHE   6          2HB       PHE   6   2.232  -3.166  -7.506
   61   2HB   PHE   6          3HB       PHE   6   3.044  -4.677  -7.892
   62    HD1  PHE   6          2HD       PHE   6   0.365  -3.265  -5.695
   63    HD2  PHE   6          1HD       PHE   6   1.853  -6.734  -7.671
   64    HE1  PHE   6          2HE       PHE   6  -1.638  -4.510  -5.025
   65    HE2  PHE   6          1HE       PHE   6  -0.179  -7.957  -7.029
   66    HZ   PHE   6           HZ       PHE   6  -1.925  -6.855  -5.713
   67    QB   PHE   6           QB       PHE   6   2.638  -3.922  -7.699
   68    QR   PHE   6           QR       PHE   6   0.100  -5.617  -6.355
   69    H    GLY   7           HN       GLY   7   5.811  -4.064  -4.972
   70   1HA   GLY   7          1HA       GLY   7   6.809  -1.817  -6.710
   71   2HA   GLY   7          2HA       GLY   7   7.325  -2.021  -5.042
   72    QA   GLY   7           QA       GLY   7   7.067  -1.919  -5.876
   73    NH1  ARG   8           NH1      ARG   8  10.500  -7.663  -8.679
   74    NH2  ARG   8           NH2      ARG   8  12.515  -8.209  -7.764
   75    H    ARG   8           HN       ARG   8   9.535  -2.056  -6.023
   76    HA   ARG   8           HA       ARG   8  10.149  -4.796  -7.055
   77   1HB   ARG   8          2HB       ARG   8  10.478  -2.455  -8.496
   78   2HB   ARG   8          3HB       ARG   8  12.086  -2.698  -7.829
   79   1HG   ARG   8          2HG       ARG   8  10.516  -4.842  -9.292
   80   2HG   ARG   8          3HG       ARG   8  11.746  -3.837 -10.046
   81   1HD   ARG   8          2HD       ARG   8  13.492  -4.827  -8.828
   82   2HD   ARG   8          3HD       ARG   8  12.431  -5.340  -7.523
   83    HE   ARG   8           HE       ARG   8  12.688  -6.720 -10.153
   84   1HH1  ARG   8          2HH1      ARG   8   9.994  -7.091  -9.322
   85   2HH1  ARG   8          1HH1      ARG   8  10.006  -8.330  -8.096
   86   1HH2  ARG   8          2HH2      ARG   8  13.493  -8.028  -7.692
   87   2HH2  ARG   8          1HH2      ARG   8  12.095  -8.922  -7.192
   88    QB   ARG   8           QB       ARG   8  11.282  -2.577  -8.162
   89    QG   ARG   8           QG       ARG   8  11.131  -4.339  -9.669
   90    QD   ARG   8           QD       ARG   8  12.961  -5.084  -8.176
   91    QH1  ARG   8           QH1      ARG   8  10.000  -7.710  -8.709
   92    QH2  ARG   8           QH2      ARG   8  12.794  -8.475  -7.442
   93    H    SER   9           HN       SER   9  10.310  -5.171  -4.791
   94    HA   SER   9           HA       SER   9  11.397  -5.303  -2.705
   95   1HB   SER   9          2HB       SER   9  13.707  -6.452  -3.201
   96   2HB   SER   9          3HB       SER   9  12.226  -7.223  -3.798
   97    HG   SER   9           HG       SER   9  12.526  -6.355  -5.765
   98    QB   SER   9           QB       SER   9  12.966  -6.837  -3.499
   99    H    GLY  10           HN       GLY  10  14.242  -4.350  -4.587
  100   1HA   GLY  10          1HA       GLY  10  14.966  -2.552  -2.309
  101   2HA   GLY  10          2HA       GLY  10  16.120  -3.268  -3.416
  102    QA   GLY  10           QA       GLY  10  15.543  -2.910  -2.862
  103    H    CYS  11           HN       CYS  11  13.152  -1.462  -4.115
  104    HA   CYS  11           HA       CYS  11  14.865   0.560  -5.490
  105   1HB   CYS  11          2HB       CYS  11  12.618   1.051  -6.708
  106   2HB   CYS  11          3HB       CYS  11  13.602  -0.300  -7.202
  107    QB   CYS  11           QB       CYS  11  13.110   0.376  -6.955
  108    HA   PRO  12           HA       PRO  12  13.841   2.861  -1.895
  109   1HB   PRO  12          2HB       PRO  12  14.305   5.423  -3.031
  110   2HB   PRO  12          3HB       PRO  12  15.483   4.420  -2.181
  111   1HG   PRO  12          2HG       PRO  12  15.099   4.798  -5.128
  112   2HG   PRO  12          3HG       PRO  12  16.578   4.419  -4.236
  113   1HD   PRO  12          2HD       PRO  12  15.206   2.551  -5.714
  114   2HD   PRO  12          3HD       PRO  12  16.157   2.115  -4.277
  115    QB   PRO  12           QB       PRO  12  14.894   4.921  -2.606
  116    QG   PRO  12           QG       PRO  12  15.839   4.608  -4.682
  117    QD   PRO  12           QD       PRO  12  15.682   2.333  -4.996
  118    OH   TYR  13           OH       TYR  13   6.007   8.903  -6.394
  119    H    TYR  13           HN       TYR  13  12.687   4.432  -4.887
  120    HA   TYR  13           HA       TYR  13  10.478   5.781  -3.769
  121   1HB   TYR  13          2HB       TYR  13  11.363   5.868  -6.212
  122   2HB   TYR  13          3HB       TYR  13  10.318   4.483  -6.507
  123    HD1  TYR  13           HD2      TYR  13   9.971   7.696  -4.575
  124    HD2  TYR  13           HD1      TYR  13   8.280   5.145  -7.536
  125    HE1  TYR  13           HE2      TYR  13   8.076   9.217  -4.795
  126    HE2  TYR  13           HE1      TYR  13   6.380   6.679  -7.755
  127    HH   TYR  13           HH       TYR  13   6.231   9.730  -5.959
  128    QB   TYR  13           QB       TYR  13  10.840   5.175  -6.359
  129    QR   TYR  13           QR       TYR  13   8.177   7.184  -6.166
  130    H    CYS  14           HN       CYS  14  10.714   2.410  -4.840
  131    HA   CYS  14           HA       CYS  14   7.935   1.776  -4.531
  132   1HB   CYS  14          2HB       CYS  14  10.208  -0.123  -4.013
  133   2HB   CYS  14          3HB       CYS  14   8.588  -0.508  -4.515
  134    QB   CYS  14           QB       CYS  14   9.398  -0.315  -4.264
  135    H    VAL  15           HN       VAL  15  10.672   1.273  -2.388
  136    HA   VAL  15           HA       VAL  15   9.326   0.172  -0.181
  137    HB   VAL  15           HB       VAL  15  11.767   1.971  -0.177
  138   1HG1  VAL  15          3HG1      VAL  15  10.745  -0.016   1.901
  139   2HG1  VAL  15          1HG1      VAL  15  12.264   0.864   1.989
  140   3HG1  VAL  15          2HG1      VAL  15  10.740   1.732   2.092
  141   1HG2  VAL  15          2HG2      VAL  15  11.414  -1.054  -0.256
  142   2HG2  VAL  15          3HG2      VAL  15  11.942  -0.053  -1.603
  143   3HG2  VAL  15          1HG2      VAL  15  12.958  -0.210  -0.174
  144    QG1  VAL  15           QG1      VAL  15  11.250   0.860   1.994
  145    QG2  VAL  15           QG2      VAL  15  12.104  -0.439  -0.678
  146    QQG  VAL  15           QQG      VAL  15  11.677   0.211   0.658
  147    NH1  ARG  16           NH1      ARG  16   7.103   6.871   2.698
  148    NH2  ARG  16           NH2      ARG  16   9.082   6.922   3.792
  149    H    ARG  16           HN       ARG  16   9.857   3.616  -0.915
  150    HA   ARG  16           HA       ARG  16   8.903   4.827   1.385
  151   1HB   ARG  16          2HB       ARG  16   8.300   5.552  -1.489
  152   2HB   ARG  16          3HB       ARG  16   7.721   6.537  -0.156
  153   1HG   ARG  16          2HG       ARG  16  10.628   5.847  -0.715
  154   2HG   ARG  16          3HG       ARG  16   9.870   7.405  -1.009
  155   1HD   ARG  16          2HD       ARG  16  10.401   6.069   1.667
  156   2HD   ARG  16          3HD       ARG  16  10.994   7.623   1.098
  157    HE   ARG  16           HE       ARG  16   8.625   8.472   1.273
  158   1HH1  ARG  16          2HH1      ARG  16   6.568   7.044   1.864
  159   2HH1  ARG  16          1HH1      ARG  16   6.658   6.476   3.514
  160   1HH2  ARG  16          2HH2      ARG  16  10.058   7.119   3.786
  161   2HH2  ARG  16          1HH2      ARG  16   8.648   6.563   4.626
  162    QB   ARG  16           QB       ARG  16   8.010   6.045  -0.822
  163    QG   ARG  16           QG       ARG  16  10.249   6.626  -0.862
  164    QD   ARG  16           QD       ARG  16  10.697   6.846   1.382
  165    QH1  ARG  16           QH1      ARG  16   6.613   6.760   2.689
  166    QH2  ARG  16           QH2      ARG  16   9.353   6.841   4.206
  167    H    ALA  17           HN       ALA  17   6.869   3.298  -1.056
  168    HA   ALA  17           HA       ALA  17   4.362   4.002   0.208
  169   1HB   ALA  17          1HB       ALA  17   5.082   1.684  -1.620
  170   2HB   ALA  17          2HB       ALA  17   3.442   2.204  -1.241
  171   3HB   ALA  17          3HB       ALA  17   4.515   3.266  -2.145
  172    QB   ALA  17           QB       ALA  17   4.346   2.385  -1.669
  173    H    LYS  18           HN       LYS  18   6.559   1.235   0.449
  174    HA   LYS  18           HA       LYS  18   4.884  -0.329   2.195
  175   1HB   LYS  18          2HB       LYS  18   6.656  -1.480   1.101
  176   2HB   LYS  18          3HB       LYS  18   7.850  -0.286   1.597
  177   1HG   LYS  18          2HG       LYS  18   6.375  -1.680   3.783
  178   2HG   LYS  18          3HG       LYS  18   7.546  -2.638   2.893
  179   1HD   LYS  18          2HD       LYS  18   9.314  -1.081   3.370
  180   2HD   LYS  18          3HD       LYS  18   8.205   0.094   4.039
  181   1HE   LYS  18          2HE       LYS  18   8.589  -2.678   5.209
  182   2HE   LYS  18          3HE       LYS  18   9.406  -1.234   5.805
  183   1HZ   LYS  18          3HZ       LYS  18   6.659  -0.670   5.541
  184   2HZ   LYS  18          1HZ       LYS  18   6.812  -2.113   6.419
  185   3HZ   LYS  18          2HZ       LYS  18   7.612  -0.717   6.957
  186    QB   LYS  18           QB       LYS  18   7.253  -0.883   1.349
  187    QG   LYS  18           QG       LYS  18   6.960  -2.159   3.338
  188    QD   LYS  18           QD       LYS  18   8.760  -0.493   3.704
  189    QE   LYS  18           QE       LYS  18   8.998  -1.956   5.507
  190    QZ   LYS  18           QZ       LYS  18   7.027  -1.167   6.306
  191    H    ASP  19           HN       ASP  19   7.358   2.101   2.699
  192    HA   ASP  19           HA       ASP  19   7.428   2.050   5.550
  193   1HB   ASP  19          2HB       ASP  19   9.089   3.475   4.610
  194   2HB   ASP  19          3HB       ASP  19   7.931   4.264   3.542
  195    QB   ASP  19           QB       ASP  19   8.510   3.869   4.076
  196    H    LEU  20           HN       LEU  20   5.629   4.193   3.351
  197    HA   LEU  20           HA       LEU  20   4.014   5.438   5.234
  198   1HB   LEU  20          2HB       LEU  20   3.968   6.026   2.838
  199   2HB   LEU  20          3HB       LEU  20   3.193   4.495   2.462
  200    HG   LEU  20           HG       LEU  20   1.189   5.126   3.689
  201   1HD1  LEU  20          2HD1      LEU  20   2.715   7.644   4.476
  202   2HD1  LEU  20          3HD1      LEU  20   1.006   7.353   4.789
  203   3HD1  LEU  20          1HD1      LEU  20   2.220   6.354   5.572
  204   1HD2  LEU  20          2HD2      LEU  20   2.202   7.446   2.002
  205   2HD2  LEU  20          3HD2      LEU  20   1.397   6.008   1.390
  206   3HD2  LEU  20          1HD2      LEU  20   0.515   7.142   2.404
  207    QB   LEU  20           QB       LEU  20   3.580   5.260   2.650
  208    QD1  LEU  20           QD1      LEU  20   1.981   7.117   4.946
  209    QD2  LEU  20           QD2      LEU  20   1.371   6.865   1.932
  210    QQD  LEU  20           QQD      LEU  20   1.676   6.991   3.439
  211    H    ALA  21           HN       ALA  21   3.171   2.454   3.455
  212    HA   ALA  21           HA       ALA  21   0.832   1.746   4.750
  213   1HB   ALA  21          2HB       ALA  21   3.104  -0.169   4.073
  214   2HB   ALA  21          3HB       ALA  21   1.431  -0.631   4.371
  215   3HB   ALA  21          1HB       ALA  21   1.836   0.339   2.960
  216    QB   ALA  21           QB       ALA  21   2.124  -0.154   3.801
  217    H    GLU  22           HN       GLU  22   4.142   1.019   5.817
  218    HA   GLU  22           HA       GLU  22   3.486  -0.224   8.264
  219   1HB   GLU  22          2HB       GLU  22   5.735  -0.049   7.147
  220   2HB   GLU  22          3HB       GLU  22   5.849   1.603   7.722
  221   1HG   GLU  22          2HG       GLU  22   6.648   0.815   9.657
  222   2HG   GLU  22          3HG       GLU  22   5.092   0.065   9.970
  223    QB   GLU  22           QB       GLU  22   5.792   0.777   7.435
  224    QG   GLU  22           QG       GLU  22   5.870   0.440   9.814
  225    H    LYS  23           HN       LYS  23   4.299   3.145   7.618
  226    HA   LYS  23           HA       LYS  23   3.984   4.243  10.183
  227   1HB   LYS  23          2HB       LYS  23   4.759   5.309   7.917
  228   2HB   LYS  23          3HB       LYS  23   3.064   5.684   7.680
  229   1HG   LYS  23          2HG       LYS  23   3.515   6.528  10.294
  230   2HG   LYS  23          3HG       LYS  23   5.040   6.901   9.507
  231   1HD   LYS  23          2HD       LYS  23   3.681   8.857   9.225
  232   2HD   LYS  23          3HD       LYS  23   3.691   8.047   7.664
  233   1HE   LYS  23          2HE       LYS  23   1.395   8.759   8.306
  234   2HE   LYS  23          3HE       LYS  23   1.500   7.006   8.179
  235   1HZ   LYS  23          2HZ       LYS  23   2.209   7.874  10.788
  236   2HZ   LYS  23          3HZ       LYS  23   0.664   8.434  10.405
  237   3HZ   LYS  23          1HZ       LYS  23   1.027   6.775  10.325
  238    QB   LYS  23           QB       LYS  23   3.911   5.496   7.799
  239    QG   LYS  23           QG       LYS  23   4.277   6.715   9.900
  240    QD   LYS  23           QD       LYS  23   3.686   8.452   8.445
  241    QE   LYS  23           QE       LYS  23   1.448   7.883   8.243
  242    QZ   LYS  23           QZ       LYS  23   1.300   7.694  10.506
  243    H    LEU  24           HN       LEU  24   1.620   2.998   8.064
  244    HA   LEU  24           HA       LEU  24  -0.601   4.274   9.576
  245   1HB   LEU  24          2HB       LEU  24  -0.663   2.412   7.162
  246   2HB   LEU  24          3HB       LEU  24  -2.068   3.187   7.880
  247    HG   LEU  24           HG       LEU  24   0.316   4.698   6.734
  248   1HD1  LEU  24          1HD1      LEU  24  -0.956   3.490   4.986
  249   2HD1  LEU  24          2HD1      LEU  24  -2.453   4.198   5.579
  250   3HD1  LEU  24          3HD1      LEU  24  -1.217   5.225   4.858
  251   1HD2  LEU  24          1HD2      LEU  24  -2.438   5.620   7.660
  252   2HD2  LEU  24          2HD2      LEU  24  -0.919   5.951   8.478
  253   3HD2  LEU  24          3HD2      LEU  24  -1.234   6.649   6.897
  254    QB   LEU  24           QB       LEU  24  -1.365   2.799   7.521
  255    QD1  LEU  24           QD1      LEU  24  -1.542   4.304   5.141
  256    QD2  LEU  24           QD2      LEU  24  -1.530   6.073   7.678
  257    QQD  LEU  24           QQD      LEU  24  -1.536   5.189   6.410
  258    H    SER  25           HN       SER  25   0.450   1.014   8.634
  259    HA   SER  25           HA       SER  25  -1.277  -0.583  10.084
  260   1HB   SER  25          2HB       SER  25   1.722  -0.922   9.721
  261   2HB   SER  25          3HB       SER  25   0.658  -2.193  10.355
  262    HG   SER  25           HG       SER  25  -0.650  -1.884   8.484
  263    QB   SER  25           QB       SER  25   1.190  -1.557  10.038
  264    H    ASN  26           HN       ASN  26   1.432   1.232  11.387
  265    HA   ASN  26           HA       ASN  26   0.767   0.186  14.101
  266   1HB   ASN  26          2HB       ASN  26   3.192   1.666  13.042
  267   2HB   ASN  26          3HB       ASN  26   3.009   1.082  14.696
  268   1HD2  ASN  26          2HD2      ASN  26   3.856  -1.537  11.712
  269   2HD2  ASN  26          1HD2      ASN  26   3.560   0.102  11.384
  270    QB   ASN  26           QB       ASN  26   3.101   1.374  13.869
  271    QD2  ASN  26           QD2      ASN  26   3.708  -0.718  11.548
  272    H    GLU  27           HN       GLU  27  -0.629   2.503  12.638
  273    HA   GLU  27           HA       GLU  27  -0.483   4.379  14.945
  274   1HB   GLU  27          2HB       GLU  27  -0.238   4.964  12.020
  275   2HB   GLU  27          3HB       GLU  27  -1.136   6.110  13.001
  276   1HG   GLU  27          2HG       GLU  27   0.827   6.186  14.594
  277   2HG   GLU  27          3HG       GLU  27   1.717   5.167  13.474
  278    QB   GLU  27           QB       GLU  27  -0.687   5.537  12.510
  279    QG   GLU  27           QG       GLU  27   1.272   5.677  14.034
  280    NH1  ARG  28           NH1      ARG  28  -9.304   5.764  10.636
  281    NH2  ARG  28           NH2      ARG  28  -8.640   7.930  10.589
  282    H    ARG  28           HN       ARG  28  -2.373   2.795  12.504
  283    HA   ARG  28           HA       ARG  28  -4.847   3.743  13.909
  284   1HB   ARG  28          2HB       ARG  28  -4.239   4.408  11.362
  285   2HB   ARG  28          3HB       ARG  28  -4.985   2.846  11.051
  286   1HG   ARG  28          2HG       ARG  28  -7.057   3.665  11.440
  287   2HG   ARG  28          3HG       ARG  28  -6.567   4.376  12.972
  288   1HD   ARG  28          2HD       ARG  28  -5.443   6.235  11.535
  289   2HD   ARG  28          3HD       ARG  28  -6.411   5.601  10.201
  290    HE   ARG  28           HE       ARG  28  -7.568   6.673  12.756
  291   1HH1  ARG  28          2HH1      ARG  28  -9.181   4.833  10.993
  292   2HH1  ARG  28          1HH1      ARG  28 -10.036   5.964   9.972
  293   1HH2  ARG  28          2HH2      ARG  28  -7.962   8.644  10.808
  294   2HH2  ARG  28          1HH2      ARG  28  -9.420   8.165  10.009
  295    QB   ARG  28           QB       ARG  28  -4.612   3.627  11.207
  296    QG   ARG  28           QG       ARG  28  -6.812   4.020  12.206
  297    QD   ARG  28           QD       ARG  28  -5.927   5.918  10.868
  298    QH1  ARG  28           QH1      ARG  28  -9.608   5.399  10.482
  299    QH2  ARG  28           QH2      ARG  28  -8.691   8.405  10.408
  300    H    ASP  29           HN       ASP  29  -6.639   1.940  12.594
  301    HA   ASP  29           HA       ASP  29  -5.670  -0.682  13.523
  302   1HB   ASP  29          2HB       ASP  29  -7.381   0.516  15.037
  303   2HB   ASP  29          3HB       ASP  29  -8.519   0.351  13.714
  304    QB   ASP  29           QB       ASP  29  -7.950   0.434  14.376
  305    H    ASP  30           HN       ASP  30  -7.397  -2.211  12.573
  306    HA   ASP  30           HA       ASP  30  -7.806  -3.494  10.625
  307   1HB   ASP  30          2HB       ASP  30  -9.894  -2.201  10.860
  308   2HB   ASP  30          3HB       ASP  30  -9.199  -0.895   9.906
  309    QB   ASP  30           QB       ASP  30  -9.547  -1.548  10.383
  310    H    PHE  31           HN       PHE  31  -5.211  -2.009  10.481
  311    HA   PHE  31           HA       PHE  31  -5.172  -1.812   7.492
  312   1HB   PHE  31          2HB       PHE  31  -4.965   0.422   8.644
  313   2HB   PHE  31          3HB       PHE  31  -3.420  -0.129   9.293
  314    HD1  PHE  31          2HD       PHE  31  -5.264   0.651   6.161
  315    HD2  PHE  31          1HD       PHE  31  -1.497  -0.360   7.839
  316    HE1  PHE  31          2HE       PHE  31  -4.201   0.918   3.956
  317    HE2  PHE  31          1HE       PHE  31  -0.442  -0.123   5.656
  318    HZ   PHE  31           HZ       PHE  31  -1.783   0.541   3.707
  319    QB   PHE  31           QB       PHE  31  -4.192   0.147   8.968
  320    QR   PHE  31           QR       PHE  31  -2.851   0.271   5.903
  321    H    GLN  32           HN       GLN  32  -4.520  -3.960   7.281
  322    HA   GLN  32           HA       GLN  32  -1.762  -4.590   8.271
  323   1HB   GLN  32          2HB       GLN  32  -3.803  -6.432   6.945
  324   2HB   GLN  32          3HB       GLN  32  -2.281  -6.922   7.672
  325   1HG   GLN  32          2HG       GLN  32  -3.087  -6.307   9.896
  326   2HG   GLN  32          3HG       GLN  32  -4.563  -5.630   9.215
  327   1HE2  GLN  32          2HE2      GLN  32  -4.376  -9.583   9.916
  328   2HE2  GLN  32          1HE2      GLN  32  -3.160  -8.514  10.423
  329    QB   GLN  32           QB       GLN  32  -3.042  -6.677   7.308
  330    QG   GLN  32           QG       GLN  32  -3.825  -5.969   9.555
  331    QE2  GLN  32           QE2      GLN  32  -3.768  -9.048  10.169
  332    OH   TYR  33           OH       TYR  33   5.457  -3.077   6.834
  333    H    TYR  33           HN       TYR  33  -0.160  -4.938   6.608
  334    HA   TYR  33           HA       TYR  33  -1.158  -4.673   3.816
  335   1HB   TYR  33          2HB       TYR  33   0.504  -3.074   3.214
  336   2HB   TYR  33          3HB       TYR  33  -0.249  -2.460   4.680
  337    HD1  TYR  33           HD1      TYR  33   0.937  -3.013   6.929
  338    HD2  TYR  33           HD2      TYR  33   2.844  -3.413   3.154
  339    HE1  TYR  33           HE1      TYR  33   3.114  -2.921   8.033
  340    HE2  TYR  33           HE2      TYR  33   5.030  -3.363   4.250
  341    HH   TYR  33           HH       TYR  33   5.314  -3.073   7.804
  342    QB   TYR  33           QB       TYR  33   0.127  -2.767   3.947
  343    QR   TYR  33           QR       TYR  33   2.981  -3.177   5.591
  344    H    GLN  34           HN       GLN  34   0.171  -5.603   2.259
  345    HA   GLN  34           HA       GLN  34   2.254  -7.494   3.315
  346   1HB   GLN  34          2HB       GLN  34   0.000  -8.483   2.483
  347   2HB   GLN  34          3HB       GLN  34   0.511  -8.003   0.873
  348   1HG   GLN  34          2HG       GLN  34   2.506  -9.564   2.453
  349   2HG   GLN  34          3HG       GLN  34   1.071 -10.442   1.940
  350   1HE2  GLN  34          2HE2      GLN  34   2.556 -10.902  -1.240
  351   2HE2  GLN  34          1HE2      GLN  34   1.746 -11.601   0.084
  352    QB   GLN  34           QB       GLN  34   0.256  -8.243   1.678
  353    QG   GLN  34           QG       GLN  34   1.788 -10.003   2.197
  354    QE2  GLN  34           QE2      GLN  34   2.151 -11.251  -0.578
  355    OH   TYR  35           OH       TYR  35   9.583  -3.302  -2.512
  356    H    TYR  35           HN       TYR  35   4.178  -7.604   2.095
  357    HA   TYR  35           HA       TYR  35   4.494  -5.348   0.184
  358   1HB   TYR  35          2HB       TYR  35   6.159  -5.598   2.066
  359   2HB   TYR  35          3HB       TYR  35   6.666  -7.127   1.351
  360    HD1  TYR  35           HD1      TYR  35   7.476  -7.069  -1.128
  361    HD2  TYR  35           HD2      TYR  35   7.040  -3.566   1.221
  362    HE1  TYR  35           HE1      TYR  35   8.849  -5.817  -2.728
  363    HE2  TYR  35           HE2      TYR  35   8.480  -2.337  -0.337
  364    HH   TYR  35           HH       TYR  35  10.445  -3.160  -2.093
  365    QB   TYR  35           QB       TYR  35   6.413  -6.363   1.709
  366    QR   TYR  35           QR       TYR  35   7.961  -4.697  -0.743
  367    H    VAL  36           HN       VAL  36   4.336  -5.749  -1.881
  368    HA   VAL  36           HA       VAL  36   4.866  -8.502  -2.863
  369    HB   VAL  36           HB       VAL  36   2.967  -6.298  -3.716
  370   1HG1  VAL  36          2HG1      VAL  36   3.764  -8.785  -5.305
  371   2HG1  VAL  36          3HG1      VAL  36   2.431  -7.710  -5.704
  372   3HG1  VAL  36          1HG1      VAL  36   4.082  -7.120  -5.789
  373   1HG2  VAL  36          2HG2      VAL  36   2.692  -9.237  -3.056
  374   2HG2  VAL  36          3HG2      VAL  36   2.199  -7.885  -2.053
  375   3HG2  VAL  36          1HG2      VAL  36   1.372  -8.202  -3.571
  376    QG1  VAL  36           QG1      VAL  36   3.426  -7.872  -5.599
  377    QG2  VAL  36           QG2      VAL  36   2.088  -8.441  -2.893
  378    QQG  VAL  36           QQG      VAL  36   2.757  -8.157  -4.246
  379    H    ASP  37           HN       ASP  37   6.359  -8.784  -4.370
  380    HA   ASP  37           HA       ASP  37   7.873  -6.434  -5.470
  381   1HB   ASP  37          2HB       ASP  37   9.246  -7.638  -3.867
  382   2HB   ASP  37          3HB       ASP  37   8.798  -9.181  -4.563
  383    QB   ASP  37           QB       ASP  37   9.022  -8.410  -4.215
  384    H    ILE  38           HN       ILE  38   5.684  -7.342  -6.724
  385    HA   ILE  38           HA       ILE  38   4.762  -8.552  -8.508
  386    HB   ILE  38           HB       ILE  38   6.033  -7.677 -10.648
  387   1HG1  ILE  38          2HG1      ILE  38   7.132  -5.623  -8.756
  388   2HG1  ILE  38          3HG1      ILE  38   8.033  -7.104  -8.934
  389   1HG2  ILE  38          1HG2      ILE  38   3.913  -6.780  -9.731
  390   2HG2  ILE  38          2HG2      ILE  38   4.822  -5.801  -8.582
  391   3HG2  ILE  38          3HG2      ILE  38   4.951  -5.477 -10.311
  392   1HD1  ILE  38          1HD1      ILE  38   7.177  -5.301 -11.209
  393   2HD1  ILE  38          2HD1      ILE  38   8.806  -5.405 -10.556
  394   3HD1  ILE  38          3HD1      ILE  38   8.102  -6.787 -11.393
  395    QG1  ILE  38           QG1      ILE  38   7.583  -6.363  -8.845
  396    QG2  ILE  38           QG2      ILE  38   4.562  -6.019  -9.541
  397    QD1  ILE  38           QD1      ILE  38   8.028  -5.831 -11.053
  398    NH1  ARG  39           NH1      ARG  39  12.189 -14.734  -8.674
  399    NH2  ARG  39           NH2      ARG  39   9.948 -14.875  -8.228
  400    H    ARG  39           HN       ARG  39   8.134  -8.709  -9.411
  401    HA   ARG  39           HA       ARG  39   7.914 -11.172 -10.820
  402   1HB   ARG  39          2HB       ARG  39   9.749  -9.476 -11.081
  403   2HB   ARG  39          3HB       ARG  39  10.393  -9.979  -9.528
  404   1HG   ARG  39          2HG       ARG  39   9.897 -12.068 -11.639
  405   2HG   ARG  39          3HG       ARG  39  11.296 -11.024 -11.784
  406   1HD   ARG  39          2HD       ARG  39  12.379 -12.457 -10.395
  407   2HD   ARG  39          3HD       ARG  39  11.368 -11.832  -9.095
  408    HE   ARG  39           HE       ARG  39  10.035 -13.936 -10.620
  409   1HH1  ARG  39          2HH1      ARG  39  12.911 -14.390  -9.269
  410   2HH1  ARG  39          1HH1      ARG  39  12.427 -15.304  -7.889
  411   1HH2  ARG  39          2HH2      ARG  39   9.011 -14.566  -8.452
  412   2HH2  ARG  39          1HH2      ARG  39  10.084 -15.501  -7.459
  413    QB   ARG  39           QB       ARG  39  10.071  -9.727 -10.305
  414    QG   ARG  39           QG       ARG  39  10.597 -11.546 -11.711
  415    QD   ARG  39           QD       ARG  39  11.874 -12.145  -9.745
  416    QH1  ARG  39           QH1      ARG  39  12.669 -14.847  -8.579
  417    QH2  ARG  39           QH2      ARG  39   9.548 -15.034  -7.956
  418    H    ALA  40           HN       ALA  40   9.211 -10.496  -7.539
  419    HA   ALA  40           HA       ALA  40   9.978 -13.019  -6.725
  420   1HB   ALA  40          1HB       ALA  40   8.273 -11.111  -5.096
  421   2HB   ALA  40          2HB       ALA  40   9.175 -12.472  -4.438
  422   3HB   ALA  40          3HB       ALA  40  10.031 -11.119  -5.170
  423    QB   ALA  40           QB       ALA  40   9.160 -11.568  -4.901
  424    H    GLU  41           HN       GLU  41   6.628 -11.804  -6.643
  425    HA   GLU  41           HA       GLU  41   5.561 -14.409  -5.882
  426   1HB   GLU  41          2HB       GLU  41   4.132 -11.947  -6.975
  427   2HB   GLU  41          3HB       GLU  41   3.342 -13.341  -6.254
  428   1HG   GLU  41          2HG       GLU  41   4.845 -12.856  -4.172
  429   2HG   GLU  41          3HG       GLU  41   5.114 -11.285  -4.909
  430    QB   GLU  41           QB       GLU  41   3.737 -12.644  -6.614
  431    QG   GLU  41           QG       GLU  41   4.980 -12.070  -4.541
  432    H    GLY  42           HN       GLY  42   5.706 -12.549  -8.875
  433   1HA   GLY  42          1HA       GLY  42   6.180 -13.923 -10.940
  434   2HA   GLY  42          2HA       GLY  42   4.921 -15.019 -10.378
  435    QA   GLY  42           QA       GLY  42   5.551 -14.471 -10.659
  436    H    ILE  43           HN       ILE  43   4.705 -11.558 -10.092
  437    HA   ILE  43           HA       ILE  43   2.329 -11.569 -11.866
  438    HB   ILE  43           HB       ILE  43   3.375  -9.486  -9.902
  439   1HG1  ILE  43          2HG1      ILE  43   1.056 -11.437  -9.634
  440   2HG1  ILE  43          3HG1      ILE  43   2.632 -11.679  -8.896
  441   1HG2  ILE  43          2HG2      ILE  43   1.962  -8.544 -11.730
  442   2HG2  ILE  43          3HG2      ILE  43   0.699  -9.703 -11.328
  443   3HG2  ILE  43          1HG2      ILE  43   1.148  -8.457 -10.175
  444   1HD1  ILE  43          3HD1      ILE  43   2.364  -9.551  -7.638
  445   2HD1  ILE  43          1HD1      ILE  43   0.769  -9.347  -8.355
  446   3HD1  ILE  43          2HD1      ILE  43   1.076 -10.694  -7.269
  447    QG1  ILE  43           QG1      ILE  43   1.844 -11.558  -9.265
  448    QG2  ILE  43           QG2      ILE  43   1.269  -8.901 -11.078
  449    QD1  ILE  43           QD1      ILE  43   1.403  -9.864  -7.754
  450    H    THR  44           HN       THR  44   2.159 -10.005 -13.532
  451    HA   THR  44           HA       THR  44   4.761  -8.844 -14.436
  452    HB   THR  44           HB       THR  44   4.030  -9.408 -16.751
  453    HG1  THR  44          1HG       THR  44   2.025 -10.148 -16.997
  454   1HG2  THR  44          3HG2      THR  44   5.212 -11.174 -15.341
  455   2HG2  THR  44          1HG2      THR  44   3.625 -11.758 -14.845
  456   3HG2  THR  44          2HG2      THR  44   4.111 -11.855 -16.536
  457    QG2  THR  44           QG2      THR  44   4.316 -11.596 -15.574
  458    H    LYS  45           HN       LYS  45   4.089  -7.315 -16.514
  459    HA   LYS  45           HA       LYS  45   2.562  -5.127 -15.245
  460   1HB   LYS  45          2HB       LYS  45   4.053  -5.249 -17.885
  461   2HB   LYS  45          3HB       LYS  45   3.306  -3.802 -17.213
  462   1HG   LYS  45          2HG       LYS  45   4.742  -4.279 -15.102
  463   2HG   LYS  45          3HG       LYS  45   5.663  -5.364 -16.129
  464   1HD   LYS  45          2HD       LYS  45   5.223  -2.391 -16.632
  465   2HD   LYS  45          3HD       LYS  45   6.700  -3.116 -16.030
  466   1HE   LYS  45          2HE       LYS  45   7.156  -2.887 -18.321
  467   2HE   LYS  45          3HE       LYS  45   6.625  -4.561 -18.208
  468   1HZ   LYS  45          2HZ       LYS  45   4.366  -2.938 -18.578
  469   2HZ   LYS  45          3HZ       LYS  45   5.522  -2.505 -19.748
  470   3HZ   LYS  45          1HZ       LYS  45   4.998  -4.116 -19.613
  471    QB   LYS  45           QB       LYS  45   3.679  -4.525 -17.549
  472    QG   LYS  45           QG       LYS  45   5.203  -4.821 -15.615
  473    QD   LYS  45           QD       LYS  45   5.961  -2.754 -16.331
  474    QE   LYS  45           QE       LYS  45   6.890  -3.724 -18.265
  475    QZ   LYS  45           QZ       LYS  45   4.962  -3.187 -19.313
  476    H    GLU  46           HN       GLU  46   1.732  -7.744 -16.952
  477    HA   GLU  46           HA       GLU  46  -0.428  -6.392 -18.508
  478   1HB   GLU  46          2HB       GLU  46   0.188  -9.368 -18.513
  479   2HB   GLU  46          3HB       GLU  46  -0.650  -8.433 -19.743
  480   1HG   GLU  46          2HG       GLU  46   1.486  -8.716 -20.711
  481   2HG   GLU  46          3HG       GLU  46   1.638  -7.134 -19.953
  482    QB   GLU  46           QB       GLU  46  -0.231  -8.901 -19.128
  483    QG   GLU  46           QG       GLU  46   1.562  -7.925 -20.332
  484    H    ASP  47           HN       ASP  47   0.263  -8.937 -16.140
  485    HA   ASP  47           HA       ASP  47  -2.360  -9.610 -15.346
  486   1HB   ASP  47          2HB       ASP  47  -0.233 -10.721 -14.568
  487   2HB   ASP  47          3HB       ASP  47   0.113  -9.312 -13.584
  488    QB   ASP  47           QB       ASP  47  -0.060 -10.017 -14.076
  489    H    LEU  48           HN       LEU  48  -0.173  -7.238 -13.890
  490    HA   LEU  48           HA       LEU  48  -1.880  -6.075 -12.027
  491   1HB   LEU  48          2HB       LEU  48   0.319  -4.838 -13.710
  492   2HB   LEU  48          3HB       LEU  48  -0.477  -3.966 -12.403
  493    HG   LEU  48           HG       LEU  48   0.769  -6.707 -12.010
  494   1HD1  LEU  48          2HD1      LEU  48   2.509  -5.109 -12.763
  495   2HD1  LEU  48          3HD1      LEU  48   2.024  -3.987 -11.495
  496   3HD1  LEU  48          1HD1      LEU  48   2.726  -5.543 -11.073
  497   1HD2  LEU  48          3HD2      LEU  48   0.025  -4.476 -10.073
  498   2HD2  LEU  48          1HD2      LEU  48  -0.885  -5.963 -10.302
  499   3HD2  LEU  48          2HD2      LEU  48   0.734  -6.023  -9.628
  500    QB   LEU  48           QB       LEU  48  -0.079  -4.402 -13.057
  501    QD1  LEU  48           QD1      LEU  48   2.420  -4.879 -11.777
  502    QD2  LEU  48           QD2      LEU  48  -0.042  -5.487 -10.001
  503    QQD  LEU  48           QQD      LEU  48   1.189  -5.183 -10.889
  504    H    GLN  49           HN       GLN  49  -1.754  -5.338 -15.520
  505    HA   GLN  49           HA       GLN  49  -3.327  -3.022 -15.599
  506   1HB   GLN  49          2HB       GLN  49  -2.402  -4.250 -17.586
  507   2HB   GLN  49          3HB       GLN  49  -3.637  -5.478 -17.374
  508   1HG   GLN  49          2HG       GLN  49  -4.424  -2.583 -17.695
  509   2HG   GLN  49          3HG       GLN  49  -4.053  -3.584 -19.089
  510   1HE2  GLN  49          2HE2      GLN  49  -7.583  -4.042 -17.188
  511   2HE2  GLN  49          1HE2      GLN  49  -6.443  -2.901 -16.673
  512    QB   GLN  49           QB       GLN  49  -3.019  -4.864 -17.480
  513    QG   GLN  49           QG       GLN  49  -4.238  -3.083 -18.392
  514    QE2  GLN  49           QE2      GLN  49  -7.013  -3.471 -16.930
  515    H    GLN  50           HN       GLN  50  -4.419  -6.330 -15.523
  516    HA   GLN  50           HA       GLN  50  -7.174  -6.203 -15.493
  517   1HB   GLN  50          2HB       GLN  50  -5.648  -8.229 -15.353
  518   2HB   GLN  50          3HB       GLN  50  -5.497  -7.910 -13.631
  519   1HG   GLN  50          2HG       GLN  50  -8.035  -8.052 -13.482
  520   2HG   GLN  50          3HG       GLN  50  -8.024  -8.632 -15.144
  521   1HE2  GLN  50          2HE2      GLN  50  -5.756 -11.218 -13.034
  522   2HE2  GLN  50          1HE2      GLN  50  -5.194  -9.661 -13.409
  523    QB   GLN  50           QB       GLN  50  -5.573  -8.070 -14.492
  524    QG   GLN  50           QG       GLN  50  -8.029  -8.342 -14.313
  525    QE2  GLN  50           QE2      GLN  50  -5.475 -10.440 -13.221
  526    H    LYS  51           HN       LYS  51  -5.119  -5.948 -12.650
  527    HA   LYS  51           HA       LYS  51  -7.428  -5.313 -10.913
  528   1HB   LYS  51          2HB       LYS  51  -4.547  -6.041 -10.536
  529   2HB   LYS  51          3HB       LYS  51  -5.378  -5.230  -9.228
  530   1HG   LYS  51          2HG       LYS  51  -7.248  -7.040  -9.577
  531   2HG   LYS  51          3HG       LYS  51  -6.047  -7.883 -10.538
  532   1HD   LYS  51          2HD       LYS  51  -6.129  -8.621  -8.120
  533   2HD   LYS  51          3HD       LYS  51  -4.546  -8.103  -8.675
  534   1HE   LYS  51          2HE       LYS  51  -5.405  -7.219  -6.374
  535   2HE   LYS  51          3HE       LYS  51  -4.640  -6.078  -7.471
  536   1HZ   LYS  51          2HZ       LYS  51  -7.430  -6.287  -7.988
  537   2HZ   LYS  51          3HZ       LYS  51  -7.182  -5.876  -6.360
  538   3HZ   LYS  51          1HZ       LYS  51  -6.529  -4.907  -7.598
  539    QB   LYS  51           QB       LYS  51  -4.963  -5.636  -9.882
  540    QG   LYS  51           QG       LYS  51  -6.647  -7.462 -10.058
  541    QD   LYS  51           QD       LYS  51  -5.338  -8.362  -8.398
  542    QE   LYS  51           QE       LYS  51  -5.022  -6.649  -6.922
  543    QZ   LYS  51           QZ       LYS  51  -7.047  -5.690  -7.315
  544    H    ALA  52           HN       ALA  52  -4.758  -3.670 -12.324
  545    HA   ALA  52           HA       ALA  52  -4.755  -1.367 -10.606
  546   1HB   ALA  52          3HB       ALA  52  -2.774  -2.078 -11.892
  547   2HB   ALA  52          1HB       ALA  52  -3.630  -1.767 -13.396
  548   3HB   ALA  52          2HB       ALA  52  -3.229  -0.433 -12.317
  549    QB   ALA  52           QB       ALA  52  -3.211  -1.426 -12.535
  550    H    GLY  53           HN       GLY  53  -5.965  -1.884 -13.931
  551   1HA   GLY  53          1HA       GLY  53  -7.767  -0.717 -14.977
  552   2HA   GLY  53          2HA       GLY  53  -8.010   0.180 -13.473
  553    QA   GLY  53           QA       GLY  53  -7.889  -0.268 -14.225
  554    H    LYS  54           HN       LYS  54  -5.270   0.945 -13.244
  555    HA   LYS  54           HA       LYS  54  -5.211   3.301 -14.991
  556   1HB   LYS  54          2HB       LYS  54  -4.008   2.430 -12.440
  557   2HB   LYS  54          3HB       LYS  54  -2.844   3.238 -13.469
  558   1HG   LYS  54          2HG       LYS  54  -4.573   5.135 -13.693
  559   2HG   LYS  54          3HG       LYS  54  -5.450   4.348 -12.381
  560   1HD   LYS  54          2HD       LYS  54  -3.449   4.480 -10.944
  561   2HD   LYS  54          3HD       LYS  54  -2.521   5.181 -12.253
  562   1HE   LYS  54          2HE       LYS  54  -4.006   7.160 -12.260
  563   2HE   LYS  54          3HE       LYS  54  -4.955   6.454 -10.953
  564   1HZ   LYS  54          3HZ       LYS  54  -2.323   6.359 -10.094
  565   2HZ   LYS  54          1HZ       LYS  54  -2.515   7.890 -10.802
  566   3HZ   LYS  54          2HZ       LYS  54  -3.544   7.411  -9.541
  567    QB   LYS  54           QB       LYS  54  -3.426   2.834 -12.955
  568    QG   LYS  54           QG       LYS  54  -5.012   4.741 -13.037
  569    QD   LYS  54           QD       LYS  54  -2.985   4.831 -11.599
  570    QE   LYS  54           QE       LYS  54  -4.480   6.807 -11.606
  571    QZ   LYS  54           QZ       LYS  54  -2.794   7.220 -10.146
  572    HA   PRO  55           HA       PRO  55  -1.390   1.865 -17.204
  573   1HB   PRO  55          2HB       PRO  55  -0.053   4.292 -16.104
  574   2HB   PRO  55          3HB       PRO  55  -0.186   3.755 -17.780
  575   1HG   PRO  55          2HG       PRO  55  -1.631   5.859 -16.817
  576   2HG   PRO  55          3HG       PRO  55  -2.265   4.794 -18.079
  577   1HD   PRO  55          2HD       PRO  55  -2.957   4.883 -15.156
  578   2HD   PRO  55          3HD       PRO  55  -3.985   4.459 -16.540
  579    QB   PRO  55           QB       PRO  55  -0.120   4.024 -16.942
  580    QG   PRO  55           QG       PRO  55  -1.948   5.326 -17.448
  581    QD   PRO  55           QD       PRO  55  -3.471   4.671 -15.848
  582    H    VAL  56           HN       VAL  56  -0.098   0.342 -16.361
  583    HA   VAL  56           HA       VAL  56   0.403   0.195 -13.493
  584    HB   VAL  56           HB       VAL  56   1.620  -1.922 -14.134
  585   1HG1  VAL  56          3HG1      VAL  56  -1.138  -1.548 -15.378
  586   2HG1  VAL  56          1HG1      VAL  56  -0.406  -3.099 -14.985
  587   3HG1  VAL  56          2HG1      VAL  56  -0.822  -1.968 -13.697
  588   1HG2  VAL  56          1HG2      VAL  56   2.417  -1.116 -16.364
  589   2HG2  VAL  56          2HG2      VAL  56   1.547  -2.641 -16.489
  590   3HG2  VAL  56          3HG2      VAL  56   0.756  -1.143 -16.952
  591    QG1  VAL  56           QG1      VAL  56  -0.789  -2.205 -14.687
  592    QG2  VAL  56           QG2      VAL  56   1.573  -1.634 -16.602
  593    QQG  VAL  56           QQG      VAL  56   0.392  -1.919 -15.644
  594    H    GLU  57           HN       GLU  57   1.614   2.448 -14.920
  595    HA   GLU  57           HA       GLU  57   4.494   1.853 -14.388
  596   1HB   GLU  57          2HB       GLU  57   4.876   3.954 -15.869
  597   2HB   GLU  57          3HB       GLU  57   4.467   2.445 -16.660
  598   1HG   GLU  57          2HG       GLU  57   3.050   3.944 -17.756
  599   2HG   GLU  57          3HG       GLU  57   1.987   3.323 -16.513
  600    QB   GLU  57           QB       GLU  57   4.672   3.200 -16.265
  601    QG   GLU  57           QG       GLU  57   2.519   3.633 -17.134
  602    H    THR  58           HN       THR  58   1.778   3.337 -13.294
  603    HA   THR  58           HA       THR  58   3.061   5.633 -11.987
  604    HB   THR  58           HB       THR  58   0.675   5.817 -10.972
  605    HG1  THR  58          1HG       THR  58   0.058   3.811 -12.900
  606   1HG2  THR  58          2HG2      THR  58   0.790   5.462 -14.016
  607   2HG2  THR  58          3HG2      THR  58  -0.421   6.387 -13.132
  608   3HG2  THR  58          1HG2      THR  58   1.249   6.945 -13.190
  609    QG2  THR  58           QG2      THR  58   0.539   6.265 -13.446
  610    H    VAL  59           HN       VAL  59   4.501   3.590 -11.326
  611    HA   VAL  59           HA       VAL  59   3.469   2.264  -8.940
  612    HB   VAL  59           HB       VAL  59   5.693   1.049  -8.987
  613   1HG1  VAL  59          2HG1      VAL  59   4.002   1.023 -11.511
  614   2HG1  VAL  59          3HG1      VAL  59   5.088  -0.265 -11.001
  615   3HG1  VAL  59          1HG1      VAL  59   3.669   0.118 -10.039
  616   1HG2  VAL  59          3HG2      VAL  59   6.942   2.849 -10.165
  617   2HG2  VAL  59          1HG2      VAL  59   7.069   1.300 -10.990
  618   3HG2  VAL  59          2HG2      VAL  59   5.988   2.541 -11.611
  619    QG1  VAL  59           QG1      VAL  59   4.253   0.292 -10.850
  620    QG2  VAL  59           QG2      VAL  59   6.666   2.230 -10.922
  621    QQG  VAL  59           QQG      VAL  59   5.460   1.261 -10.886
  622    HA   PRO  60           HA       PRO  60   5.183   0.913  -7.111
  623   1HB   PRO  60          2HB       PRO  60   4.189   1.629  -4.542
  624   2HB   PRO  60          3HB       PRO  60   5.788   0.978  -4.913
  625   1HG   PRO  60          2HG       PRO  60   4.974   3.795  -4.397
  626   2HG   PRO  60          3HG       PRO  60   6.534   3.039  -4.139
  627   1HD   PRO  60          2HD       PRO  60   6.052   4.772  -6.212
  628   2HD   PRO  60          3HD       PRO  60   7.243   3.457  -6.335
  629    QB   PRO  60           QB       PRO  60   4.988   1.303  -4.727
  630    QG   PRO  60           QG       PRO  60   5.754   3.417  -4.268
  631    QD   PRO  60           QD       PRO  60   6.648   4.115  -6.273
  632    H    GLN  61           HN       GLN  61   3.271  -0.151  -7.357
  633    HA   GLN  61           HA       GLN  61   0.869   1.564  -7.748
  634   1HB   GLN  61          2HB       GLN  61   1.757  -0.162  -9.498
  635   2HB   GLN  61          3HB       GLN  61   1.130  -1.386  -8.413
  636   1HG   GLN  61          2HG       GLN  61  -0.650  -1.000  -9.928
  637   2HG   GLN  61          3HG       GLN  61  -1.100  -0.046  -8.524
  638   1HE2  GLN  61          2HE2      GLN  61   0.368   2.856 -10.641
  639   2HE2  GLN  61          1HE2      GLN  61   1.142   2.017  -9.382
  640    QB   GLN  61           QB       GLN  61   1.444  -0.774  -8.956
  641    QG   GLN  61           QG       GLN  61  -0.875  -0.523  -9.226
  642    QE2  GLN  61           QE2      GLN  61   0.755   2.436 -10.011
  643    H    ILE  62           HN       ILE  62  -0.413   1.733  -6.019
  644    HA   ILE  62           HA       ILE  62  -0.341  -0.480  -4.022
  645    HB   ILE  62           HB       ILE  62  -0.996   2.465  -3.732
  646   1HG1  ILE  62          2HG1      ILE  62   0.833   2.082  -1.879
  647   2HG1  ILE  62          3HG1      ILE  62   1.213   0.638  -2.811
  648   1HG2  ILE  62          1HG2      ILE  62  -1.336   0.215  -1.714
  649   2HG2  ILE  62          2HG2      ILE  62  -1.372   1.927  -1.303
  650   3HG2  ILE  62          3HG2      ILE  62  -2.604   1.252  -2.358
  651   1HD1  ILE  62          3HD1      ILE  62   1.100   3.432  -3.952
  652   2HD1  ILE  62          1HD1      ILE  62   2.580   2.600  -3.498
  653   3HD1  ILE  62          2HD1      ILE  62   1.591   1.980  -4.808
  654    QG1  ILE  62           QG1      ILE  62   1.023   1.360  -2.345
  655    QG2  ILE  62           QG2      ILE  62  -1.770   1.131  -1.792
  656    QD1  ILE  62           QD1      ILE  62   1.757   2.671  -4.086
  657    H    PHE  63           HN       PHE  63  -2.010  -1.398  -3.350
  658    HA   PHE  63           HA       PHE  63  -4.734  -0.753  -4.414
  659   1HB   PHE  63          2HB       PHE  63  -3.524  -3.523  -3.996
  660   2HB   PHE  63          3HB       PHE  63  -5.157  -3.192  -4.559
  661    HD1  PHE  63          2HD       PHE  63  -1.627  -2.237  -5.472
  662    HD2  PHE  63          1HD       PHE  63  -5.507  -3.288  -6.856
  663    HE1  PHE  63          2HE       PHE  63  -0.854  -2.074  -7.775
  664    HE2  PHE  63          1HE       PHE  63  -4.718  -3.102  -9.163
  665    HZ   PHE  63           HZ       PHE  63  -2.441  -2.384  -9.625
  666    QB   PHE  63           QB       PHE  63  -4.340  -3.357  -4.277
  667    QR   PHE  63           QR       PHE  63  -3.177  -2.675  -7.317
  668    H    VAL  64           HN       VAL  64  -6.317  -0.840  -2.818
  669    HA   VAL  64           HA       VAL  64  -5.265  -1.529  -0.076
  670    HB   VAL  64           HB       VAL  64  -7.394   0.467  -0.915
  671   1HG1  VAL  64          1HG1      VAL  64  -6.593  -0.435   1.880
  672   2HG1  VAL  64          2HG1      VAL  64  -7.669   0.910   1.520
  673   3HG1  VAL  64          3HG1      VAL  64  -8.153  -0.729   1.119
  674   1HG2  VAL  64          2HG2      VAL  64  -4.953   1.142  -1.006
  675   2HG2  VAL  64          3HG2      VAL  64  -5.905   2.083   0.143
  676   3HG2  VAL  64          1HG2      VAL  64  -4.852   0.795   0.712
  677    QG1  VAL  64           QG1      VAL  64  -7.472  -0.085   1.506
  678    QG2  VAL  64           QG2      VAL  64  -5.236   1.340  -0.051
  679    QQG  VAL  64           QQG      VAL  64  -6.354   0.628   0.728
  680    H    ASP  65           HN       ASP  65  -5.900  -3.500   0.396
  681    HA   ASP  65           HA       ASP  65  -7.390  -5.166   1.079
  682   1HB   ASP  65          2HB       ASP  65  -8.925  -3.029   1.449
  683   2HB   ASP  65          3HB       ASP  65  -9.760  -3.632   0.032
  684    QB   ASP  65           QB       ASP  65  -9.343  -3.331   0.740
  685    H    GLN  66           HN       GLN  66  -9.068  -3.798  -1.685
  686    HA   GLN  66           HA       GLN  66  -8.551  -6.332  -3.149
  687   1HB   GLN  66          2HB       GLN  66 -11.253  -4.970  -2.893
  688   2HB   GLN  66          3HB       GLN  66 -10.923  -6.401  -3.862
  689   1HG   GLN  66          2HG       GLN  66 -10.353  -7.691  -1.885
  690   2HG   GLN  66          3HG       GLN  66 -10.422  -6.260  -0.868
  691   1HE2  GLN  66          2HE2      GLN  66 -13.813  -6.692  -0.231
  692   2HE2  GLN  66          1HE2      GLN  66 -12.294  -6.115   0.275
  693    QB   GLN  66           QB       GLN  66 -11.088  -5.685  -3.377
  694    QG   GLN  66           QG       GLN  66 -10.387  -6.976  -1.377
  695    QE2  GLN  66           QE2      GLN  66 -13.054  -6.404   0.022
  696    H    GLN  67           HN       GLN  67  -9.576  -2.937  -3.458
  697    HA   GLN  67           HA       GLN  67  -9.297  -3.153  -6.383
  698   1HB   GLN  67          2HB       GLN  67 -10.233  -0.820  -6.307
  699   2HB   GLN  67          3HB       GLN  67 -11.299  -2.033  -5.648
  700   1HG   GLN  67          2HG       GLN  67  -9.447  -0.690  -3.720
  701   2HG   GLN  67          3HG       GLN  67 -10.761   0.286  -4.368
  702   1HE2  GLN  67          2HE2      GLN  67 -11.624  -2.311  -1.482
  703   2HE2  GLN  67          1HE2      GLN  67 -10.045  -1.784  -1.821
  704    QB   GLN  67           QB       GLN  67 -10.766  -1.426  -5.978
  705    QG   GLN  67           QG       GLN  67 -10.104  -0.202  -4.044
  706    QE2  GLN  67           QE2      GLN  67 -10.835  -2.047  -1.652
  707    H    HIS  68           HN       HIS  68  -8.221  -1.544  -7.557
  708    HA   HIS  68           HA       HIS  68  -5.557  -0.928  -6.512
  709   1HB   HIS  68          2HB       HIS  68  -5.964  -1.433  -8.902
  710   2HB   HIS  68          3HB       HIS  68  -6.966  -0.019  -9.039
  711    HD1  HIS  68           HD1      HIS  68  -5.520   1.277 -10.547
  712    HD2  HIS  68           HD2      HIS  68  -3.377  -0.002  -7.288
  713    HE1  HIS  68           HE1      HIS  68  -3.317   2.533 -10.570
  714    QB   HIS  68           QB       HIS  68  -6.465  -0.726  -8.971
  715    H    ILE  69           HN       ILE  69  -4.887   1.162  -5.889
  716    HA   ILE  69           HA       ILE  69  -7.164   3.044  -5.506
  717    HB   ILE  69           HB       ILE  69  -4.470   2.923  -4.113
  718   1HG1  ILE  69          2HG1      ILE  69  -5.744   1.040  -3.367
  719   2HG1  ILE  69          3HG1      ILE  69  -5.966   2.284  -2.157
  720   1HG2  ILE  69          3HG2      ILE  69  -6.934   4.597  -3.536
  721   2HG2  ILE  69          1HG2      ILE  69  -5.485   4.534  -2.542
  722   3HG2  ILE  69          2HG2      ILE  69  -5.407   5.205  -4.167
  723   1HD1  ILE  69          1HD1      ILE  69  -8.159   2.885  -3.140
  724   2HD1  ILE  69          2HD1      ILE  69  -7.961   1.620  -4.349
  725   3HD1  ILE  69          3HD1      ILE  69  -8.118   1.196  -2.657
  726    QG1  ILE  69           QG1      ILE  69  -5.855   1.662  -2.762
  727    QG2  ILE  69           QG2      ILE  69  -5.942   4.779  -3.415
  728    QD1  ILE  69           QD1      ILE  69  -8.079   1.901  -3.382
  729    H    GLY  70           HN       GLY  70  -4.091   2.681  -7.127
  730   1HA   GLY  70          1HA       GLY  70  -4.286   4.290  -9.188
  731   2HA   GLY  70          2HA       GLY  70  -4.296   5.540  -7.971
  732    QA   GLY  70           QA       GLY  70  -4.291   4.915  -8.579
  733    H    GLY  71           HN       GLY  71  -2.313   4.250  -6.270
  734   1HA   GLY  71          1HA       GLY  71   0.085   3.394  -7.063
  735   2HA   GLY  71          2HA       GLY  71   0.087   4.949  -7.889
  736    QA   GLY  71           QA       GLY  71   0.086   4.172  -7.476
  737    OH   TYR  72           OH       TYR  72   5.793   7.861   0.428
  738    H    TYR  72           HN       TYR  72   2.061   4.942  -6.301
  739    HA   TYR  72           HA       TYR  72   1.794   5.244  -3.540
  740   1HB   TYR  72          2HB       TYR  72   3.939   5.317  -4.908
  741   2HB   TYR  72          3HB       TYR  72   3.601   7.006  -5.221
  742    HD1  TYR  72           HD2      TYR  72   2.707   5.552  -1.920
  743    HD2  TYR  72           HD1      TYR  72   5.692   7.678  -4.090
  744    HE1  TYR  72           HE2      TYR  72   3.699   6.297   0.174
  745    HE2  TYR  72           HE1      TYR  72   6.683   8.416  -1.988
  746    HH   TYR  72           HH       TYR  72   5.701   8.824   0.424
  747    QB   TYR  72           QB       TYR  72   3.770   6.162  -5.065
  748    QR   TYR  72           QR       TYR  72   4.695   6.985  -1.956
  749    H    THR  73           HN       THR  73   1.290   7.806  -5.973
  750    HA   THR  73           HA       THR  73   0.804   9.904  -4.030
  751    HB   THR  73           HB       THR  73  -0.396  10.951  -6.160
  752    HG1  THR  73          1HG       THR  73  -0.765   9.310  -7.511
  753   1HG2  THR  73          1HG2      THR  73   2.462   9.917  -6.500
  754   2HG2  THR  73          2HG2      THR  73   1.746  11.280  -7.353
  755   3HG2  THR  73          3HG2      THR  73   2.059  11.389  -5.623
  756    QG2  THR  73           QG2      THR  73   2.089  10.862  -6.492
  757    H    ASP  74           HN       ASP  74  -1.398   8.159  -6.157
  758    HA   ASP  74           HA       ASP  74  -3.848   9.069  -5.169
  759   1HB   ASP  74          2HB       ASP  74  -3.226   6.223  -6.008
  760   2HB   ASP  74          3HB       ASP  74  -4.791   7.032  -6.095
  761    QB   ASP  74           QB       ASP  74  -4.009   6.627  -6.051
  762    H    PHE  75           HN       PHE  75  -1.901   6.333  -4.014
  763    HA   PHE  75           HA       PHE  75  -3.640   5.604  -1.887
  764   1HB   PHE  75          2HB       PHE  75  -1.732   4.185  -2.644
  765   2HB   PHE  75          3HB       PHE  75  -0.607   5.368  -1.990
  766    HD1  PHE  75          2HD       PHE  75  -3.704   3.582  -0.772
  767    HD2  PHE  75          1HD       PHE  75   0.279   4.799   0.085
  768    HE1  PHE  75          2HE       PHE  75  -3.866   2.544   1.447
  769    HE2  PHE  75          1HE       PHE  75   0.126   3.739   2.294
  770    HZ   PHE  75           HZ       PHE  75  -1.941   2.619   2.985
  771    QB   PHE  75           QB       PHE  75  -1.169   4.777  -2.317
  772    QR   PHE  75           QR       PHE  75  -1.791   3.666   0.763
  773    H    ALA  76           HN       ALA  76  -0.732   7.704  -1.846
  774    HA   ALA  76           HA       ALA  76  -0.817   8.493   0.811
  775   1HB   ALA  76          2HB       ALA  76   0.928   9.223  -0.792
  776   2HB   ALA  76          3HB       ALA  76  -0.241  10.249  -1.613
  777   3HB   ALA  76          1HB       ALA  76   0.250  10.621   0.036
  778    QB   ALA  76           QB       ALA  76   0.312  10.031  -0.790
  779    H    ALA  77           HN       ALA  77  -2.606  10.146  -1.795
  780    HA   ALA  77           HA       ALA  77  -3.960  11.898   0.133
  781   1HB   ALA  77          1HB       ALA  77  -4.641  11.258  -2.776
  782   2HB   ALA  77          2HB       ALA  77  -5.351  12.565  -1.830
  783   3HB   ALA  77          3HB       ALA  77  -3.636  12.594  -2.228
  784    QB   ALA  77           QB       ALA  77  -4.543  12.139  -2.278
  785    CH2  TRP  78           CH2      TRP  78  -8.807   3.311   1.335
  786    H    TRP  78           HN       TRP  78  -5.024   9.177  -1.870
  787    HA   TRP  78           HA       TRP  78  -7.670   8.922  -1.064
  788   1HB   TRP  78          2HB       TRP  78  -6.568   7.428  -2.694
  789   2HB   TRP  78          3HB       TRP  78  -5.666   6.678  -1.413
  790    HD1  TRP  78           HD1      TRP  78  -9.029   6.535  -3.162
  791    HE1  TRP  78           HE1      TRP  78 -10.465   4.735  -2.178
  792    HE3  TRP  78           HE3      TRP  78  -6.199   5.416   0.802
  793    HZ2  TRP  78           HZ2      TRP  78 -10.496   3.070   0.055
  794    HZ3  TRP  78           HZ3      TRP  78  -7.013   3.724   2.414
  795    HH2  TRP  78           HH2      TRP  78  -9.149   2.579   2.053
  796    QB   TRP  78           QB       TRP  78  -6.117   7.053  -2.054
  797    H    VAL  79           HN       VAL  79  -4.775   7.660   0.576
  798    HA   VAL  79           HA       VAL  79  -5.950   6.378   2.768
  799    HB   VAL  79           HB       VAL  79  -3.392   7.962   2.408
  800   1HG1  VAL  79          1HG1      VAL  79  -4.313   6.631   4.979
  801   2HG1  VAL  79          2HG1      VAL  79  -2.684   7.221   4.683
  802   3HG1  VAL  79          3HG1      VAL  79  -4.028   8.351   4.762
  803   1HG2  VAL  79          1HG2      VAL  79  -3.602   5.669   1.465
  804   2HG2  VAL  79          2HG2      VAL  79  -2.387   5.733   2.733
  805   3HG2  VAL  79          3HG2      VAL  79  -3.975   5.049   3.066
  806    QG1  VAL  79           QG1      VAL  79  -3.675   7.401   4.808
  807    QG2  VAL  79           QG2      VAL  79  -3.321   5.484   2.421
  808    QQG  VAL  79           QQG      VAL  79  -3.498   6.442   3.615
  809    H    LYS  80           HN       LYS  80  -4.879   9.761   2.658
  810    HA   LYS  80           HA       LYS  80  -6.055  10.464   5.133
  811   1HB   LYS  80          2HB       LYS  80  -4.440  11.784   3.529
  812   2HB   LYS  80          3HB       LYS  80  -5.921  12.406   2.816
  813   1HG   LYS  80          2HG       LYS  80  -5.471  12.482   5.813
  814   2HG   LYS  80          3HG       LYS  80  -4.849  13.751   4.769
  815   1HD   LYS  80          2HD       LYS  80  -7.085  14.291   3.973
  816   2HD   LYS  80          3HD       LYS  80  -7.776  12.912   4.803
  817   1HE   LYS  80          2HE       LYS  80  -6.449  15.273   6.161
  818   2HE   LYS  80          3HE       LYS  80  -8.185  14.997   6.053
  819   1HZ   LYS  80          3HZ       LYS  80  -6.922  12.671   7.064
  820   2HZ   LYS  80          1HZ       LYS  80  -6.443  14.013   7.989
  821   3HZ   LYS  80          2HZ       LYS  80  -8.092  13.651   7.801
  822    QB   LYS  80           QB       LYS  80  -5.181  12.095   3.172
  823    QG   LYS  80           QG       LYS  80  -5.160  13.117   5.291
  824    QD   LYS  80           QD       LYS  80  -7.430  13.601   4.388
  825    QE   LYS  80           QE       LYS  80  -7.317  15.135   6.107
  826    QZ   LYS  80           QZ       LYS  80  -7.152  13.445   7.618
  827    H    GLU  81           HN       GLU  81  -7.373  11.070   1.894
  828    HA   GLU  81           HA       GLU  81  -9.813  12.222   2.699
  829   1HB   GLU  81          2HB       GLU  81  -9.273  10.530   0.231
  830   2HB   GLU  81          3HB       GLU  81 -10.602  11.661   0.417
  831   1HG   GLU  81          2HG       GLU  81  -9.018  13.539   0.609
  832   2HG   GLU  81          3HG       GLU  81  -7.656  12.427   0.527
  833    QB   GLU  81           QB       GLU  81  -9.937  11.095   0.324
  834    QG   GLU  81           QG       GLU  81  -8.337  12.983   0.568
  835    H    ASN  82           HN       ASN  82  -9.119   8.782   2.335
  836    HA   ASN  82           HA       ASN  82 -11.980   8.251   2.977
  837   1HB   ASN  82          2HB       ASN  82  -9.767   6.427   1.970
  838   2HB   ASN  82          3HB       ASN  82 -11.394   5.879   2.358
  839   1HD2  ASN  82          2HD2      ASN  82 -10.852   8.293  -0.923
  840   2HD2  ASN  82          1HD2      ASN  82  -9.708   8.310   0.334
  841    QB   ASN  82           QB       ASN  82 -10.580   6.153   2.164
  842    QD2  ASN  82           QD2      ASN  82 -10.280   8.301  -0.294
  843    H    LEU  83           HN       LEU  83  -8.796   7.808   4.432
  844    HA   LEU  83           HA       LEU  83  -9.981   6.041   6.460
  845   1HB   LEU  83          2HB       LEU  83  -7.226   7.309   6.418
  846   2HB   LEU  83          3HB       LEU  83  -7.758   6.034   7.501
  847    HG   LEU  83           HG       LEU  83  -7.268   5.875   4.519
  848   1HD1  LEU  83          1HD1      LEU  83  -5.409   5.428   6.085
  849   2HD1  LEU  83          2HD1      LEU  83  -6.379   4.211   6.900
  850   3HD1  LEU  83          3HD1      LEU  83  -5.874   3.959   5.235
  851   1HD2  LEU  83          2HD2      LEU  83  -8.789   3.861   6.217
  852   2HD2  LEU  83          3HD2      LEU  83  -9.459   4.795   4.884
  853   3HD2  LEU  83          1HD2      LEU  83  -8.227   3.580   4.574
  854    QB   LEU  83           QB       LEU  83  -7.492   6.671   6.959
  855    QD1  LEU  83           QD1      LEU  83  -5.887   4.533   6.073
  856    QD2  LEU  83           QD2      LEU  83  -8.825   4.079   5.225
  857    QQD  LEU  83           QQD      LEU  83  -7.356   4.306   5.649
  858    H    ASP  84           HN       ASP  84  -9.319   9.503   6.195
  859    HA   ASP  84           HA       ASP  84  -9.861   9.724   9.140
  860   1HB   ASP  84          2HB       ASP  84  -8.743  11.700   7.152
  861   2HB   ASP  84          3HB       ASP  84  -9.131  12.111   8.819
  862    QB   ASP  84           QB       ASP  84  -8.937  11.906   7.986
  863    H    ALA  85           HN       ALA  85 -11.960   9.019   7.487
  864    HA   ALA  85           HA       ALA  85 -13.738  11.379   7.827
  865   1HB   ALA  85          2HB       ALA  85 -13.163  11.113   5.412
  866   2HB   ALA  85          3HB       ALA  85 -13.744   9.451   5.476
  867   3HB   ALA  85          1HB       ALA  85 -14.870  10.782   5.714
  868    QB   ALA  85           QB       ALA  85 -13.926  10.449   5.534
   
  Start of MODEL           5
 Raw file had 868 H/Q atoms
  Start of MODEL    5
    1    H    MET   1           HN       MET   1  -8.632  -2.457   7.329
    2    HA   MET   1           HA       MET   1  -8.733  -4.293   5.196
    3   1HB   MET   1          2HB       MET   1  -8.101  -2.305   3.795
    4   2HB   MET   1          3HB       MET   1  -9.421  -1.971   4.899
    5   1HG   MET   1          2HG       MET   1  -7.929  -0.839   6.443
    6   2HG   MET   1          3HG       MET   1  -6.527  -1.347   5.541
    7   1HE   MET   1          1HE       MET   1  -9.812   0.387   5.358
    8   2HE   MET   1          2HE       MET   1  -9.559   1.849   4.418
    9   3HE   MET   1          3HE       MET   1  -9.741   0.304   3.594
   10    QB   MET   1           QB       MET   1  -8.761  -2.138   4.347
   11    QG   MET   1           QG       MET   1  -7.228  -1.093   5.992
   12    QE   MET   1           QE       MET   1  -9.704   0.847   4.457
   13    H    GLN   2           HN       GLN   2  -7.015  -4.416   3.432
   14    HA   GLN   2           HA       GLN   2  -4.314  -4.609   4.654
   15   1HB   GLN   2          2HB       GLN   2  -3.931  -6.640   3.358
   16   2HB   GLN   2          3HB       GLN   2  -5.303  -6.840   4.436
   17   1HG   GLN   2          2HG       GLN   2  -6.709  -6.031   2.427
   18   2HG   GLN   2          3HG       GLN   2  -5.284  -6.369   1.464
   19   1HE2  GLN   2          2HE2      GLN   2  -7.674  -9.385   2.107
   20   2HE2  GLN   2          1HE2      GLN   2  -8.111  -7.742   2.014
   21    QB   GLN   2           QB       GLN   2  -4.617  -6.740   3.897
   22    QG   GLN   2           QG       GLN   2  -5.996  -6.200   1.945
   23    QE2  GLN   2           QE2      GLN   2  -7.893  -8.564   2.060
   24    H    THR   3           HN       THR   3  -2.844  -3.401   3.629
   25    HA   THR   3           HA       THR   3  -3.465  -2.363   0.922
   26    HB   THR   3           HB       THR   3  -1.143  -1.694   2.804
   27    HG1  THR   3          1HG       THR   3  -2.880  -0.894   3.808
   28   1HG2  THR   3          1HG2      THR   3  -0.837  -1.024   0.361
   29   2HG2  THR   3          2HG2      THR   3  -2.359  -0.146   0.465
   30   3HG2  THR   3          3HG2      THR   3  -0.984   0.359   1.444
   31    QG2  THR   3           QG2      THR   3  -1.393  -0.271   0.756
   32    H    VAL   4           HN       VAL   4  -2.425  -3.085  -0.899
   33    HA   VAL   4           HA       VAL   4  -0.237  -5.113  -0.514
   34    HB   VAL   4           HB       VAL   4  -2.057  -4.872  -2.936
   35   1HG1  VAL   4          1HG1      VAL   4  -0.344  -7.121  -1.811
   36   2HG1  VAL   4          2HG1      VAL   4  -1.337  -7.233  -3.261
   37   3HG1  VAL   4          3HG1      VAL   4   0.041  -6.139  -3.222
   38   1HG2  VAL   4          1HG2      VAL   4  -2.478  -6.633  -0.490
   39   2HG2  VAL   4          2HG2      VAL   4  -3.509  -5.291  -0.981
   40   3HG2  VAL   4          3HG2      VAL   4  -3.406  -6.732  -1.986
   41    QG1  VAL   4           QG1      VAL   4  -0.547  -6.831  -2.765
   42    QG2  VAL   4           QG2      VAL   4  -3.131  -6.219  -1.152
   43    QQG  VAL   4           QQG      VAL   4  -1.839  -6.525  -1.958
   44    H    ILE   5           HN       ILE   5   1.653  -4.254  -1.031
   45    HA   ILE   5           HA       ILE   5   1.657  -2.059  -3.075
   46    HB   ILE   5           HB       ILE   5   3.829  -2.743  -1.066
   47   1HG1  ILE   5          2HG1      ILE   5   1.751  -2.058   0.122
   48   2HG1  ILE   5          3HG1      ILE   5   3.013  -0.851   0.287
   49   1HG2  ILE   5          1HG2      ILE   5   3.331  -0.324  -2.842
   50   2HG2  ILE   5          2HG2      ILE   5   4.608  -0.439  -1.631
   51   3HG2  ILE   5          3HG2      ILE   5   4.613  -1.513  -3.030
   52   1HD1  ILE   5          3HD1      ILE   5   1.983   0.475  -1.533
   53   2HD1  ILE   5          1HD1      ILE   5   0.703  -0.718  -1.679
   54   3HD1  ILE   5          2HD1      ILE   5   0.864   0.231  -0.203
   55    QG1  ILE   5           QG1      ILE   5   2.382  -1.454   0.205
   56    QG2  ILE   5           QG2      ILE   5   4.184  -0.758  -2.501
   57    QD1  ILE   5           QD1      ILE   5   1.183  -0.004  -1.138
   58    H    PHE   6           HN       PHE   6   2.506  -2.517  -5.008
   59    HA   PHE   6           HA       PHE   6   4.015  -5.056  -5.372
   60   1HB   PHE   6          2HB       PHE   6   2.673  -3.230  -7.408
   61   2HB   PHE   6          3HB       PHE   6   3.493  -4.732  -7.789
   62    HD1  PHE   6          2HD       PHE   6   0.589  -3.303  -5.987
   63    HD2  PHE   6          1HD       PHE   6   2.397  -6.849  -7.514
   64    HE1  PHE   6          2HE       PHE   6  -1.486  -4.548  -5.605
   65    HE2  PHE   6          1HE       PHE   6   0.312  -8.074  -7.125
   66    HZ   PHE   6           HZ       PHE   6  -1.639  -6.920  -6.198
   67    QB   PHE   6           QB       PHE   6   3.083  -3.981  -7.599
   68    QR   PHE   6           QR       PHE   6   0.453  -5.694  -6.558
   69    H    GLY   7           HN       GLY   7   6.076  -4.487  -4.868
   70   1HA   GLY   7          1HA       GLY   7   7.269  -2.210  -6.409
   71   2HA   GLY   7          2HA       GLY   7   7.827  -2.683  -4.811
   72    QA   GLY   7           QA       GLY   7   7.548  -2.447  -5.610
   73    NH1  ARG   8           NH2      ARG   8   6.868  -2.183  -8.772
   74    NH2  ARG   8           NH1      ARG   8   5.435  -3.812  -9.433
   75    H    ARG   8           HN       ARG   8   9.857  -2.755  -6.264
   76    HA   ARG   8           HA       ARG   8  10.575  -5.511  -6.611
   77   1HB   ARG   8          2HB       ARG   8  10.939  -5.405  -9.112
   78   2HB   ARG   8          3HB       ARG   8   9.249  -5.364  -8.657
   79   1HG   ARG   8          2HG       ARG   8   9.862  -2.671  -8.642
   80   2HG   ARG   8          3HG       ARG   8  10.934  -3.253  -9.903
   81   1HD   ARG   8          2HD       ARG   8   8.622  -2.508 -10.693
   82   2HD   ARG   8          3HD       ARG   8   9.105  -4.124 -11.200
   83    HE   ARG   8           HE       ARG   8   7.649  -5.035  -9.413
   84   1HH1  ARG   8          2HH2      ARG   8   7.804  -1.836  -8.710
   85   2HH1  ARG   8          1HH2      ARG   8   6.107  -1.649  -8.395
   86   1HH2  ARG   8          2HH1      ARG   8   5.287  -4.737  -9.787
   87   2HH2  ARG   8          1HH1      ARG   8   4.649  -3.244  -9.167
   88    QB   ARG   8           QB       ARG   8  10.094  -5.385  -8.884
   89    QG   ARG   8           QG       ARG   8  10.398  -2.962  -9.273
   90    QD   ARG   8           QD       ARG   8   8.863  -3.316 -10.946
   91    QH1  ARG   8           QH2      ARG   8   6.956  -1.742  -8.553
   92    QH2  ARG   8           QH1      ARG   8   4.968  -3.991  -9.477
   93    H    SER   9           HN       SER   9  12.814  -5.584  -7.732
   94    HA   SER   9           HA       SER   9  14.374  -3.271  -6.707
   95   1HB   SER   9          2HB       SER   9  16.357  -4.735  -7.096
   96   2HB   SER   9          3HB       SER   9  15.145  -5.607  -6.133
   97    HG   SER   9           HG       SER   9  15.489  -5.647  -8.964
   98    QB   SER   9           QB       SER   9  15.751  -5.171  -6.615
   99    H    GLY  10           HN       GLY  10  12.879  -2.507  -8.594
  100   1HA   GLY  10          1HA       GLY  10  14.636  -2.083 -10.966
  101   2HA   GLY  10          2HA       GLY  10  12.953  -2.544 -11.224
  102    QA   GLY  10           QA       GLY  10  13.794  -2.313 -11.095
  103    H    CYS  11           HN       CYS  11  11.838  -1.124  -9.037
  104    HA   CYS  11           HA       CYS  11  11.921   1.599 -10.162
  105   1HB   CYS  11          2HB       CYS  11   9.987   1.921  -8.546
  106   2HB   CYS  11          3HB       CYS  11   9.726   0.748  -9.812
  107    QB   CYS  11           QB       CYS  11   9.856   1.334  -9.179
  108    HA   PRO  12           HA       PRO  12  13.255   3.127  -6.094
  109   1HB   PRO  12          2HB       PRO  12  13.184   5.822  -7.057
  110   2HB   PRO  12          3HB       PRO  12  14.625   4.851  -6.758
  111   1HG   PRO  12          2HG       PRO  12  13.681   5.729  -9.301
  112   2HG   PRO  12          3HG       PRO  12  14.968   4.557  -9.012
  113   1HD   PRO  12          2HD       PRO  12  12.120   4.068  -9.771
  114   2HD   PRO  12          3HD       PRO  12  13.558   3.060 -10.071
  115    QB   PRO  12           QB       PRO  12  13.904   5.336  -6.907
  116    QG   PRO  12           QG       PRO  12  14.325   5.143  -9.157
  117    QD   PRO  12           QD       PRO  12  12.839   3.564  -9.921
  118    OH   TYR  13           OH       TYR  13   5.131   9.748  -4.988
  119    H    TYR  13           HN       TYR  13  12.085   5.072  -4.895
  120    HA   TYR  13           HA       TYR  13  10.095   6.166  -4.255
  121   1HB   TYR  13          2HB       TYR  13   9.908   6.469  -6.845
  122   2HB   TYR  13          3HB       TYR  13   8.752   5.152  -6.763
  123    HD1  TYR  13           HD1      TYR  13   8.200   6.693  -3.706
  124    HD2  TYR  13           HD2      TYR  13   7.716   7.431  -7.861
  125    HE1  TYR  13           HE1      TYR  13   6.422   8.297  -3.209
  126    HE2  TYR  13           HE2      TYR  13   5.963   9.048  -7.368
  127    HH   TYR  13           HH       TYR  13   5.461  10.584  -5.337
  128    QB   TYR  13           QB       TYR  13   9.330   5.810  -6.804
  129    QR   TYR  13           QR       TYR  13   7.075   7.867  -5.536
  130    H    CYS  14           HN       CYS  14   9.799   2.907  -5.625
  131    HA   CYS  14           HA       CYS  14   7.336   2.096  -4.570
  132   1HB   CYS  14          2HB       CYS  14   8.943  -0.126  -4.123
  133   2HB   CYS  14          3HB       CYS  14   8.022   0.226  -5.550
  134    QB   CYS  14           QB       CYS  14   8.483   0.050  -4.837
  135    H    VAL  15           HN       VAL  15  10.335   2.502  -2.797
  136    HA   VAL  15           HA       VAL  15   9.592   1.120  -0.430
  137    HB   VAL  15           HB       VAL  15  11.309   3.617  -0.703
  138   1HG1  VAL  15          1HG1      VAL  15  10.576   3.147   1.649
  139   2HG1  VAL  15          2HG1      VAL  15  11.190   1.502   1.490
  140   3HG1  VAL  15          3HG1      VAL  15  12.304   2.866   1.431
  141   1HG2  VAL  15          1HG2      VAL  15  12.021   1.680  -2.101
  142   2HG2  VAL  15          2HG2      VAL  15  13.156   1.963  -0.785
  143   3HG2  VAL  15          3HG2      VAL  15  11.989   0.646  -0.677
  144    QG1  VAL  15           QG1      VAL  15  11.357   2.505   1.523
  145    QG2  VAL  15           QG2      VAL  15  12.389   1.430  -1.188
  146    QQG  VAL  15           QQG      VAL  15  11.873   1.967   0.168
  147    NH1  ARG  16           NH2      ARG  16   7.123   9.304   0.499
  148    NH2  ARG  16           NH1      ARG  16   6.366   7.498   1.639
  149    H    ARG  16           HN       ARG  16   9.251   4.548  -1.247
  150    HA   ARG  16           HA       ARG  16   8.114   5.702   0.930
  151   1HB   ARG  16          2HB       ARG  16   7.256   5.960  -1.954
  152   2HB   ARG  16          3HB       ARG  16   6.628   7.013  -0.712
  153   1HG   ARG  16          2HG       ARG  16   9.407   6.856  -1.842
  154   2HG   ARG  16          3HG       ARG  16   8.437   8.273  -1.503
  155   1HD   ARG  16          2HD       ARG  16   9.998   6.560   0.463
  156   2HD   ARG  16          3HD       ARG  16  10.211   8.266   0.120
  157    HE   ARG  16           HE       ARG  16   8.873   7.705   2.298
  158   1HH1  ARG  16          1HH2      ARG  16   7.894   9.844   0.161
  159   2HH1  ARG  16          2HH2      ARG  16   6.185   9.601   0.325
  160   1HH2  ARG  16          2HH1      ARG  16   6.566   6.657   2.172
  161   2HH2  ARG  16          1HH1      ARG  16   5.420   7.767   1.463
  162    QB   ARG  16           QB       ARG  16   6.942   6.486  -1.333
  163    QG   ARG  16           QG       ARG  16   8.922   7.564  -1.672
  164    QD   ARG  16           QD       ARG  16  10.104   7.413   0.291
  165    QH1  ARG  16           QH2      ARG  16   7.040   9.722   0.243
  166    QH2  ARG  16           QH1      ARG  16   5.993   7.212   1.817
  167    H    ALA  17           HN       ALA  17   6.153   3.886  -1.387
  168    HA   ALA  17           HA       ALA  17   3.700   4.122   0.087
  169   1HB   ALA  17          3HB       ALA  17   4.639   1.913  -1.774
  170   2HB   ALA  17          1HB       ALA  17   2.980   2.181  -1.261
  171   3HB   ALA  17          2HB       ALA  17   3.793   3.378  -2.254
  172    QB   ALA  17           QB       ALA  17   3.804   2.491  -1.763
  173    H    LYS  18           HN       LYS  18   6.163   1.601   0.028
  174    HA   LYS  18           HA       LYS  18   5.001  -0.186   1.876
  175   1HB   LYS  18          2HB       LYS  18   6.859  -1.016   0.750
  176   2HB   LYS  18          3HB       LYS  18   7.789   0.444   0.974
  177   1HG   LYS  18          2HG       LYS  18   7.086  -1.035   3.456
  178   2HG   LYS  18          3HG       LYS  18   8.234  -1.816   2.382
  179   1HD   LYS  18          2HD       LYS  18   9.699   0.119   2.409
  180   2HD   LYS  18          3HD       LYS  18   8.542   1.071   3.314
  181   1HE   LYS  18          2HE       LYS  18   9.969  -1.425   4.282
  182   2HE   LYS  18          3HE       LYS  18  10.267   0.222   4.819
  183   1HZ   LYS  18          3HZ       LYS  18   7.538  -0.281   5.152
  184   2HZ   LYS  18          1HZ       LYS  18   8.375  -1.610   5.793
  185   3HZ   LYS  18          2HZ       LYS  18   8.720  -0.054   6.356
  186    QB   LYS  18           QB       LYS  18   7.324  -0.286   0.862
  187    QG   LYS  18           QG       LYS  18   7.660  -1.425   2.919
  188    QD   LYS  18           QD       LYS  18   9.120   0.595   2.861
  189    QE   LYS  18           QE       LYS  18  10.118  -0.602   4.550
  190    QZ   LYS  18           QZ       LYS  18   8.211  -0.648   5.767
  191    H    ASP  19           HN       ASP  19   7.187   2.610   2.579
  192    HA   ASP  19           HA       ASP  19   6.997   2.150   5.424
  193   1HB   ASP  19          2HB       ASP  19   7.748   4.600   5.589
  194   2HB   ASP  19          3HB       ASP  19   8.863   3.472   4.862
  195    QB   ASP  19           QB       ASP  19   8.305   4.036   5.226
  196    H    LEU  20           HN       LEU  20   5.213   4.318   3.201
  197    HA   LEU  20           HA       LEU  20   3.630   5.571   5.154
  198   1HB   LEU  20          2HB       LEU  20   3.482   6.190   2.788
  199   2HB   LEU  20          3HB       LEU  20   2.771   4.633   2.390
  200    HG   LEU  20           HG       LEU  20   0.840   5.182   3.921
  201   1HD1  LEU  20          2HD1      LEU  20   2.180   7.913   4.006
  202   2HD1  LEU  20          3HD1      LEU  20   0.556   7.563   4.585
  203   3HD1  LEU  20          1HD1      LEU  20   1.941   6.828   5.375
  204   1HD2  LEU  20          2HD2      LEU  20   0.702   5.606   1.488
  205   2HD2  LEU  20          3HD2      LEU  20  -0.232   6.781   2.405
  206   3HD2  LEU  20          1HD2      LEU  20   1.336   7.228   1.737
  207    QB   LEU  20           QB       LEU  20   3.127   5.412   2.589
  208    QD1  LEU  20           QD1      LEU  20   1.559   7.435   4.655
  209    QD2  LEU  20           QD2      LEU  20   0.602   6.539   1.877
  210    QQD  LEU  20           QQD      LEU  20   1.080   6.987   3.266
  211    H    ALA  21           HN       ALA  21   2.755   2.565   3.399
  212    HA   ALA  21           HA       ALA  21   0.446   2.035   5.014
  213   1HB   ALA  21          1HB       ALA  21   2.181   0.095   3.443
  214   2HB   ALA  21          2HB       ALA  21   0.573  -0.262   4.069
  215   3HB   ALA  21          3HB       ALA  21   0.778   0.960   2.819
  216    QB   ALA  21           QB       ALA  21   1.177   0.264   3.444
  217    H    GLU  22           HN       GLU  22   3.749   0.690   5.176
  218    HA   GLU  22           HA       GLU  22   3.358  -1.011   7.386
  219   1HB   GLU  22          2HB       GLU  22   5.458  -0.993   6.162
  220   2HB   GLU  22          3HB       GLU  22   5.763   0.672   6.632
  221   1HG   GLU  22          2HG       GLU  22   6.104   0.060   8.937
  222   2HG   GLU  22          3HG       GLU  22   5.470  -1.562   8.668
  223    QB   GLU  22           QB       GLU  22   5.610  -0.161   6.397
  224    QG   GLU  22           QG       GLU  22   5.787  -0.751   8.803
  225    H    LYS  23           HN       LYS  23   4.507   2.318   7.427
  226    HA   LYS  23           HA       LYS  23   4.562   2.754  10.179
  227   1HB   LYS  23          2HB       LYS  23   5.363   4.341   8.433
  228   2HB   LYS  23          3HB       LYS  23   3.699   4.689   7.999
  229   1HG   LYS  23          2HG       LYS  23   4.544   6.463   9.441
  230   2HG   LYS  23          3HG       LYS  23   3.281   5.575  10.267
  231   1HD   LYS  23          2HD       LYS  23   6.047   4.553  10.722
  232   2HD   LYS  23          3HD       LYS  23   5.737   6.158  11.368
  233   1HE   LYS  23          2HE       LYS  23   4.171   3.621  11.977
  234   2HE   LYS  23          3HE       LYS  23   5.166   4.542  13.088
  235   1HZ   LYS  23          2HZ       LYS  23   3.373   6.369  12.028
  236   2HZ   LYS  23          3HZ       LYS  23   2.454   4.969  12.310
  237   3HZ   LYS  23          1HZ       LYS  23   3.320   5.704  13.586
  238    QB   LYS  23           QB       LYS  23   4.531   4.515   8.216
  239    QG   LYS  23           QG       LYS  23   3.912   6.019   9.854
  240    QD   LYS  23           QD       LYS  23   5.892   5.355  11.045
  241    QE   LYS  23           QE       LYS  23   4.668   4.082  12.533
  242    QZ   LYS  23           QZ       LYS  23   3.049   5.681  12.642
  243    H    LEU  24           HN       LEU  24   1.805   3.410   7.996
  244    HA   LEU  24           HA       LEU  24  -0.076   4.247   9.873
  245   1HB   LEU  24          2HB       LEU  24  -0.476   2.529   7.418
  246   2HB   LEU  24          3HB       LEU  24  -1.812   3.218   8.334
  247    HG   LEU  24           HG       LEU  24   0.444   4.847   7.112
  248   1HD1  LEU  24          2HD1      LEU  24  -1.007   3.783   5.400
  249   2HD1  LEU  24          3HD1      LEU  24  -2.426   4.452   6.194
  250   3HD1  LEU  24          1HD1      LEU  24  -1.246   5.523   5.443
  251   1HD2  LEU  24          3HD2      LEU  24  -2.183   5.631   8.418
  252   2HD2  LEU  24          1HD2      LEU  24  -0.574   5.927   9.070
  253   3HD2  LEU  24          2HD2      LEU  24  -1.094   6.748   7.608
  254    QB   LEU  24           QB       LEU  24  -1.144   2.873   7.876
  255    QD1  LEU  24           QD1      LEU  24  -1.560   4.586   5.679
  256    QD2  LEU  24           QD2      LEU  24  -1.283   6.102   8.365
  257    QQD  LEU  24           QQD      LEU  24  -1.422   5.344   7.022
  258    H    SER  25           HN       SER  25   0.547   0.846   9.055
  259    HA   SER  25           HA       SER  25  -1.458  -0.360  10.584
  260   1HB   SER  25          2HB       SER  25  -0.141  -2.351  10.684
  261   2HB   SER  25          3HB       SER  25   0.416  -1.522   9.217
  262    HG   SER  25           HG       SER  25   2.125  -0.669  10.355
  263    QB   SER  25           QB       SER  25   0.137  -1.936   9.951
  264    H    ASN  26           HN       ASN  26   1.171   1.465  11.870
  265    HA   ASN  26           HA       ASN  26   0.772   0.359  14.616
  266   1HB   ASN  26          2HB       ASN  26   2.770   2.423  13.621
  267   2HB   ASN  26          3HB       ASN  26   2.780   1.658  15.196
  268   1HD2  ASN  26          2HD2      ASN  26   3.504  -1.315  12.592
  269   2HD2  ASN  26          1HD2      ASN  26   1.948  -0.679  12.815
  270    QB   ASN  26           QB       ASN  26   2.775   2.040  14.408
  271    QD2  ASN  26           QD2      ASN  26   2.726  -0.997  12.704
  272    H    GLU  27           HN       GLU  27  -0.508   2.760  12.754
  273    HA   GLU  27           HA       GLU  27  -1.005   4.614  15.046
  274   1HB   GLU  27          2HB       GLU  27  -0.805   5.021  12.054
  275   2HB   GLU  27          3HB       GLU  27  -1.681   6.174  13.041
  276   1HG   GLU  27          2HG       GLU  27   0.221   6.930  14.131
  277   2HG   GLU  27          3HG       GLU  27   1.080   5.413  13.926
  278    QB   GLU  27           QB       GLU  27  -1.243   5.597  12.548
  279    QG   GLU  27           QG       GLU  27   0.651   6.172  14.029
  280    NH1  ARG  28           NH2      ARG  28  -6.987   6.985  10.520
  281    NH2  ARG  28           NH1      ARG  28  -8.303   5.154  11.044
  282    H    ARG  28           HN       ARG  28  -2.469   2.803  12.411
  283    HA   ARG  28           HA       ARG  28  -5.135   3.797  13.202
  284   1HB   ARG  28          2HB       ARG  28  -4.426   1.905  10.960
  285   2HB   ARG  28          3HB       ARG  28  -5.948   2.760  11.146
  286   1HG   ARG  28          2HG       ARG  28  -3.219   3.952  10.547
  287   2HG   ARG  28          3HG       ARG  28  -4.631   3.943   9.504
  288   1HD   ARG  28          2HD       ARG  28  -4.086   5.633  11.934
  289   2HD   ARG  28          3HD       ARG  28  -4.713   6.107  10.364
  290    HE   ARG  28           HE       ARG  28  -6.322   4.734  12.499
  291   1HH1  ARG  28          2HH2      ARG  28  -6.105   7.445  10.573
  292   2HH1  ARG  28          1HH2      ARG  28  -7.744   7.459  10.050
  293   1HH2  ARG  28          2HH1      ARG  28  -8.403   4.236  11.483
  294   2HH2  ARG  28          1HH1      ARG  28  -9.095   5.583  10.594
  295    QB   ARG  28           QB       ARG  28  -5.187   2.332  11.053
  296    QG   ARG  28           QG       ARG  28  -3.925   3.948  10.025
  297    QD   ARG  28           QD       ARG  28  -4.399   5.870  11.149
  298    QH1  ARG  28           QH2      ARG  28  -6.925   7.452  10.311
  299    QH2  ARG  28           QH1      ARG  28  -8.749   4.909  11.039
  300    H    ASP  29           HN       ASP  29  -6.849   1.980  12.651
  301    HA   ASP  29           HA       ASP  29  -6.538   0.005  14.816
  302   1HB   ASP  29          2HB       ASP  29  -9.054  -0.155  14.517
  303   2HB   ASP  29          3HB       ASP  29  -8.481   1.452  14.937
  304    QB   ASP  29           QB       ASP  29  -8.768   0.649  14.727
  305    H    ASP  30           HN       ASP  30  -8.324  -0.237  11.689
  306    HA   ASP  30           HA       ASP  30  -7.335  -3.041  11.503
  307   1HB   ASP  30          2HB       ASP  30  -9.781  -2.761  11.409
  308   2HB   ASP  30          3HB       ASP  30  -9.608  -1.634  10.070
  309    QB   ASP  30           QB       ASP  30  -9.695  -2.198  10.739
  310    H    PHE  31           HN       PHE  31  -5.278  -1.852  10.939
  311    HA   PHE  31           HA       PHE  31  -5.198  -1.424   7.980
  312   1HB   PHE  31          2HB       PHE  31  -4.852   0.672   9.408
  313   2HB   PHE  31          3HB       PHE  31  -3.338  -0.052   9.939
  314    HD1  PHE  31          1HD       PHE  31  -1.642  -0.737   8.138
  315    HD2  PHE  31          2HD       PHE  31  -5.011   1.725   7.268
  316    HE1  PHE  31          1HE       PHE  31  -0.615  -0.082   6.017
  317    HE2  PHE  31          2HE       PHE  31  -3.935   2.435   5.167
  318    HZ   PHE  31           HZ       PHE  31  -1.769   1.491   4.518
  319    QB   PHE  31           QB       PHE  31  -4.095   0.310   9.673
  320    QR   PHE  31           QR       PHE  31  -2.801   0.835   6.648
  321    H    GLN  32           HN       GLN  32  -4.445  -3.319   7.332
  322    HA   GLN  32           HA       GLN  32  -1.867  -4.333   8.460
  323   1HB   GLN  32          2HB       GLN  32  -4.104  -5.870   7.055
  324   2HB   GLN  32          3HB       GLN  32  -2.659  -6.581   7.772
  325   1HG   GLN  32          2HG       GLN  32  -3.387  -6.052   9.997
  326   2HG   GLN  32          3HG       GLN  32  -4.604  -4.920   9.418
  327   1HE2  GLN  32          2HE2      GLN  32  -7.063  -7.423   9.307
  328   2HE2  GLN  32          1HE2      GLN  32  -6.716  -5.774   9.452
  329    QB   GLN  32           QB       GLN  32  -3.382  -6.226   7.414
  330    QG   GLN  32           QG       GLN  32  -3.996  -5.486   9.708
  331    QE2  GLN  32           QE2      GLN  32  -6.889  -6.598   9.379
  332    OH   TYR  33           OH       TYR  33   5.095  -3.809   7.457
  333    H    TYR  33           HN       TYR  33  -0.509  -5.376   6.645
  334    HA   TYR  33           HA       TYR  33  -1.265  -4.647   3.918
  335   1HB   TYR  33          2HB       TYR  33   0.475  -3.043   3.488
  336   2HB   TYR  33          3HB       TYR  33  -0.354  -2.481   4.934
  337    HD1  TYR  33           HD1      TYR  33   0.702  -2.812   7.177
  338    HD2  TYR  33           HD2      TYR  33   2.772  -3.820   3.591
  339    HE1  TYR  33           HE1      TYR  33   2.789  -3.055   8.439
  340    HE2  TYR  33           HE2      TYR  33   4.841  -4.079   4.862
  341    HH   TYR  33           HH       TYR  33   5.735  -3.109   7.245
  342    QB   TYR  33           QB       TYR  33   0.060  -2.762   4.211
  343    QR   TYR  33           QR       TYR  33   2.776  -3.441   6.017
  344    H    GLN  34           HN       GLN  34   0.357  -5.254   2.376
  345    HA   GLN  34           HA       GLN  34   2.306  -7.291   3.353
  346   1HB   GLN  34          2HB       GLN  34   0.161  -8.382   2.564
  347   2HB   GLN  34          3HB       GLN  34   0.412  -7.636   0.994
  348   1HG   GLN  34          2HG       GLN  34   2.583  -8.854   0.774
  349   2HG   GLN  34          3HG       GLN  34   2.289  -9.622   2.332
  350   1HE2  GLN  34          2HE2      GLN  34   0.871 -11.562  -0.731
  351   2HE2  GLN  34          1HE2      GLN  34   2.281 -10.616  -0.679
  352    QB   GLN  34           QB       GLN  34   0.286  -8.009   1.779
  353    QG   GLN  34           QG       GLN  34   2.436  -9.238   1.553
  354    QE2  GLN  34           QE2      GLN  34   1.576 -11.089  -0.705
  355    OH   TYR  35           OH       TYR  35   9.243  -3.335  -3.111
  356    H    TYR  35           HN       TYR  35   4.248  -7.242   2.232
  357    HA   TYR  35           HA       TYR  35   4.419  -5.157   0.098
  358   1HB   TYR  35          2HB       TYR  35   6.131  -5.056   1.974
  359   2HB   TYR  35          3HB       TYR  35   6.717  -6.638   1.454
  360    HD1  TYR  35           HD2      TYR  35   5.839  -3.319  -0.111
  361    HD2  TYR  35           HD1      TYR  35   8.532  -6.624  -0.075
  362    HE1  TYR  35           HE2      TYR  35   7.137  -2.286  -1.920
  363    HE2  TYR  35           HE1      TYR  35   9.801  -5.604  -1.904
  364    HH   TYR  35           HH       TYR  35  10.034  -2.906  -2.763
  365    QB   TYR  35           QB       TYR  35   6.424  -5.847   1.714
  366    QR   TYR  35           QR       TYR  35   7.827  -4.459  -1.003
  367    H    VAL  36           HN       VAL  36   4.796  -5.793  -1.963
  368    HA   VAL  36           HA       VAL  36   5.245  -8.706  -2.386
  369    HB   VAL  36           HB       VAL  36   3.056  -6.865  -3.177
  370   1HG1  VAL  36          2HG1      VAL  36   4.115  -8.894  -5.189
  371   2HG1  VAL  36          3HG1      VAL  36   2.588  -8.020  -5.308
  372   3HG1  VAL  36          1HG1      VAL  36   4.110  -7.144  -5.398
  373   1HG2  VAL  36          1HG2      VAL  36   3.334  -9.878  -2.944
  374   2HG2  VAL  36          2HG2      VAL  36   2.740  -8.780  -1.703
  375   3HG2  VAL  36          3HG2      VAL  36   1.813  -9.016  -3.181
  376    QG1  VAL  36           QG1      VAL  36   3.604  -8.020  -5.298
  377    QG2  VAL  36           QG2      VAL  36   2.629  -9.225  -2.609
  378    QQG  VAL  36           QQG      VAL  36   3.117  -8.622  -3.954
  379    H    ASP  37           HN       ASP  37   6.587  -9.292  -3.893
  380    HA   ASP  37           HA       ASP  37   7.927  -7.218  -5.596
  381   1HB   ASP  37          2HB       ASP  37   9.460  -8.312  -3.907
  382   2HB   ASP  37          3HB       ASP  37   9.092  -9.868  -4.629
  383    QB   ASP  37           QB       ASP  37   9.276  -9.090  -4.268
  384    H    ILE  38           HN       ILE  38   7.457  -7.492  -7.641
  385    HA   ILE  38           HA       ILE  38   5.689  -9.372  -8.697
  386    HB   ILE  38           HB       ILE  38   6.482  -8.713 -10.930
  387   1HG1  ILE  38          2HG1      ILE  38   8.714  -7.319  -9.399
  388   2HG1  ILE  38          3HG1      ILE  38   8.882  -8.772 -10.363
  389   1HG2  ILE  38          2HG2      ILE  38   5.006  -7.212  -9.617
  390   2HG2  ILE  38          3HG2      ILE  38   6.421  -6.410  -8.941
  391   3HG2  ILE  38          1HG2      ILE  38   6.078  -6.294 -10.670
  392   1HD1  ILE  38          3HD1      ILE  38   8.173  -7.552 -12.392
  393   2HD1  ILE  38          1HD1      ILE  38   7.984  -6.082 -11.441
  394   3HD1  ILE  38          2HD1      ILE  38   9.580  -6.780 -11.661
  395    QG1  ILE  38           QG1      ILE  38   8.798  -8.046  -9.881
  396    QG2  ILE  38           QG2      ILE  38   5.835  -6.639  -9.743
  397    QD1  ILE  38           QD1      ILE  38   8.579  -6.805 -11.832
  398    NH1  ARG  39           NH2      ARG  39  13.461  -7.928  -7.656
  399    NH2  ARG  39           NH1      ARG  39  15.286  -8.572  -8.869
  400    H    ARG  39           HN       ARG  39   9.170  -9.677  -8.346
  401    HA   ARG  39           HA       ARG  39   9.280 -12.135  -9.977
  402   1HB   ARG  39          2HB       ARG  39  11.430 -11.108  -8.113
  403   2HB   ARG  39          3HB       ARG  39  11.634 -12.137  -9.521
  404   1HG   ARG  39          2HG       ARG  39  10.785 -10.203 -10.941
  405   2HG   ARG  39          3HG       ARG  39  10.832  -9.207  -9.492
  406   1HD   ARG  39          2HD       ARG  39  13.185 -10.604 -10.806
  407   2HD   ARG  39          3HD       ARG  39  12.919  -8.866 -10.674
  408    HE   ARG  39           HE       ARG  39  13.394 -10.620  -8.278
  409   1HH1  ARG  39          2HH2      ARG  39  12.522  -8.128  -7.306
  410   2HH1  ARG  39          1HH2      ARG  39  13.937  -7.086  -7.385
  411   1HH2  ARG  39          2HH1      ARG  39  15.725  -9.243  -9.468
  412   2HH2  ARG  39          1HH1      ARG  39  15.780  -7.742  -8.589
  413    QB   ARG  39           QB       ARG  39  11.532 -11.623  -8.817
  414    QG   ARG  39           QG       ARG  39  10.808  -9.705 -10.216
  415    QD   ARG  39           QD       ARG  39  13.052  -9.735 -10.740
  416    QH1  ARG  39           QH2      ARG  39  13.230  -7.607  -7.345
  417    QH2  ARG  39           QH1      ARG  39  15.753  -8.493  -9.029
  418    H    ALA  40           HN       ALA  40   8.055 -11.701  -6.977
  419    HA   ALA  40           HA       ALA  40   9.150 -14.312  -5.971
  420   1HB   ALA  40          2HB       ALA  40   9.577 -12.382  -4.461
  421   2HB   ALA  40          3HB       ALA  40   7.848 -12.049  -4.414
  422   3HB   ALA  40          1HB       ALA  40   8.471 -13.540  -3.723
  423    QB   ALA  40           QB       ALA  40   8.632 -12.657  -4.199
  424    H    GLU  41           HN       GLU  41   6.240 -12.319  -6.148
  425    HA   GLU  41           HA       GLU  41   4.488 -14.508  -5.389
  426   1HB   GLU  41          2HB       GLU  41   3.674 -11.980  -6.864
  427   2HB   GLU  41          3HB       GLU  41   2.672 -12.986  -5.826
  428   1HG   GLU  41          2HG       GLU  41   5.102 -11.406  -4.872
  429   2HG   GLU  41          3HG       GLU  41   3.431 -10.903  -4.677
  430    QB   GLU  41           QB       GLU  41   3.173 -12.483  -6.345
  431    QG   GLU  41           QG       GLU  41   4.267 -11.154  -4.775
  432    H    GLY  42           HN       GLY  42   5.655 -13.165  -8.414
  433   1HA   GLY  42          1HA       GLY  42   5.862 -14.519 -10.418
  434   2HA   GLY  42          2HA       GLY  42   4.562 -15.548  -9.830
  435    QA   GLY  42           QA       GLY  42   5.212 -15.034 -10.124
  436    H    ILE  43           HN       ILE  43   4.836 -12.034 -10.319
  437    HA   ILE  43           HA       ILE  43   2.321 -12.215 -11.951
  438    HB   ILE  43           HB       ILE  43   3.267  -9.980 -10.113
  439   1HG1  ILE  43          2HG1      ILE  43   0.799 -11.744  -9.920
  440   2HG1  ILE  43          3HG1      ILE  43   2.283 -12.061  -9.025
  441   1HG2  ILE  43          1HG2      ILE  43   0.765 -10.203 -11.816
  442   2HG2  ILE  43          2HG2      ILE  43   1.093  -8.916 -10.669
  443   3HG2  ILE  43          3HG2      ILE  43   2.094  -9.083 -12.100
  444   1HD1  ILE  43          2HD1      ILE  43   2.102  -9.783  -7.987
  445   2HD1  ILE  43          3HD1      ILE  43   0.574  -9.550  -8.832
  446   3HD1  ILE  43          1HD1      ILE  43   0.718 -10.804  -7.614
  447    QG1  ILE  43           QG1      ILE  43   1.541 -11.902  -9.473
  448    QG2  ILE  43           QG2      ILE  43   1.317  -9.401 -11.528
  449    QD1  ILE  43           QD1      ILE  43   1.131 -10.045  -8.144
  450    H    THR  44           HN       THR  44   2.193 -10.966 -13.794
  451    HA   THR  44           HA       THR  44   4.725  -9.637 -14.668
  452    HB   THR  44           HB       THR  44   4.064 -10.256 -16.999
  453    HG1  THR  44          1HG       THR  44   2.049 -10.794 -17.234
  454   1HG2  THR  44          2HG2      THR  44   3.864 -12.616 -15.082
  455   2HG2  THR  44          3HG2      THR  44   4.302 -12.700 -16.786
  456   3HG2  THR  44          1HG2      THR  44   5.381 -11.920 -15.636
  457    QG2  THR  44           QG2      THR  44   4.516 -12.412 -15.834
  458    H    LYS  45           HN       LYS  45   4.170  -7.869 -16.407
  459    HA   LYS  45           HA       LYS  45   2.528  -5.875 -15.214
  460   1HB   LYS  45          2HB       LYS  45   4.268  -5.757 -17.234
  461   2HB   LYS  45          3HB       LYS  45   2.834  -5.949 -18.224
  462   1HG   LYS  45          2HG       LYS  45   3.366  -3.754 -16.189
  463   2HG   LYS  45          3HG       LYS  45   3.348  -3.566 -17.924
  464   1HD   LYS  45          2HD       LYS  45   0.942  -4.256 -16.185
  465   2HD   LYS  45          3HD       LYS  45   1.273  -2.703 -16.913
  466   1HE   LYS  45          2HE       LYS  45   0.696  -5.271 -18.439
  467   2HE   LYS  45          3HE       LYS  45  -0.377  -3.890 -18.265
  468   1HZ   LYS  45          1HZ       LYS  45   2.034  -2.892 -19.161
  469   2HZ   LYS  45          2HZ       LYS  45   1.708  -4.253 -20.133
  470   3HZ   LYS  45          3HZ       LYS  45   0.584  -2.966 -20.010
  471    QB   LYS  45           QB       LYS  45   3.551  -5.853 -17.729
  472    QG   LYS  45           QG       LYS  45   3.357  -3.660 -17.057
  473    QD   LYS  45           QD       LYS  45   1.108  -3.480 -16.549
  474    QE   LYS  45           QE       LYS  45   0.159  -4.580 -18.352
  475    QZ   LYS  45           QZ       LYS  45   1.442  -3.370 -19.768
  476    H    GLU  46           HN       GLU  46   1.854  -7.926 -17.999
  477    HA   GLU  46           HA       GLU  46  -0.686  -7.329 -18.762
  478   1HB   GLU  46          2HB       GLU  46   0.237 -10.162 -18.140
  479   2HB   GLU  46          3HB       GLU  46  -1.093  -9.733 -19.197
  480   1HG   GLU  46          2HG       GLU  46   0.459  -9.818 -20.863
  481   2HG   GLU  46          3HG       GLU  46   0.971  -8.243 -20.277
  482    QB   GLU  46           QB       GLU  46  -0.428  -9.948 -18.669
  483    QG   GLU  46           QG       GLU  46   0.715  -9.031 -20.570
  484    H    ASP  47           HN       ASP  47  -0.109  -9.661 -16.156
  485    HA   ASP  47           HA       ASP  47  -2.707 -10.017 -15.207
  486   1HB   ASP  47          2HB       ASP  47  -0.730 -11.255 -14.380
  487   2HB   ASP  47          3HB       ASP  47  -0.150  -9.809 -13.572
  488    QB   ASP  47           QB       ASP  47  -0.440 -10.532 -13.976
  489    H    LEU  48           HN       LEU  48  -0.412  -7.667 -13.860
  490    HA   LEU  48           HA       LEU  48  -2.168  -6.416 -12.055
  491   1HB   LEU  48          2HB       LEU  48   0.169  -5.269 -13.606
  492   2HB   LEU  48          3HB       LEU  48  -0.653  -4.386 -12.328
  493    HG   LEU  48           HG       LEU  48   0.490  -7.177 -11.926
  494   1HD1  LEU  48          2HD1      LEU  48   2.316  -5.593 -12.494
  495   2HD1  LEU  48          3HD1      LEU  48   1.741  -4.488 -11.249
  496   3HD1  LEU  48          1HD1      LEU  48   2.386  -6.064 -10.802
  497   1HD2  LEU  48          3HD2      LEU  48  -1.271  -6.430 -10.306
  498   2HD2  LEU  48          1HD2      LEU  48   0.301  -6.577  -9.530
  499   3HD2  LEU  48          2HD2      LEU  48  -0.321  -4.990  -9.966
  500    QB   LEU  48           QB       LEU  48  -0.242  -4.827 -12.967
  501    QD1  LEU  48           QD1      LEU  48   2.147  -5.382 -11.515
  502    QD2  LEU  48           QD2      LEU  48  -0.430  -5.999  -9.934
  503    QQD  LEU  48           QQD      LEU  48   0.859  -5.691 -10.724
  504    H    GLN  49           HN       GLN  49  -1.663  -5.626 -15.465
  505    HA   GLN  49           HA       GLN  49  -3.190  -3.321 -15.769
  506   1HB   GLN  49          2HB       GLN  49  -2.078  -4.843 -17.557
  507   2HB   GLN  49          3HB       GLN  49  -3.600  -5.702 -17.601
  508   1HG   GLN  49          2HG       GLN  49  -3.296  -2.718 -18.081
  509   2HG   GLN  49          3HG       GLN  49  -3.446  -3.935 -19.341
  510   1HE2  GLN  49          2HE2      GLN  49  -6.777  -2.405 -17.898
  511   2HE2  GLN  49          1HE2      GLN  49  -5.244  -1.672 -17.862
  512    QB   GLN  49           QB       GLN  49  -2.839  -5.272 -17.579
  513    QG   GLN  49           QG       GLN  49  -3.371  -3.326 -18.711
  514    QE2  GLN  49           QE2      GLN  49  -6.011  -2.039 -17.880
  515    H    GLN  50           HN       GLN  50  -4.464  -6.618 -15.843
  516    HA   GLN  50           HA       GLN  50  -7.200  -6.116 -16.105
  517   1HB   GLN  50          2HB       GLN  50  -5.850  -8.357 -15.904
  518   2HB   GLN  50          3HB       GLN  50  -6.242  -8.243 -14.198
  519   1HG   GLN  50          2HG       GLN  50  -8.700  -7.784 -15.121
  520   2HG   GLN  50          3HG       GLN  50  -8.086  -8.630 -16.537
  521   1HE2  GLN  50          2HE2      GLN  50  -8.422 -11.766 -14.993
  522   2HE2  GLN  50          1HE2      GLN  50  -8.247 -10.883 -16.429
  523    QB   GLN  50           QB       GLN  50  -6.046  -8.300 -15.051
  524    QG   GLN  50           QG       GLN  50  -8.393  -8.207 -15.829
  525    QE2  GLN  50           QE2      GLN  50  -8.335 -11.325 -15.711
  526    H    LYS  51           HN       LYS  51  -5.284  -5.812 -13.199
  527    HA   LYS  51           HA       LYS  51  -7.694  -5.464 -11.535
  528   1HB   LYS  51          2HB       LYS  51  -4.808  -5.907 -10.997
  529   2HB   LYS  51          3HB       LYS  51  -5.730  -5.061  -9.772
  530   1HG   LYS  51          2HG       LYS  51  -7.144  -6.846  -9.341
  531   2HG   LYS  51          3HG       LYS  51  -6.962  -7.529 -10.944
  532   1HD   LYS  51          2HD       LYS  51  -4.895  -7.581  -8.707
  533   2HD   LYS  51          3HD       LYS  51  -5.823  -8.954  -9.296
  534   1HE   LYS  51          2HE       LYS  51  -3.611  -7.447 -10.708
  535   2HE   LYS  51          3HE       LYS  51  -3.731  -9.166 -10.386
  536   1HZ   LYS  51          1HZ       LYS  51  -5.970  -8.533 -11.894
  537   2HZ   LYS  51          2HZ       LYS  51  -4.653  -7.742 -12.635
  538   3HZ   LYS  51          3HZ       LYS  51  -4.568  -9.406 -12.375
  539    QB   LYS  51           QB       LYS  51  -5.269  -5.484 -10.384
  540    QG   LYS  51           QG       LYS  51  -7.053  -7.188 -10.143
  541    QD   LYS  51           QD       LYS  51  -5.359  -8.267  -9.001
  542    QE   LYS  51           QE       LYS  51  -3.671  -8.307 -10.547
  543    QZ   LYS  51           QZ       LYS  51  -5.064  -8.560 -12.301
  544    H    ALA  52           HN       ALA  52  -5.155  -3.582 -12.971
  545    HA   ALA  52           HA       ALA  52  -5.622  -1.167 -11.430
  546   1HB   ALA  52          1HB       ALA  52  -4.390  -1.505 -14.190
  547   2HB   ALA  52          2HB       ALA  52  -4.286  -0.055 -13.192
  548   3HB   ALA  52          3HB       ALA  52  -3.504  -1.542 -12.670
  549    QB   ALA  52           QB       ALA  52  -4.060  -1.034 -13.351
  550    H    GLY  53           HN       GLY  53  -6.650  -2.315 -14.606
  551   1HA   GLY  53          1HA       GLY  53  -8.980  -1.872 -15.345
  552   2HA   GLY  53          2HA       GLY  53  -8.894  -0.315 -14.520
  553    QA   GLY  53           QA       GLY  53  -8.937  -1.094 -14.933
  554    H    LYS  54           HN       LYS  54  -6.600   0.704 -15.278
  555    HA   LYS  54           HA       LYS  54  -7.008   1.266 -18.168
  556   1HB   LYS  54          2HB       LYS  54  -6.951   3.092 -16.407
  557   2HB   LYS  54          3HB       LYS  54  -5.280   2.661 -16.081
  558   1HG   LYS  54          2HG       LYS  54  -4.630   3.290 -18.366
  559   2HG   LYS  54          3HG       LYS  54  -6.317   3.550 -18.793
  560   1HD   LYS  54          2HD       LYS  54  -6.032   5.703 -18.200
  561   2HD   LYS  54          3HD       LYS  54  -6.020   5.149 -16.536
  562   1HE   LYS  54          2HE       LYS  54  -3.635   5.695 -18.328
  563   2HE   LYS  54          3HE       LYS  54  -4.057   6.493 -16.819
  564   1HZ   LYS  54          1HZ       LYS  54  -3.766   3.675 -16.468
  565   2HZ   LYS  54          2HZ       LYS  54  -2.371   4.339 -17.129
  566   3HZ   LYS  54          3HZ       LYS  54  -2.969   4.949 -15.659
  567    QB   LYS  54           QB       LYS  54  -6.115   2.877 -16.244
  568    QG   LYS  54           QG       LYS  54  -5.474   3.420 -18.579
  569    QD   LYS  54           QD       LYS  54  -6.026   5.426 -17.368
  570    QE   LYS  54           QE       LYS  54  -3.846   6.094 -17.574
  571    QZ   LYS  54           QZ       LYS  54  -3.035   4.321 -16.419
  572    HA   PRO  55           HA       PRO  55  -2.721  -0.165 -19.453
  573   1HB   PRO  55          2HB       PRO  55  -2.753   2.804 -19.982
  574   2HB   PRO  55          3HB       PRO  55  -2.072   1.504 -20.969
  575   1HG   PRO  55          2HG       PRO  55  -4.524   2.659 -21.503
  576   2HG   PRO  55          3HG       PRO  55  -4.118   1.002 -21.954
  577   1HD   PRO  55          2HD       PRO  55  -6.033   1.909 -19.924
  578   2HD   PRO  55          3HD       PRO  55  -5.774   0.267 -20.538
  579    QB   PRO  55           QB       PRO  55  -2.412   2.154 -20.475
  580    QG   PRO  55           QG       PRO  55  -4.321   1.830 -21.729
  581    QD   PRO  55           QD       PRO  55  -5.904   1.088 -20.231
  582    H    VAL  56           HN       VAL  56  -1.253  -0.393 -17.873
  583    HA   VAL  56           HA       VAL  56  -0.986   1.793 -15.873
  584    HB   VAL  56           HB       VAL  56  -2.430  -0.118 -15.108
  585   1HG1  VAL  56          2HG1      VAL  56  -1.246  -1.975 -16.198
  586   2HG1  VAL  56          3HG1      VAL  56   0.164  -1.698 -15.184
  587   3HG1  VAL  56          1HG1      VAL  56  -1.344  -2.241 -14.463
  588   1HG2  VAL  56          1HG2      VAL  56   0.127   0.395 -13.564
  589   2HG2  VAL  56          2HG2      VAL  56  -1.341   1.356 -13.498
  590   3HG2  VAL  56          3HG2      VAL  56  -1.342  -0.291 -12.884
  591    QG1  VAL  56           QG1      VAL  56  -0.809  -1.971 -15.282
  592    QG2  VAL  56           QG2      VAL  56  -0.852   0.487 -13.316
  593    QQG  VAL  56           QQG      VAL  56  -0.830  -0.742 -14.299
  594    H    GLU  57           HN       GLU  57   0.694   1.639 -17.991
  595    HA   GLU  57           HA       GLU  57   3.142   0.222 -17.197
  596   1HB   GLU  57          2HB       GLU  57   3.350   2.311 -19.293
  597   2HB   GLU  57          3HB       GLU  57   3.937   0.659 -19.296
  598   1HG   GLU  57          2HG       GLU  57   1.010   1.418 -19.679
  599   2HG   GLU  57          3HG       GLU  57   2.125   1.058 -20.983
  600    QB   GLU  57           QB       GLU  57   3.644   1.485 -19.294
  601    QG   GLU  57           QG       GLU  57   1.568   1.238 -20.331
  602    H    THR  58           HN       THR  58   2.484   1.606 -15.175
  603    HA   THR  58           HA       THR  58   4.586   3.651 -14.907
  604    HB   THR  58           HB       THR  58   1.716   4.219 -13.998
  605    HG1  THR  58          1HG       THR  58   3.038   4.428 -16.413
  606   1HG2  THR  58          1HG2      THR  58   4.156   6.026 -14.408
  607   2HG2  THR  58          2HG2      THR  58   2.584   6.531 -13.797
  608   3HG2  THR  58          3HG2      THR  58   3.604   5.467 -12.827
  609    QG2  THR  58           QG2      THR  58   3.448   6.008 -13.677
  610    H    VAL  59           HN       VAL  59   5.682   2.364 -13.517
  611    HA   VAL  59           HA       VAL  59   4.204   1.279 -11.148
  612    HB   VAL  59           HB       VAL  59   5.850   0.010 -13.083
  613   1HG1  VAL  59          1HG1      VAL  59   7.851   0.810 -11.903
  614   2HG1  VAL  59          2HG1      VAL  59   7.274   0.087 -10.408
  615   3HG1  VAL  59          3HG1      VAL  59   7.702  -0.934 -11.773
  616   1HG2  VAL  59          1HG2      VAL  59   4.917  -1.043 -10.391
  617   2HG2  VAL  59          2HG2      VAL  59   4.009  -1.073 -11.891
  618   3HG2  VAL  59          3HG2      VAL  59   5.480  -2.021 -11.735
  619    QG1  VAL  59           QG1      VAL  59   7.609  -0.012 -11.362
  620    QG2  VAL  59           QG2      VAL  59   4.802  -1.379 -11.339
  621    QQG  VAL  59           QQG      VAL  59   6.205  -0.696 -11.350
  622    HA   PRO  60           HA       PRO  60   5.518   0.190  -9.152
  623   1HB   PRO  60          2HB       PRO  60   4.999   1.104  -6.550
  624   2HB   PRO  60          3HB       PRO  60   6.529   0.439  -7.125
  625   1HG   PRO  60          2HG       PRO  60   5.944   3.199  -6.399
  626   2HG   PRO  60          3HG       PRO  60   7.497   2.495  -6.863
  627   1HD   PRO  60          2HD       PRO  60   5.662   4.119  -8.484
  628   2HD   PRO  60          3HD       PRO  60   7.338   3.650  -8.838
  629    QB   PRO  60           QB       PRO  60   5.764   0.772  -6.838
  630    QG   PRO  60           QG       PRO  60   6.720   2.847  -6.631
  631    QD   PRO  60           QD       PRO  60   6.500   3.885  -8.661
  632    H    GLN  61           HN       GLN  61   3.481  -0.507  -7.787
  633    HA   GLN  61           HA       GLN  61   1.190   1.298  -8.520
  634   1HB   GLN  61          2HB       GLN  61   1.346  -1.732  -8.765
  635   2HB   GLN  61          3HB       GLN  61  -0.138  -0.811  -8.949
  636   1HG   GLN  61          2HG       GLN  61   0.837   0.415 -10.860
  637   2HG   GLN  61          3HG       GLN  61   2.350  -0.458 -10.656
  638   1HE2  GLN  61          2HE2      GLN  61   0.547  -2.357 -13.240
  639   2HE2  GLN  61          1HE2      GLN  61   1.395  -0.892 -13.102
  640    QB   GLN  61           QB       GLN  61   0.604  -1.271  -8.857
  641    QG   GLN  61           QG       GLN  61   1.593  -0.022 -10.758
  642    QE2  GLN  61           QE2      GLN  61   0.971  -1.624 -13.171
  643    H    ILE  62           HN       ILE  62  -0.528   1.383  -7.060
  644    HA   ILE  62           HA       ILE  62  -0.095  -0.046  -4.449
  645    HB   ILE  62           HB       ILE  62  -1.554   2.600  -4.792
  646   1HG1  ILE  62          2HG1      ILE  62   0.820   2.822  -5.571
  647   2HG1  ILE  62          3HG1      ILE  62   0.457   3.784  -4.153
  648   1HG2  ILE  62          1HG2      ILE  62  -0.319   1.158  -2.417
  649   2HG2  ILE  62          2HG2      ILE  62  -1.024   2.764  -2.349
  650   3HG2  ILE  62          3HG2      ILE  62  -2.036   1.376  -2.733
  651   1HD1  ILE  62          2HD1      ILE  62   1.824   1.068  -4.114
  652   2HD1  ILE  62          3HD1      ILE  62   2.635   2.619  -3.935
  653   3HD1  ILE  62          1HD1      ILE  62   1.503   2.078  -2.710
  654    QG1  ILE  62           QG1      ILE  62   0.639   3.303  -4.862
  655    QG2  ILE  62           QG2      ILE  62  -1.126   1.766  -2.500
  656    QD1  ILE  62           QD1      ILE  62   1.988   1.921  -3.586
  657    H    PHE  63           HN       PHE  63  -1.763  -1.236  -3.720
  658    HA   PHE  63           HA       PHE  63  -4.480  -0.852  -4.915
  659   1HB   PHE  63          2HB       PHE  63  -2.772  -3.310  -4.825
  660   2HB   PHE  63          3HB       PHE  63  -4.516  -3.491  -4.680
  661    HD1  PHE  63          2HD       PHE  63  -1.905  -1.912  -6.891
  662    HD2  PHE  63          1HD       PHE  63  -5.851  -3.470  -6.569
  663    HE1  PHE  63          2HE       PHE  63  -2.218  -1.623  -9.309
  664    HE2  PHE  63          1HE       PHE  63  -6.169  -3.163  -8.964
  665    HZ   PHE  63           HZ       PHE  63  -4.341  -2.280 -10.357
  666    QB   PHE  63           QB       PHE  63  -3.644  -3.401  -4.752
  667    QR   PHE  63           QR       PHE  63  -4.036  -2.542  -7.933
  668    H    VAL  64           HN       VAL  64  -6.095  -0.871  -3.388
  669    HA   VAL  64           HA       VAL  64  -5.298  -1.776  -0.637
  670    HB   VAL  64           HB       VAL  64  -7.741  -0.177  -1.522
  671   1HG1  VAL  64          2HG1      VAL  64  -6.734  -0.940   1.246
  672   2HG1  VAL  64          3HG1      VAL  64  -8.122   0.092   0.912
  673   3HG1  VAL  64          1HG1      VAL  64  -8.164  -1.613   0.474
  674   1HG2  VAL  64          1HG2      VAL  64  -5.556   1.040  -1.588
  675   2HG2  VAL  64          2HG2      VAL  64  -6.605   1.665  -0.331
  676   3HG2  VAL  64          3HG2      VAL  64  -5.273   0.589   0.081
  677    QG1  VAL  64           QG1      VAL  64  -7.674  -0.820   0.877
  678    QG2  VAL  64           QG2      VAL  64  -5.811   1.098  -0.613
  679    QQG  VAL  64           QQG      VAL  64  -6.742   0.139   0.132
  680    H    ASP  65           HN       ASP  65  -5.948  -3.721  -0.015
  681    HA   ASP  65           HA       ASP  65  -6.874  -5.830  -0.102
  682   1HB   ASP  65          2HB       ASP  65  -9.213  -3.960  -0.398
  683   2HB   ASP  65          3HB       ASP  65  -9.469  -5.704  -0.420
  684    QB   ASP  65           QB       ASP  65  -9.341  -4.832  -0.409
  685    H    GLN  66           HN       GLN  66  -9.060  -4.495  -2.502
  686    HA   GLN  66           HA       GLN  66  -7.731  -6.155  -4.564
  687   1HB   GLN  66          2HB       GLN  66 -10.691  -6.286  -3.891
  688   2HB   GLN  66          3HB       GLN  66  -9.946  -7.072  -5.276
  689   1HG   GLN  66          2HG       GLN  66  -8.456  -8.349  -3.729
  690   2HG   GLN  66          3HG       GLN  66  -9.248  -7.587  -2.354
  691   1HE2  GLN  66          2HE2      GLN  66 -11.719 -10.078  -2.326
  692   2HE2  GLN  66          1HE2      GLN  66 -10.753  -8.986  -1.451
  693    QB   GLN  66           QB       GLN  66 -10.319  -6.679  -4.583
  694    QG   GLN  66           QG       GLN  66  -8.852  -7.968  -3.042
  695    QE2  GLN  66           QE2      GLN  66 -11.236  -9.532  -1.888
  696    H    GLN  67           HN       GLN  67  -8.573  -3.138  -3.897
  697    HA   GLN  67           HA       GLN  67  -9.652  -2.545  -6.598
  698   1HB   GLN  67          2HB       GLN  67 -10.110  -0.282  -5.502
  699   2HB   GLN  67          3HB       GLN  67 -11.079  -1.610  -4.902
  700   1HG   GLN  67          2HG       GLN  67  -9.741  -1.778  -2.913
  701   2HG   GLN  67          3HG       GLN  67  -8.470  -0.775  -3.588
  702   1HE2  GLN  67          2HE2      GLN  67 -11.193   0.989  -1.366
  703   2HE2  GLN  67          1HE2      GLN  67 -10.822  -0.668  -1.329
  704    QB   GLN  67           QB       GLN  67 -10.595  -0.946  -5.202
  705    QG   GLN  67           QG       GLN  67  -9.105  -1.276  -3.251
  706    QE2  GLN  67           QE2      GLN  67 -11.008   0.161  -1.347
  707    H    HIS  68           HN       HIS  68  -8.682  -0.845  -7.799
  708    HA   HIS  68           HA       HIS  68  -5.770  -0.614  -7.363
  709   1HB   HIS  68          2HB       HIS  68  -6.670  -0.963  -9.635
  710   2HB   HIS  68          3HB       HIS  68  -7.609   0.500  -9.506
  711    HD1  HIS  68           HD1      HIS  68  -6.364   1.534 -11.472
  712    HD2  HIS  68           HD2      HIS  68  -3.797   0.547  -8.401
  713    HE1  HIS  68           HE1      HIS  68  -4.260   2.919 -11.791
  714    QB   HIS  68           QB       HIS  68  -7.139  -0.231  -9.571
  715    H    ILE  69           HN       ILE  69  -4.734   1.353  -6.816
  716    HA   ILE  69           HA       ILE  69  -6.609   3.511  -5.929
  717    HB   ILE  69           HB       ILE  69  -3.772   3.111  -4.947
  718   1HG1  ILE  69          2HG1      ILE  69  -4.992   1.002  -4.568
  719   2HG1  ILE  69          3HG1      ILE  69  -4.670   1.835  -3.067
  720   1HG2  ILE  69          1HG2      ILE  69  -6.245   4.431  -3.779
  721   2HG2  ILE  69          2HG2      ILE  69  -4.692   4.289  -2.968
  722   3HG2  ILE  69          3HG2      ILE  69  -4.831   5.253  -4.431
  723   1HD1  ILE  69          3HD1      ILE  69  -7.324   1.935  -4.571
  724   2HD1  ILE  69          1HD1      ILE  69  -7.007   0.945  -3.160
  725   3HD1  ILE  69          2HD1      ILE  69  -6.995   2.692  -3.017
  726    QG1  ILE  69           QG1      ILE  69  -4.831   1.419  -3.818
  727    QG2  ILE  69           QG2      ILE  69  -5.256   4.658  -3.726
  728    QD1  ILE  69           QD1      ILE  69  -7.109   1.857  -3.582
  729    H    GLY  70           HN       GLY  70  -3.631   2.844  -7.660
  730   1HA   GLY  70          1HA       GLY  70  -3.492   4.487  -9.675
  731   2HA   GLY  70          2HA       GLY  70  -3.442   5.721  -8.420
  732    QA   GLY  70           QA       GLY  70  -3.467   5.104  -9.048
  733    H    GLY  71           HN       GLY  71  -1.387   6.446  -8.218
  734   1HA   GLY  71          1HA       GLY  71   0.841   4.480  -8.594
  735   2HA   GLY  71          2HA       GLY  71   0.994   6.205  -8.878
  736    QA   GLY  71           QA       GLY  71   0.917   5.343  -8.736
  737    OH   TYR  72           OH       TYR  72   3.977   8.384   0.662
  738    H    TYR  72           HN       TYR  72   0.210   7.440  -6.657
  739    HA   TYR  72           HA       TYR  72   1.029   6.068  -4.240
  740   1HB   TYR  72          2HB       TYR  72   3.293   6.358  -5.134
  741   2HB   TYR  72          3HB       TYR  72   3.002   8.071  -5.423
  742    HD1  TYR  72           HD1      TYR  72   2.680   9.617  -3.488
  743    HD2  TYR  72           HD2      TYR  72   3.833   5.561  -2.875
  744    HE1  TYR  72           HE1      TYR  72   3.149  10.104  -1.136
  745    HE2  TYR  72           HE2      TYR  72   4.308   6.065  -0.517
  746    HH   TYR  72           HH       TYR  72   3.236   8.013   1.169
  747    QB   TYR  72           QB       TYR  72   3.147   7.214  -5.278
  748    QR   TYR  72           QR       TYR  72   3.493   7.837  -2.004
  749    H    THR  73           HN       THR  73   1.173   9.339  -5.613
  750    HA   THR  73           HA       THR  73   0.439  10.902  -3.437
  751    HB   THR  73           HB       THR  73  -0.846  12.279  -5.326
  752    HG1  THR  73          1HG       THR  73  -1.236  10.812  -6.856
  753   1HG2  THR  73          3HG2      THR  73   1.645  12.630  -4.763
  754   2HG2  THR  73          1HG2      THR  73   2.022  11.362  -5.928
  755   3HG2  THR  73          2HG2      THR  73   1.273  12.863  -6.467
  756    QG2  THR  73           QG2      THR  73   1.647  12.285  -5.719
  757    H    ASP  74           HN       ASP  74  -1.596   9.197  -5.659
  758    HA   ASP  74           HA       ASP  74  -4.166   9.671  -4.671
  759   1HB   ASP  74          2HB       ASP  74  -4.491   7.150  -5.484
  760   2HB   ASP  74          3HB       ASP  74  -4.139   8.420  -6.645
  761    QB   ASP  74           QB       ASP  74  -4.315   7.785  -6.064
  762    H    PHE  75           HN       PHE  75  -2.375   6.668  -3.952
  763    HA   PHE  75           HA       PHE  75  -4.008   5.880  -1.794
  764   1HB   PHE  75          2HB       PHE  75  -2.278   4.430  -2.833
  765   2HB   PHE  75          3HB       PHE  75  -1.026   5.382  -2.042
  766    HD1  PHE  75          2HD       PHE  75  -4.156   3.442  -1.202
  767    HD2  PHE  75          1HD       PHE  75  -0.321   4.747   0.084
  768    HE1  PHE  75          2HE       PHE  75  -4.390   2.138   0.863
  769    HE2  PHE  75          1HE       PHE  75  -0.576   3.478   2.165
  770    HZ   PHE  75           HZ       PHE  75  -2.603   2.135   2.538
  771    QB   PHE  75           QB       PHE  75  -1.652   4.906  -2.438
  772    QR   PHE  75           QR       PHE  75  -2.361   3.451   0.478
  773    H    ALA  76           HN       ALA  76  -1.210   8.029  -1.743
  774    HA   ALA  76           HA       ALA  76  -0.944   8.326   1.064
  775   1HB   ALA  76          1HB       ALA  76   0.681   9.222  -0.581
  776   2HB   ALA  76          2HB       ALA  76  -0.491  10.433  -1.078
  777   3HB   ALA  76          3HB       ALA  76   0.175  10.468   0.553
  778    QB   ALA  76           QB       ALA  76   0.122  10.041  -0.369
  779    H    ALA  77           HN       ALA  77  -2.724  10.500  -1.142
  780    HA   ALA  77           HA       ALA  77  -3.980  11.949   1.066
  781   1HB   ALA  77          1HB       ALA  77  -4.791  11.734  -1.875
  782   2HB   ALA  77          2HB       ALA  77  -5.421  12.913  -0.726
  783   3HB   ALA  77          3HB       ALA  77  -3.728  12.962  -1.198
  784    QB   ALA  77           QB       ALA  77  -4.647  12.536  -1.266
  785    CH2  TRP  78           CH2      TRP  78  -7.313   3.010   1.701
  786    H    TRP  78           HN       TRP  78  -5.040   9.498  -1.213
  787    HA   TRP  78           HA       TRP  78  -7.659   9.032  -0.480
  788   1HB   TRP  78          2HB       TRP  78  -6.618   7.704  -2.194
  789   2HB   TRP  78          3HB       TRP  78  -5.440   7.082  -1.080
  790    HD1  TRP  78           HD1      TRP  78  -9.102   6.561  -2.138
  791    HE1  TRP  78           HE1      TRP  78 -10.037   4.553  -0.990
  792    HE3  TRP  78           HE3      TRP  78  -5.170   5.455   0.723
  793    HZ2  TRP  78           HZ2      TRP  78  -9.275   2.681   0.917
  794    HZ3  TRP  78           HZ3      TRP  78  -5.339   3.557   2.301
  795    HH2  TRP  78           HH2      TRP  78  -7.360   2.168   2.377
  796    QB   TRP  78           QB       TRP  78  -6.029   7.393  -1.637
  797    H    VAL  79           HN       VAL  79  -4.786   7.634   1.080
  798    HA   VAL  79           HA       VAL  79  -5.866   6.211   3.188
  799    HB   VAL  79           HB       VAL  79  -3.417   7.971   2.976
  800   1HG1  VAL  79          3HG1      VAL  79  -4.290   6.528   5.490
  801   2HG1  VAL  79          1HG1      VAL  79  -2.695   7.219   5.236
  802   3HG1  VAL  79          2HG1      VAL  79  -4.101   8.264   5.321
  803   1HG2  VAL  79          1HG2      VAL  79  -3.426   5.674   1.994
  804   2HG2  VAL  79          2HG2      VAL  79  -2.245   5.829   3.283
  805   3HG2  VAL  79          3HG2      VAL  79  -3.778   5.015   3.580
  806    QG1  VAL  79           QG1      VAL  79  -3.696   7.337   5.349
  807    QG2  VAL  79           QG2      VAL  79  -3.150   5.506   2.952
  808    QQG  VAL  79           QQG      VAL  79  -3.423   6.422   4.150
  809    H    LYS  80           HN       LYS  80  -4.944   9.629   3.488
  810    HA   LYS  80           HA       LYS  80  -6.241  10.232   5.887
  811   1HB   LYS  80          2HB       LYS  80  -4.781  11.630   4.156
  812   2HB   LYS  80          3HB       LYS  80  -6.327  12.222   3.619
  813   1HG   LYS  80          2HG       LYS  80  -5.162  12.391   6.429
  814   2HG   LYS  80          3HG       LYS  80  -5.385  13.727   5.322
  815   1HD   LYS  80          2HD       LYS  80  -7.669  12.091   6.468
  816   2HD   LYS  80          3HD       LYS  80  -7.100  13.580   7.174
  817   1HE   LYS  80          2HE       LYS  80  -8.477  14.716   5.809
  818   2HE   LYS  80          3HE       LYS  80  -7.515  14.172   4.443
  819   1HZ   LYS  80          2HZ       LYS  80  -9.235  12.091   5.247
  820   2HZ   LYS  80          3HZ       LYS  80 -10.158  13.508   5.065
  821   3HZ   LYS  80          1HZ       LYS  80  -9.173  12.945   3.768
  822    QB   LYS  80           QB       LYS  80  -5.554  11.926   3.888
  823    QG   LYS  80           QG       LYS  80  -5.273  13.059   5.876
  824    QD   LYS  80           QD       LYS  80  -7.385  12.836   6.821
  825    QE   LYS  80           QE       LYS  80  -7.996  14.444   5.126
  826    QZ   LYS  80           QZ       LYS  80  -9.522  12.848   4.693
  827    H    GLU  81           HN       GLU  81  -7.672  10.605   2.629
  828    HA   GLU  81           HA       GLU  81 -10.274  11.379   3.569
  829   1HB   GLU  81          2HB       GLU  81  -9.300  10.185   0.972
  830   2HB   GLU  81          3HB       GLU  81 -11.007  10.484   1.239
  831   1HG   GLU  81          2HG       GLU  81 -10.139  12.411   0.099
  832   2HG   GLU  81          3HG       GLU  81 -10.412  12.902   1.762
  833    QB   GLU  81           QB       GLU  81 -10.154  10.335   1.106
  834    QG   GLU  81           QG       GLU  81 -10.276  12.656   0.931
  835    H    ASN  82           HN       ASN  82  -8.891   8.218   3.543
  836    HA   ASN  82           HA       ASN  82 -11.655   7.091   3.828
  837   1HB   ASN  82          2HB       ASN  82  -9.036   5.772   3.049
  838   2HB   ASN  82          3HB       ASN  82 -10.495   4.861   3.417
  839   1HD2  ASN  82          2HD2      ASN  82 -10.464   7.169   0.021
  840   2HD2  ASN  82          1HD2      ASN  82  -9.534   7.659   1.362
  841    QB   ASN  82           QB       ASN  82  -9.766   5.316   3.233
  842    QD2  ASN  82           QD2      ASN  82  -9.999   7.414   0.692
  843    H    LEU  83           HN       LEU  83  -8.563   7.255   5.460
  844    HA   LEU  83           HA       LEU  83  -9.554   5.439   7.569
  845   1HB   LEU  83          2HB       LEU  83  -6.890   6.881   7.460
  846   2HB   LEU  83          3HB       LEU  83  -7.303   5.482   8.438
  847    HG   LEU  83           HG       LEU  83  -7.037   5.575   5.409
  848   1HD1  LEU  83          1HD1      LEU  83  -4.945   5.345   6.793
  849   2HD1  LEU  83          2HD1      LEU  83  -5.627   3.894   7.505
  850   3HD1  LEU  83          3HD1      LEU  83  -5.267   3.941   5.784
  851   1HD2  LEU  83          2HD2      LEU  83  -7.978   3.296   7.195
  852   2HD2  LEU  83          3HD2      LEU  83  -8.970   4.143   6.011
  853   3HD2  LEU  83          1HD2      LEU  83  -7.618   3.155   5.480
  854    QB   LEU  83           QB       LEU  83  -7.096   6.181   7.949
  855    QD1  LEU  83           QD1      LEU  83  -5.280   4.394   6.694
  856    QD2  LEU  83           QD2      LEU  83  -8.189   3.531   6.229
  857    QQD  LEU  83           QQD      LEU  83  -6.734   3.962   6.461
  858    H    ASP  84           HN       ASP  84  -9.220   8.820   6.976
  859    HA   ASP  84           HA       ASP  84  -9.784   9.369   9.875
  860   1HB   ASP  84          2HB       ASP  84  -8.944  11.448   7.844
  861   2HB   ASP  84          3HB       ASP  84  -8.828  11.530   9.589
  862    QB   ASP  84           QB       ASP  84  -8.886  11.489   8.717
  863    H    ALA  85           HN       ALA  85 -10.434  10.447   6.636
  864    HA   ALA  85           HA       ALA  85 -12.783  10.459   5.770
  865   1HB   ALA  85          3HB       ALA  85 -13.310  12.021   8.325
  866   2HB   ALA  85          1HB       ALA  85 -14.480  11.740   7.040
  867   3HB   ALA  85          2HB       ALA  85 -13.888  10.389   8.000
  868    QB   ALA  85           QB       ALA  85 -13.893  11.383   7.788
   
  Start of MODEL           6
 Raw file had 868 H/Q atoms
  Start of MODEL    6
    1    H    MET   1           HN       MET   1 -11.214  -4.934   4.436
    2    HA   MET   1           HA       MET   1  -9.995  -3.387   2.416
    3   1HB   MET   1          2HB       MET   1 -10.335  -1.491   3.973
    4   2HB   MET   1          3HB       MET   1 -11.771  -2.491   3.845
    5   1HG   MET   1          2HG       MET   1 -11.367  -3.515   5.966
    6   2HG   MET   1          3HG       MET   1  -9.740  -2.893   6.052
    7   1HE   MET   1          1HE       MET   1  -9.580  -0.158   5.524
    8   2HE   MET   1          2HE       MET   1 -10.099   0.766   6.932
    9   3HE   MET   1          3HE       MET   1  -9.052  -0.637   7.143
   10    QB   MET   1           QB       MET   1 -11.053  -1.991   3.909
   11    QG   MET   1           QG       MET   1 -10.553  -3.204   6.009
   12    QE   MET   1           QE       MET   1  -9.577  -0.010   6.533
   13    H    GLN   2           HN       GLN   2  -7.943  -5.013   2.780
   14    HA   GLN   2           HA       GLN   2  -6.028  -3.552   4.550
   15   1HB   GLN   2          2HB       GLN   2  -5.794  -6.340   3.358
   16   2HB   GLN   2          3HB       GLN   2  -4.640  -5.569   4.435
   17   1HG   GLN   2          2HG       GLN   2  -6.552  -5.331   6.125
   18   2HG   GLN   2          3HG       GLN   2  -7.501  -6.377   5.076
   19   1HE2  GLN   2          2HE2      GLN   2  -4.135  -8.256   6.395
   20   2HE2  GLN   2          1HE2      GLN   2  -4.005  -6.794   5.547
   21    QB   GLN   2           QB       GLN   2  -5.217  -5.955   3.896
   22    QG   GLN   2           QG       GLN   2  -7.026  -5.854   5.600
   23    QE2  GLN   2           QE2      GLN   2  -4.070  -7.525   5.971
   24    H    THR   3           HN       THR   3  -3.712  -3.669   3.524
   25    HA   THR   3           HA       THR   3  -4.058  -2.804   0.674
   26    HB   THR   3           HB       THR   3  -1.966  -1.950   2.714
   27    HG1  THR   3          1HG       THR   3  -3.712  -0.933   3.390
   28   1HG2  THR   3          2HG2      THR   3  -1.323  -1.612   0.275
   29   2HG2  THR   3          3HG2      THR   3  -2.821  -0.715   0.055
   30   3HG2  THR   3          1HG2      THR   3  -1.574  -0.094   1.127
   31    QG2  THR   3           QG2      THR   3  -1.906  -0.807   0.486
   32    H    VAL   4           HN       VAL   4  -2.778  -3.526  -0.911
   33    HA   VAL   4           HA       VAL   4  -0.574  -5.475  -0.254
   34    HB   VAL   4           HB       VAL   4  -2.403  -5.366  -2.692
   35   1HG1  VAL   4          1HG1      VAL   4  -0.178  -7.305  -1.927
   36   2HG1  VAL   4          2HG1      VAL   4  -1.242  -7.487  -3.317
   37   3HG1  VAL   4          3HG1      VAL   4  -0.117  -6.137  -3.245
   38   1HG2  VAL   4          3HG2      VAL   4  -3.547  -6.245  -0.674
   39   2HG2  VAL   4          1HG2      VAL   4  -3.278  -7.532  -1.847
   40   3HG2  VAL   4          2HG2      VAL   4  -2.237  -7.397  -0.430
   41    QG1  VAL   4           QG1      VAL   4  -0.513  -6.976  -2.829
   42    QG2  VAL   4           QG2      VAL   4  -3.021  -7.058  -0.984
   43    QQG  VAL   4           QQG      VAL   4  -1.767  -7.017  -1.907
   44    H    ILE   5           HN       ILE   5   1.355  -4.731  -0.894
   45    HA   ILE   5           HA       ILE   5   1.396  -2.429  -2.832
   46    HB   ILE   5           HB       ILE   5   3.599  -3.244  -0.909
   47   1HG1  ILE   5          2HG1      ILE   5   1.467  -2.661   0.318
   48   2HG1  ILE   5          3HG1      ILE   5   2.817  -1.592   0.667
   49   1HG2  ILE   5          3HG2      ILE   5   3.038  -0.701  -2.469
   50   2HG2  ILE   5          1HG2      ILE   5   4.338  -0.889  -1.294
   51   3HG2  ILE   5          2HG2      ILE   5   4.332  -1.854  -2.769
   52   1HD1  ILE   5          3HD1      ILE   5   0.570  -0.997  -1.285
   53   2HD1  ILE   5          1HD1      ILE   5   0.740  -0.307   0.327
   54   3HD1  ILE   5          2HD1      ILE   5   1.917   0.075  -0.915
   55    QG1  ILE   5           QG1      ILE   5   2.142  -2.127   0.493
   56    QG2  ILE   5           QG2      ILE   5   3.903  -1.148  -2.177
   57    QD1  ILE   5           QD1      ILE   5   1.076  -0.410  -0.624
   58    H    PHE   6           HN       PHE   6   2.139  -2.901  -4.823
   59    HA   PHE   6           HA       PHE   6   3.831  -5.323  -5.229
   60   1HB   PHE   6          2HB       PHE   6   2.368  -3.554  -7.232
   61   2HB   PHE   6          3HB       PHE   6   3.289  -4.992  -7.647
   62    HD1  PHE   6          2HD       PHE   6   0.280  -3.761  -5.893
   63    HD2  PHE   6          1HD       PHE   6   2.372  -7.201  -7.272
   64    HE1  PHE   6          2HE       PHE   6  -1.689  -5.149  -5.440
   65    HE2  PHE   6          1HE       PHE   6   0.400  -8.582  -6.820
   66    HZ   PHE   6           HZ       PHE   6  -1.636  -7.563  -5.902
   67    QB   PHE   6           QB       PHE   6   2.829  -4.273  -7.440
   68    QR   PHE   6           QR       PHE   6   0.341  -6.173  -6.356
   69    H    GLY   7           HN       GLY   7   5.660  -4.280  -4.346
   70   1HA   GLY   7          1HA       GLY   7   6.929  -2.322  -6.219
   71   2HA   GLY   7          2HA       GLY   7   7.000  -2.050  -4.477
   72    QA   GLY   7           QA       GLY   7   6.964  -2.186  -5.348
   73    NH1  ARG   8           NH1      ARG   8  12.069  -6.694  -4.780
   74    NH2  ARG   8           NH2      ARG   8  12.804  -7.907  -6.523
   75    H    ARG   8           HN       ARG   8   9.353  -2.123  -5.283
   76    HA   ARG   8           HA       ARG   8  10.338  -4.931  -5.342
   77   1HB   ARG   8          2HB       ARG   8  11.549  -2.236  -6.078
   78   2HB   ARG   8          3HB       ARG   8  12.595  -3.611  -5.789
   79   1HG   ARG   8          2HG       ARG   8  10.302  -3.596  -7.781
   80   2HG   ARG   8          3HG       ARG   8  11.978  -3.275  -8.213
   81   1HD   ARG   8          2HD       ARG   8  10.690  -5.850  -7.360
   82   2HD   ARG   8          3HD       ARG   8  11.862  -5.563  -8.638
   83    HE   ARG   8           HE       ARG   8  13.515  -5.161  -6.617
   84   1HH1  ARG   8          2HH1      ARG   8  11.922  -5.808  -4.348
   85   2HH1  ARG   8          1HH1      ARG   8  11.832  -7.535  -4.283
   86   1HH2  ARG   8          2HH2      ARG   8  13.189  -7.953  -7.440
   87   2HH2  ARG   8          1HH2      ARG   8  12.587  -8.749  -6.020
   88    QB   ARG   8           QB       ARG   8  12.072  -2.923  -5.934
   89    QG   ARG   8           QG       ARG   8  11.140  -3.435  -7.997
   90    QD   ARG   8           QD       ARG   8  11.276  -5.707  -7.999
   91    QH1  ARG   8           QH1      ARG   8  11.877  -6.672  -4.316
   92    QH2  ARG   8           QH2      ARG   8  12.888  -8.351  -6.730
   93    H    SER   9           HN       SER   9  11.453  -1.870  -3.972
   94    HA   SER   9           HA       SER   9  11.875  -1.305  -1.712
   95   1HB   SER   9          2HB       SER   9  12.037  -4.300  -1.178
   96   2HB   SER   9          3HB       SER   9  12.343  -3.036   0.016
   97    HG   SER   9           HG       SER   9   9.968  -3.519  -1.467
   98    QB   SER   9           QB       SER   9  12.190  -3.668  -0.581
   99    H    GLY  10           HN       GLY  10  13.867  -0.856  -0.823
  100   1HA   GLY  10          1HA       GLY  10  16.295  -1.218  -0.652
  101   2HA   GLY  10          2HA       GLY  10  16.233  -2.050  -2.213
  102    QA   GLY  10           QA       GLY  10  16.264  -1.634  -1.433
  103    H    CYS  11           HN       CYS  11  14.206  -0.027  -3.040
  104    HA   CYS  11           HA       CYS  11  16.056   2.203  -3.772
  105   1HB   CYS  11          2HB       CYS  11  14.090   2.380  -5.592
  106   2HB   CYS  11          3HB       CYS  11  15.464   1.323  -5.804
  107    QB   CYS  11           QB       CYS  11  14.777   1.851  -5.698
  108    HA   PRO  12           HA       PRO  12  13.827   5.058  -1.460
  109   1HB   PRO  12          2HB       PRO  12  13.490   7.174  -3.298
  110   2HB   PRO  12          3HB       PRO  12  14.904   6.902  -2.275
  111   1HG   PRO  12          2HG       PRO  12  14.513   6.253  -5.182
  112   2HG   PRO  12          3HG       PRO  12  15.994   6.713  -4.332
  113   1HD   PRO  12          2HD       PRO  12  15.449   4.122  -5.087
  114   2HD   PRO  12          3HD       PRO  12  16.437   4.514  -3.662
  115    QB   PRO  12           QB       PRO  12  14.197   7.038  -2.786
  116    QG   PRO  12           QG       PRO  12  15.253   6.483  -4.757
  117    QD   PRO  12           QD       PRO  12  15.943   4.318  -4.375
  118    OH   TYR  13           OH       TYR  13   5.056   8.090  -6.105
  119    H    TYR  13           HN       TYR  13  12.471   5.219  -4.762
  120    HA   TYR  13           HA       TYR  13   9.824   5.876  -3.832
  121   1HB   TYR  13          2HB       TYR  13  10.901   6.133  -6.260
  122   2HB   TYR  13          3HB       TYR  13  10.142   4.563  -6.511
  123    HD1  TYR  13           HD1      TYR  13   7.620   4.407  -5.568
  124    HD2  TYR  13           HD2      TYR  13   9.550   8.050  -6.625
  125    HE1  TYR  13           HE1      TYR  13   5.463   5.544  -5.589
  126    HE2  TYR  13           HE2      TYR  13   7.369   9.178  -6.673
  127    HH   TYR  13           HH       TYR  13   4.582   7.839  -6.906
  128    QB   TYR  13           QB       TYR  13  10.521   5.348  -6.385
  129    QR   TYR  13           QR       TYR  13   7.500   6.795  -6.114
  130    H    CYS  14           HN       CYS  14  11.223   2.715  -4.834
  131    HA   CYS  14           HA       CYS  14   8.738   1.266  -4.659
  132   1HB   CYS  14          2HB       CYS  14  10.087  -0.694  -4.157
  133   2HB   CYS  14          3HB       CYS  14  10.680   0.177  -5.544
  134    QB   CYS  14           QB       CYS  14  10.384  -0.259  -4.851
  135    H    VAL  15           HN       VAL  15  11.249   1.792  -2.218
  136    HA   VAL  15           HA       VAL  15   9.964   0.644  -0.008
  137    HB   VAL  15           HB       VAL  15  11.885   2.994  -0.184
  138   1HG1  VAL  15          2HG1      VAL  15  10.647   2.895   2.011
  139   2HG1  VAL  15          3HG1      VAL  15  11.198   1.242   2.204
  140   3HG1  VAL  15          1HG1      VAL  15  12.365   2.552   2.183
  141   1HG2  VAL  15          2HG2      VAL  15  12.673   0.817  -1.118
  142   2HG2  VAL  15          3HG2      VAL  15  13.559   1.254   0.338
  143   3HG2  VAL  15          1HG2      VAL  15  12.289   0.033   0.409
  144    QG1  VAL  15           QG1      VAL  15  11.403   2.230   2.133
  145    QG2  VAL  15           QG2      VAL  15  12.841   0.701  -0.124
  146    QQG  VAL  15           QQG      VAL  15  12.122   1.466   1.004
  147    NH1  ARG  16           NH1      ARG  16  10.563   5.470   1.628
  148    NH2  ARG  16           NH2      ARG  16   9.478   6.722   3.178
  149    H    ARG  16           HN       ARG  16   9.823   4.043  -1.104
  150    HA   ARG  16           HA       ARG  16   8.356   5.317   0.757
  151   1HB   ARG  16          2HB       ARG  16   8.023   5.383  -2.214
  152   2HB   ARG  16          3HB       ARG  16   6.865   6.260  -1.235
  153   1HG   ARG  16          2HG       ARG  16   9.884   6.592  -1.114
  154   2HG   ARG  16          3HG       ARG  16   8.762   7.714  -1.863
  155   1HD   ARG  16          2HD       ARG  16   8.461   8.733   0.140
  156   2HD   ARG  16          3HD       ARG  16   7.803   7.239   0.806
  157    HE   ARG  16           HE       ARG  16  10.649   8.129   0.998
  158   1HH1  ARG  16          1HH1      ARG  16  10.918   5.375   0.697
  159   2HH1  ARG  16          2HH1      ARG  16  10.657   4.720   2.290
  160   1HH2  ARG  16          2HH2      ARG  16   9.035   7.587   3.423
  161   2HH2  ARG  16          1HH2      ARG  16   9.544   5.977   3.855
  162    QB   ARG  16           QB       ARG  16   7.444   5.822  -1.724
  163    QG   ARG  16           QG       ARG  16   9.323   7.153  -1.488
  164    QD   ARG  16           QD       ARG  16   8.132   7.986   0.473
  165    QH1  ARG  16           QH1      ARG  16  10.788   5.047   1.493
  166    QH2  ARG  16           QH2      ARG  16   9.289   6.782   3.639
  167    H    ALA  17           HN       ALA  17   6.701   3.106  -1.492
  168    HA   ALA  17           HA       ALA  17   4.133   3.449  -0.253
  169   1HB   ALA  17          2HB       ALA  17   5.235   1.081  -1.788
  170   2HB   ALA  17          3HB       ALA  17   3.536   1.355  -1.425
  171   3HB   ALA  17          1HB       ALA  17   4.396   2.464  -2.484
  172    QB   ALA  17           QB       ALA  17   4.389   1.633  -1.899
  173    H    LYS  18           HN       LYS  18   6.738   1.131   0.322
  174    HA   LYS  18           HA       LYS  18   5.344  -0.504   2.238
  175   1HB   LYS  18          2HB       LYS  18   7.272  -1.569   1.538
  176   2HB   LYS  18          3HB       LYS  18   8.196  -0.088   1.452
  177   1HG   LYS  18          2HG       LYS  18   7.397  -0.847   4.214
  178   2HG   LYS  18          3HG       LYS  18   8.460  -2.001   3.424
  179   1HD   LYS  18          2HD       LYS  18  10.080  -0.254   2.906
  180   2HD   LYS  18          3HD       LYS  18   9.020   0.992   3.540
  181   1HE   LYS  18          2HE       LYS  18  10.201  -1.284   5.176
  182   2HE   LYS  18          3HE       LYS  18  10.819   0.366   5.147
  183   1HZ   LYS  18          1HZ       LYS  18   8.064   0.431   5.692
  184   2HZ   LYS  18          2HZ       LYS  18   8.797  -0.671   6.762
  185   3HZ   LYS  18          3HZ       LYS  18   9.346   0.946   6.676
  186    QB   LYS  18           QB       LYS  18   7.734  -0.828   1.495
  187    QG   LYS  18           QG       LYS  18   7.928  -1.424   3.819
  188    QD   LYS  18           QD       LYS  18   9.550   0.369   3.223
  189    QE   LYS  18           QE       LYS  18  10.510  -0.459   5.161
  190    QZ   LYS  18           QZ       LYS  18   8.735   0.235   6.377
  191    H    ASP  19           HN       ASP  19   7.519   2.250   2.604
  192    HA   ASP  19           HA       ASP  19   7.428   2.388   5.432
  193   1HB   ASP  19          2HB       ASP  19   7.933   4.415   3.292
  194   2HB   ASP  19          3HB       ASP  19   7.599   4.998   4.912
  195    QB   ASP  19           QB       ASP  19   7.766   4.707   4.102
  196    H    LEU  20           HN       LEU  20   5.348   3.962   3.014
  197    HA   LEU  20           HA       LEU  20   3.680   5.219   4.920
  198   1HB   LEU  20          2HB       LEU  20   3.622   5.741   2.529
  199   2HB   LEU  20          3HB       LEU  20   2.973   4.146   2.169
  200    HG   LEU  20           HG       LEU  20   0.895   4.656   3.286
  201   1HD1  LEU  20          2HD1      LEU  20   2.210   7.259   4.169
  202   2HD1  LEU  20          3HD1      LEU  20   0.523   6.839   4.424
  203   3HD1  LEU  20          1HD1      LEU  20   1.780   5.920   5.227
  204   1HD2  LEU  20          2HD2      LEU  20   1.186   5.616   1.007
  205   2HD2  LEU  20          3HD2      LEU  20   0.123   6.614   1.992
  206   3HD2  LEU  20          1HD2      LEU  20   1.794   7.103   1.716
  207    QB   LEU  20           QB       LEU  20   3.297   4.943   2.349
  208    QD1  LEU  20           QD1      LEU  20   1.504   6.673   4.607
  209    QD2  LEU  20           QD2      LEU  20   1.034   6.444   1.572
  210    QQD  LEU  20           QQD      LEU  20   1.269   6.558   3.089
  211    H    ALA  21           HN       ALA  21   3.074   2.056   3.273
  212    HA   ALA  21           HA       ALA  21   0.786   1.394   4.784
  213   1HB   ALA  21          2HB       ALA  21   1.582  -0.018   2.913
  214   2HB   ALA  21          3HB       ALA  21   2.970  -0.520   3.871
  215   3HB   ALA  21          1HB       ALA  21   1.349  -0.982   4.356
  216    QB   ALA  21           QB       ALA  21   1.967  -0.507   3.713
  217    H    GLU  22           HN       GLU  22   4.163   0.585   5.560
  218    HA   GLU  22           HA       GLU  22   3.754  -0.639   8.058
  219   1HB   GLU  22          2HB       GLU  22   5.892  -0.799   7.092
  220   2HB   GLU  22          3HB       GLU  22   6.013   0.934   6.825
  221   1HG   GLU  22          2HG       GLU  22   6.113   1.228   9.355
  222   2HG   GLU  22          3HG       GLU  22   6.169  -0.526   9.477
  223    QB   GLU  22           QB       GLU  22   5.952   0.068   6.958
  224    QG   GLU  22           QG       GLU  22   6.141   0.351   9.416
  225    H    LYS  23           HN       LYS  23   4.364   2.784   7.368
  226    HA   LYS  23           HA       LYS  23   4.456   3.628  10.074
  227   1HB   LYS  23          2HB       LYS  23   4.782   4.761   7.524
  228   2HB   LYS  23          3HB       LYS  23   3.392   5.558   8.147
  229   1HG   LYS  23          2HG       LYS  23   4.709   6.842   9.469
  230   2HG   LYS  23          3HG       LYS  23   5.349   5.413  10.256
  231   1HD   LYS  23          2HD       LYS  23   6.384   6.257   7.537
  232   2HD   LYS  23          3HD       LYS  23   6.984   7.032   8.989
  233   1HE   LYS  23          2HE       LYS  23   8.516   5.258   8.518
  234   2HE   LYS  23          3HE       LYS  23   7.559   4.718   9.882
  235   1HZ   LYS  23          3HZ       LYS  23   6.241   3.813   7.580
  236   2HZ   LYS  23          1HZ       LYS  23   7.906   3.481   7.369
  237   3HZ   LYS  23          2HZ       LYS  23   7.100   2.892   8.734
  238    QB   LYS  23           QB       LYS  23   4.087   5.160   7.835
  239    QG   LYS  23           QG       LYS  23   5.029   6.128   9.862
  240    QD   LYS  23           QD       LYS  23   6.684   6.645   8.263
  241    QE   LYS  23           QE       LYS  23   8.038   4.988   9.200
  242    QZ   LYS  23           QZ       LYS  23   7.082   3.395   7.894
  243    H    LEU  24           HN       LEU  24   1.883   3.624   7.645
  244    HA   LEU  24           HA       LEU  24  -0.209   4.653   9.203
  245   1HB   LEU  24          2HB       LEU  24  -0.281   2.466   7.091
  246   2HB   LEU  24          3HB       LEU  24  -1.720   3.233   7.749
  247    HG   LEU  24           HG       LEU  24   0.538   4.769   6.424
  248   1HD1  LEU  24          2HD1      LEU  24  -2.113   3.815   5.289
  249   2HD1  LEU  24          3HD1      LEU  24  -1.001   4.903   4.469
  250   3HD1  LEU  24          1HD1      LEU  24  -0.522   3.242   4.809
  251   1HD2  LEU  24          1HD2      LEU  24  -2.303   5.514   7.205
  252   2HD2  LEU  24          2HD2      LEU  24  -0.828   6.123   7.946
  253   3HD2  LEU  24          3HD2      LEU  24  -1.218   6.551   6.288
  254    QB   LEU  24           QB       LEU  24  -1.000   2.849   7.420
  255    QD1  LEU  24           QD1      LEU  24  -1.212   3.987   4.855
  256    QD2  LEU  24           QD2      LEU  24  -1.450   6.063   7.146
  257    QQD  LEU  24           QQD      LEU  24  -1.331   5.025   6.001
  258    H    SER  25           HN       SER  25   0.686   1.218   8.789
  259    HA   SER  25           HA       SER  25  -1.206   0.273  10.713
  260   1HB   SER  25          2HB       SER  25   0.418  -1.737  10.918
  261   2HB   SER  25          3HB       SER  25  -0.239  -1.384   9.313
  262    HG   SER  25           HG       SER  25   2.009   0.080   9.983
  263    QB   SER  25           QB       SER  25   0.090  -1.560  10.115
  264    H    ASN  26           HN       ASN  26   1.643   2.061  11.296
  265    HA   ASN  26           HA       ASN  26   1.545   1.306  14.203
  266   1HB   ASN  26          2HB       ASN  26   3.723   0.812  12.958
  267   2HB   ASN  26          3HB       ASN  26   3.902   2.554  12.751
  268   1HD2  ASN  26          2HD2      ASN  26   5.193   2.959  16.012
  269   2HD2  ASN  26          1HD2      ASN  26   4.954   3.623  14.468
  270    QB   ASN  26           QB       ASN  26   3.813   1.683  12.855
  271    QD2  ASN  26           QD2      ASN  26   5.073   3.291  15.240
  272    H    GLU  27           HN       GLU  27   0.202   3.423  12.410
  273    HA   GLU  27           HA       GLU  27   0.651   5.754  14.226
  274   1HB   GLU  27          2HB       GLU  27   0.281   5.649  11.221
  275   2HB   GLU  27          3HB       GLU  27  -0.078   7.095  12.133
  276   1HG   GLU  27          2HG       GLU  27   2.253   7.208  12.920
  277   2HG   GLU  27          3HG       GLU  27   2.608   5.683  12.112
  278    QB   GLU  27           QB       GLU  27   0.101   6.372  11.677
  279    QG   GLU  27           QG       GLU  27   2.430   6.445  12.516
  280    NH1  ARG  28           NH2      ARG  28  -6.693   5.040  13.111
  281    NH2  ARG  28           NH1      ARG  28  -7.782   6.376  11.615
  282    H    ARG  28           HN       ARG  28  -1.488   4.153  11.971
  283    HA   ARG  28           HA       ARG  28  -3.870   5.429  13.188
  284   1HB   ARG  28          2HB       ARG  28  -3.355   3.997  10.567
  285   2HB   ARG  28          3HB       ARG  28  -4.979   4.401  11.100
  286   1HG   ARG  28          2HG       ARG  28  -3.008   6.633  11.234
  287   2HG   ARG  28          3HG       ARG  28  -3.416   6.086   9.613
  288   1HD   ARG  28          2HD       ARG  28  -4.929   7.921  10.480
  289   2HD   ARG  28          3HD       ARG  28  -5.788   6.459  10.005
  290    HE   ARG  28           HE       ARG  28  -5.229   7.239  12.850
  291   1HH1  ARG  28          2HH2      ARG  28  -5.867   4.824  13.632
  292   2HH1  ARG  28          1HH2      ARG  28  -7.496   4.450  13.217
  293   1HH2  ARG  28          1HH1      ARG  28  -7.756   7.170  10.991
  294   2HH2  ARG  28          2HH1      ARG  28  -8.631   5.857  11.710
  295    QB   ARG  28           QB       ARG  28  -4.167   4.199  10.833
  296    QG   ARG  28           QG       ARG  28  -3.212   6.359  10.424
  297    QD   ARG  28           QD       ARG  28  -5.358   7.190  10.242
  298    QH1  ARG  28           QH2      ARG  28  -6.681   4.637  13.424
  299    QH2  ARG  28           QH1      ARG  28  -8.193   6.513  11.350
  300    H    ASP  29           HN       ASP  29  -2.449   2.331  12.436
  301    HA   ASP  29           HA       ASP  29  -2.740   0.228  13.417
  302   1HB   ASP  29          2HB       ASP  29  -4.688   1.687  15.217
  303   2HB   ASP  29          3HB       ASP  29  -4.402  -0.040  15.317
  304    QB   ASP  29           QB       ASP  29  -4.545   0.824  15.267
  305    H    ASP  30           HN       ASP  30  -5.723   1.994  12.659
  306    HA   ASP  30           HA       ASP  30  -7.218  -0.397  11.980
  307   1HB   ASP  30          2HB       ASP  30  -7.637   2.482  11.076
  308   2HB   ASP  30          3HB       ASP  30  -8.803   1.183  10.884
  309    QB   ASP  30           QB       ASP  30  -8.220   1.833  10.980
  310    H    PHE  31           HN       PHE  31  -4.513   0.290  10.715
  311    HA   PHE  31           HA       PHE  31  -5.286  -0.247   7.903
  312   1HB   PHE  31          2HB       PHE  31  -4.385   2.019   8.077
  313   2HB   PHE  31          3HB       PHE  31  -2.981   1.425   8.964
  314    HD1  PHE  31          1HD       PHE  31  -1.265   0.090   7.833
  315    HD2  PHE  31          2HD       PHE  31  -4.584   1.610   5.661
  316    HE1  PHE  31          1HE       PHE  31  -0.163  -0.497   5.738
  317    HE2  PHE  31          2HE       PHE  31  -3.508   1.006   3.566
  318    HZ   PHE  31           HZ       PHE  31  -1.278  -0.063   3.590
  319    QB   PHE  31           QB       PHE  31  -3.683   1.722   8.520
  320    QR   PHE  31           QR       PHE  31  -2.380   0.552   5.700
  321    H    GLN  32           HN       GLN  32  -4.647  -2.180   7.304
  322    HA   GLN  32           HA       GLN  32  -2.138  -3.353   8.415
  323   1HB   GLN  32          2HB       GLN  32  -4.735  -4.847   7.833
  324   2HB   GLN  32          3HB       GLN  32  -3.240  -5.571   8.406
  325   1HG   GLN  32          2HG       GLN  32  -4.879  -3.499   9.923
  326   2HG   GLN  32          3HG       GLN  32  -4.802  -5.218  10.296
  327   1HE2  GLN  32          2HE2      GLN  32  -2.153  -2.980  12.100
  328   2HE2  GLN  32          1HE2      GLN  32  -3.717  -2.514  11.650
  329    QB   GLN  32           QB       GLN  32  -3.988  -5.209   8.120
  330    QG   GLN  32           QG       GLN  32  -4.840  -4.358  10.109
  331    QE2  GLN  32           QE2      GLN  32  -2.935  -2.747  11.875
  332    OH   TYR  33           OH       TYR  33   4.338  -2.918   7.562
  333    H    TYR  33           HN       TYR  33  -0.909  -4.513   6.856
  334    HA   TYR  33           HA       TYR  33  -1.947  -4.558   4.071
  335   1HB   TYR  33          2HB       TYR  33   0.031  -3.386   3.220
  336   2HB   TYR  33          3HB       TYR  33  -0.843  -2.367   4.362
  337    HD1  TYR  33           HD1      TYR  33  -0.068  -2.440   6.832
  338    HD2  TYR  33           HD2      TYR  33   2.324  -3.891   3.622
  339    HE1  TYR  33           HE1      TYR  33   1.899  -2.360   8.256
  340    HE2  TYR  33           HE2      TYR  33   4.307  -3.778   5.063
  341    HH   TYR  33           HH       TYR  33   4.026  -2.820   8.472
  342    QB   TYR  33           QB       TYR  33  -0.406  -2.876   3.791
  343    QR   TYR  33           QR       TYR  33   2.115  -3.117   5.943
  344    H    GLN  34           HN       GLN  34  -0.283  -5.424   2.593
  345    HA   GLN  34           HA       GLN  34   1.523  -7.470   3.781
  346   1HB   GLN  34          2HB       GLN  34  -0.444  -8.724   3.124
  347   2HB   GLN  34          3HB       GLN  34  -0.569  -7.846   1.603
  348   1HG   GLN  34          2HG       GLN  34   0.382 -10.104   1.225
  349   2HG   GLN  34          3HG       GLN  34   1.573  -8.871   0.838
  350   1HE2  GLN  34          2HE2      GLN  34   3.855 -10.463   3.000
  351   2HE2  GLN  34          1HE2      GLN  34   3.578  -9.696   1.505
  352    QB   GLN  34           QB       GLN  34  -0.507  -8.285   2.364
  353    QG   GLN  34           QG       GLN  34   0.977  -9.488   1.031
  354    QE2  GLN  34           QE2      GLN  34   3.717 -10.079   2.252
  355    OH   TYR  35           OH       TYR  35   8.789  -4.133  -2.628
  356    H    TYR  35           HN       TYR  35   3.463  -7.658   2.595
  357    HA   TYR  35           HA       TYR  35   3.762  -5.595   0.456
  358   1HB   TYR  35          2HB       TYR  35   5.423  -5.549   2.335
  359   2HB   TYR  35          3HB       TYR  35   5.932  -7.177   1.895
  360    HD1  TYR  35           HD1      TYR  35   6.880  -7.569  -0.439
  361    HD2  TYR  35           HD2      TYR  35   6.252  -3.652   1.092
  362    HE1  TYR  35           HE1      TYR  35   8.234  -6.652  -2.246
  363    HE2  TYR  35           HE2      TYR  35   7.623  -2.729  -0.739
  364    HH   TYR  35           HH       TYR  35   8.783  -4.805  -3.334
  365    QB   TYR  35           QB       TYR  35   5.677  -6.363   2.115
  366    QR   TYR  35           QR       TYR  35   7.247  -5.150  -0.583
  367    H    VAL  36           HN       VAL  36   4.322  -6.150  -1.602
  368    HA   VAL  36           HA       VAL  36   4.731  -9.042  -2.184
  369    HB   VAL  36           HB       VAL  36   2.625  -7.134  -3.130
  370   1HG1  VAL  36          3HG1      VAL  36   3.913  -9.165  -5.001
  371   2HG1  VAL  36          1HG1      VAL  36   2.398  -8.330  -5.297
  372   3HG1  VAL  36          2HG1      VAL  36   3.897  -7.417  -5.220
  373   1HG2  VAL  36          2HG2      VAL  36   2.133  -9.108  -1.716
  374   2HG2  VAL  36          3HG2      VAL  36   1.352  -9.251  -3.290
  375   3HG2  VAL  36          1HG2      VAL  36   2.814 -10.169  -2.947
  376    QG1  VAL  36           QG1      VAL  36   3.402  -8.304  -5.173
  377    QG2  VAL  36           QG2      VAL  36   2.100  -9.509  -2.651
  378    QQG  VAL  36           QQG      VAL  36   2.751  -8.907  -3.912
  379    H    ASP  37           HN       ASP  37   6.049  -9.424  -3.964
  380    HA   ASP  37           HA       ASP  37   7.744  -7.090  -4.849
  381   1HB   ASP  37          2HB       ASP  37   8.951  -8.812  -3.468
  382   2HB   ASP  37          3HB       ASP  37   8.511 -10.032  -4.650
  383    QB   ASP  37           QB       ASP  37   8.731  -9.422  -4.059
  384    H    ILE  38           HN       ILE  38   7.499  -6.638  -6.905
  385    HA   ILE  38           HA       ILE  38   5.833  -8.028  -8.702
  386    HB   ILE  38           HB       ILE  38   7.203  -6.741 -10.496
  387   1HG1  ILE  38          2HG1      ILE  38   8.290  -5.356  -8.027
  388   2HG1  ILE  38          3HG1      ILE  38   9.183  -6.630  -8.847
  389   1HG2  ILE  38          1HG2      ILE  38   5.887  -5.284  -8.160
  390   2HG2  ILE  38          2HG2      ILE  38   6.143  -4.595  -9.760
  391   3HG2  ILE  38          3HG2      ILE  38   5.045  -5.957  -9.553
  392   1HD1  ILE  38          1HD1      ILE  38   8.173  -4.071 -10.153
  393   2HD1  ILE  38          2HD1      ILE  38   9.839  -4.358  -9.659
  394   3HD1  ILE  38          3HD1      ILE  38   9.126  -5.320 -10.949
  395    QG1  ILE  38           QG1      ILE  38   8.736  -5.993  -8.437
  396    QG2  ILE  38           QG2      ILE  38   5.692  -5.278  -9.157
  397    QD1  ILE  38           QD1      ILE  38   9.046  -4.583 -10.254
  398    NH1  ARG  39           NH2      ARG  39  12.220 -14.374  -8.350
  399    NH2  ARG  39           NH1      ARG  39  14.464 -14.800  -8.450
  400    H    ARG  39           HN       ARG  39   9.121  -8.597  -7.811
  401    HA   ARG  39           HA       ARG  39   9.640 -10.430 -10.050
  402   1HB   ARG  39          2HB       ARG  39  11.344  -8.859  -8.976
  403   2HB   ARG  39          3HB       ARG  39  11.308  -9.904  -7.565
  404   1HG   ARG  39          2HG       ARG  39  11.668 -11.470  -9.996
  405   2HG   ARG  39          3HG       ARG  39  12.886 -10.214  -9.877
  406   1HD   ARG  39          2HD       ARG  39  13.653 -11.015  -7.745
  407   2HD   ARG  39          3HD       ARG  39  12.239 -12.042  -7.537
  408    HE   ARG  39           HE       ARG  39  14.281 -12.568  -9.688
  409   1HH1  ARG  39          2HH2      ARG  39  11.468 -13.713  -8.448
  410   2HH1  ARG  39          1HH2      ARG  39  12.017 -15.309  -8.067
  411   1HH2  ARG  39          2HH1      ARG  39  15.395 -14.474  -8.627
  412   2HH2  ARG  39          1HH1      ARG  39  14.322 -15.747  -8.168
  413    QB   ARG  39           QB       ARG  39  11.326  -9.382  -8.270
  414    QG   ARG  39           QG       ARG  39  12.277 -10.842  -9.936
  415    QD   ARG  39           QD       ARG  39  12.946 -11.528  -7.641
  416    QH1  ARG  39           QH2      ARG  39  11.742 -14.511  -8.258
  417    QH2  ARG  39           QH1      ARG  39  14.858 -15.110  -8.397
  418    H    ALA  40           HN       ALA  40   7.706 -10.851  -7.539
  419    HA   ALA  40           HA       ALA  40   8.631 -13.643  -6.936
  420   1HB   ALA  40          1HB       ALA  40   6.807 -11.812  -5.326
  421   2HB   ALA  40          2HB       ALA  40   7.242 -13.456  -4.878
  422   3HB   ALA  40          3HB       ALA  40   8.476 -12.202  -4.925
  423    QB   ALA  40           QB       ALA  40   7.508 -12.490  -5.043
  424    H    GLU  41           HN       GLU  41   5.756 -11.655  -7.310
  425    HA   GLU  41           HA       GLU  41   3.975 -13.890  -7.816
  426   1HB   GLU  41          2HB       GLU  41   3.786 -10.896  -7.898
  427   2HB   GLU  41          3HB       GLU  41   2.545 -11.814  -8.738
  428   1HG   GLU  41          2HG       GLU  41   2.007 -11.238  -6.308
  429   2HG   GLU  41          3HG       GLU  41   1.880 -12.940  -6.715
  430    QB   GLU  41           QB       GLU  41   3.166 -11.355  -8.318
  431    QG   GLU  41           QG       GLU  41   1.943 -12.089  -6.512
  432    H    GLY  42           HN       GLY  42   5.867 -11.712  -9.788
  433   1HA   GLY  42          1HA       GLY  42   6.666 -12.359 -11.992
  434   2HA   GLY  42          2HA       GLY  42   5.278 -13.427 -12.151
  435    QA   GLY  42           QA       GLY  42   5.972 -12.893 -12.071
  436    H    ILE  43           HN       ILE  43   5.531  -9.967 -11.328
  437    HA   ILE  43           HA       ILE  43   3.640  -9.489 -13.620
  438    HB   ILE  43           HB       ILE  43   3.920  -7.700 -11.175
  439   1HG1  ILE  43          2HG1      ILE  43   1.785  -9.799 -11.722
  440   2HG1  ILE  43          3HG1      ILE  43   3.074  -9.999 -10.545
  441   1HG2  ILE  43          2HG2      ILE  43   3.000  -6.708 -13.265
  442   2HG2  ILE  43          3HG2      ILE  43   1.801  -7.995 -13.342
  443   3HG2  ILE  43          1HG2      ILE  43   1.757  -6.825 -12.035
  444   1HD1  ILE  43          3HD1      ILE  43   2.282  -7.985  -9.333
  445   2HD1  ILE  43          1HD1      ILE  43   0.973  -7.800 -10.494
  446   3HD1  ILE  43          2HD1      ILE  43   1.016  -9.202  -9.439
  447    QG1  ILE  43           QG1      ILE  43   2.429  -9.899 -11.134
  448    QG2  ILE  43           QG2      ILE  43   2.186  -7.176 -12.881
  449    QD1  ILE  43           QD1      ILE  43   1.423  -8.329  -9.756
  450    H    THR  44           HN       THR  44   4.068  -7.762 -14.972
  451    HA   THR  44           HA       THR  44   6.839  -6.688 -14.712
  452    HB   THR  44           HB       THR  44   6.656  -6.277 -17.184
  453    HG1  THR  44          1HG       THR  44   4.179  -7.673 -17.024
  454   1HG2  THR  44          1HG2      THR  44   5.638  -9.040 -16.364
  455   2HG2  THR  44          2HG2      THR  44   6.454  -8.645 -17.877
  456   3HG2  THR  44          3HG2      THR  44   7.333  -8.572 -16.355
  457    QG2  THR  44           QG2      THR  44   6.475  -8.752 -16.865
  458    H    LYS  45           HN       LYS  45   4.615  -5.152 -16.788
  459    HA   LYS  45           HA       LYS  45   4.069  -2.910 -14.910
  460   1HB   LYS  45          2HB       LYS  45   6.098  -2.184 -16.011
  461   2HB   LYS  45          3HB       LYS  45   5.536  -2.745 -17.574
  462   1HG   LYS  45          2HG       LYS  45   3.668  -1.011 -17.407
  463   2HG   LYS  45          3HG       LYS  45   4.497  -0.381 -15.985
  464   1HD   LYS  45          2HD       LYS  45   6.408   0.277 -17.241
  465   2HD   LYS  45          3HD       LYS  45   6.006  -0.792 -18.578
  466   1HE   LYS  45          2HE       LYS  45   5.558   1.588 -19.124
  467   2HE   LYS  45          3HE       LYS  45   4.104   0.609 -19.196
  468   1HZ   LYS  45          2HZ       LYS  45   4.411   1.624 -16.571
  469   2HZ   LYS  45          3HZ       LYS  45   4.510   2.891 -17.686
  470   3HZ   LYS  45          1HZ       LYS  45   3.156   1.860 -17.680
  471    QB   LYS  45           QB       LYS  45   5.817  -2.464 -16.792
  472    QG   LYS  45           QG       LYS  45   4.083  -0.696 -16.696
  473    QD   LYS  45           QD       LYS  45   6.207  -0.257 -17.909
  474    QE   LYS  45           QE       LYS  45   4.831   1.098 -19.160
  475    QZ   LYS  45           QZ       LYS  45   4.025   2.125 -17.312
  476    H    GLU  46           HN       GLU  46   3.816  -3.691 -18.345
  477    HA   GLU  46           HA       GLU  46   1.346  -2.613 -18.940
  478   1HB   GLU  46          2HB       GLU  46   2.598  -5.221 -19.874
  479   2HB   GLU  46          3HB       GLU  46   1.142  -4.563 -20.607
  480   1HG   GLU  46          2HG       GLU  46   3.497  -3.986 -21.657
  481   2HG   GLU  46          3HG       GLU  46   2.273  -2.733 -21.549
  482    QB   GLU  46           QB       GLU  46   1.870  -4.892 -20.240
  483    QG   GLU  46           QG       GLU  46   2.885  -3.360 -21.603
  484    H    ASP  47           HN       ASP  47   1.979  -5.700 -17.354
  485    HA   ASP  47           HA       ASP  47  -0.667  -6.672 -17.136
  486   1HB   ASP  47          2HB       ASP  47   1.491  -6.824 -14.994
  487   2HB   ASP  47          3HB       ASP  47   0.132  -7.923 -15.172
  488    QB   ASP  47           QB       ASP  47   0.811  -7.373 -15.083
  489    H    LEU  48           HN       LEU  48   1.147  -5.029 -14.585
  490    HA   LEU  48           HA       LEU  48  -0.802  -4.467 -12.714
  491   1HB   LEU  48          2HB       LEU  48   1.282  -2.492 -13.727
  492   2HB   LEU  48          3HB       LEU  48   0.443  -2.384 -12.191
  493    HG   LEU  48           HG       LEU  48   2.087  -4.809 -12.974
  494   1HD1  LEU  48          1HD1      LEU  48   3.537  -2.796 -12.920
  495   2HD1  LEU  48          2HD1      LEU  48   2.957  -2.433 -11.301
  496   3HD1  LEU  48          3HD1      LEU  48   3.892  -3.890 -11.589
  497   1HD2  LEU  48          3HD2      LEU  48   1.059  -3.762 -10.315
  498   2HD2  LEU  48          1HD2      LEU  48   0.446  -5.169 -11.175
  499   3HD2  LEU  48          2HD2      LEU  48   2.073  -5.183 -10.511
  500    QB   LEU  48           QB       LEU  48   0.862  -2.438 -12.959
  501    QD1  LEU  48           QD1      LEU  48   3.462  -3.040 -11.936
  502    QD2  LEU  48           QD2      LEU  48   1.193  -4.704 -10.667
  503    QQD  LEU  48           QQD      LEU  48   2.327  -3.872 -11.302
  504    H    GLN  49           HN       GLN  49  -0.083  -2.506 -15.536
  505    HA   GLN  49           HA       GLN  49  -2.102  -0.540 -15.284
  506   1HB   GLN  49          2HB       GLN  49  -0.910  -1.813 -17.768
  507   2HB   GLN  49          3HB       GLN  49  -1.950  -0.396 -17.818
  508   1HG   GLN  49          2HG       GLN  49  -0.372   0.811 -16.339
  509   2HG   GLN  49          3HG       GLN  49   0.658  -0.608 -16.250
  510   1HE2  GLN  49          2HE2      GLN  49   0.916   0.156 -20.096
  511   2HE2  GLN  49          1HE2      GLN  49  -0.226  -0.865 -19.362
  512    QB   GLN  49           QB       GLN  49  -1.430  -1.104 -17.793
  513    QG   GLN  49           QG       GLN  49   0.143   0.101 -16.295
  514    QE2  GLN  49           QE2      GLN  49   0.345  -0.354 -19.729
  515    H    GLN  50           HN       GLN  50  -2.305  -3.455 -17.321
  516    HA   GLN  50           HA       GLN  50  -5.086  -3.186 -17.923
  517   1HB   GLN  50          2HB       GLN  50  -3.242  -5.601 -17.824
  518   2HB   GLN  50          3HB       GLN  50  -4.896  -5.697 -18.420
  519   1HG   GLN  50          2HG       GLN  50  -4.450  -4.255 -20.248
  520   2HG   GLN  50          3HG       GLN  50  -2.979  -3.623 -19.514
  521   1HE2  GLN  50          2HE2      GLN  50  -0.929  -6.186 -20.767
  522   2HE2  GLN  50          1HE2      GLN  50  -1.040  -4.791 -19.798
  523    QB   GLN  50           QB       GLN  50  -4.069  -5.649 -18.122
  524    QG   GLN  50           QG       GLN  50  -3.714  -3.939 -19.881
  525    QE2  GLN  50           QE2      GLN  50  -0.984  -5.489 -20.283
  526    H    LYS  51           HN       LYS  51  -3.462  -4.991 -15.391
  527    HA   LYS  51           HA       LYS  51  -5.761  -6.235 -14.263
  528   1HB   LYS  51          2HB       LYS  51  -3.034  -6.311 -13.781
  529   2HB   LYS  51          3HB       LYS  51  -3.621  -5.488 -12.356
  530   1HG   LYS  51          2HG       LYS  51  -5.446  -7.608 -12.762
  531   2HG   LYS  51          3HG       LYS  51  -3.874  -8.297 -13.124
  532   1HD   LYS  51          2HD       LYS  51  -4.327  -8.598 -10.743
  533   2HD   LYS  51          3HD       LYS  51  -3.009  -7.457 -10.945
  534   1HE   LYS  51          2HE       LYS  51  -4.711  -6.739  -9.235
  535   2HE   LYS  51          3HE       LYS  51  -4.472  -5.571 -10.520
  536   1HZ   LYS  51          2HZ       LYS  51  -6.488  -7.379 -11.283
  537   2HZ   LYS  51          3HZ       LYS  51  -6.854  -6.774  -9.745
  538   3HZ   LYS  51          1HZ       LYS  51  -6.607  -5.709 -11.047
  539    QB   LYS  51           QB       LYS  51  -3.328  -5.900 -13.068
  540    QG   LYS  51           QG       LYS  51  -4.660  -7.953 -12.943
  541    QD   LYS  51           QD       LYS  51  -3.668  -8.027 -10.844
  542    QE   LYS  51           QE       LYS  51  -4.592  -6.155  -9.877
  543    QZ   LYS  51           QZ       LYS  51  -6.650  -6.621 -10.691
  544    H    ALA  52           HN       ALA  52  -4.357  -3.079 -13.862
  545    HA   ALA  52           HA       ALA  52  -6.025  -2.386 -11.567
  546   1HB   ALA  52          3HB       ALA  52  -4.347  -0.694 -13.464
  547   2HB   ALA  52          1HB       ALA  52  -5.080  -0.100 -11.985
  548   3HB   ALA  52          2HB       ALA  52  -3.822  -1.325 -11.911
  549    QB   ALA  52           QB       ALA  52  -4.416  -0.707 -12.453
  550    H    GLY  53           HN       GLY  53  -5.855  -1.316 -14.909
  551   1HA   GLY  53          1HA       GLY  53  -7.993  -1.172 -16.219
  552   2HA   GLY  53          2HA       GLY  53  -8.753  -0.528 -14.763
  553    QA   GLY  53           QA       GLY  53  -8.373  -0.850 -15.491
  554    H    LYS  54           HN       LYS  54  -6.055   0.826 -14.288
  555    HA   LYS  54           HA       LYS  54  -6.501   3.202 -16.018
  556   1HB   LYS  54          2HB       LYS  54  -6.733   3.038 -13.345
  557   2HB   LYS  54          3HB       LYS  54  -5.001   3.263 -13.417
  558   1HG   LYS  54          2HG       LYS  54  -6.965   5.102 -14.815
  559   2HG   LYS  54          3HG       LYS  54  -6.403   5.350 -13.174
  560   1HD   LYS  54          2HD       LYS  54  -4.549   5.129 -15.562
  561   2HD   LYS  54          3HD       LYS  54  -5.114   6.659 -14.921
  562   1HE   LYS  54          2HE       LYS  54  -3.402   6.629 -13.440
  563   2HE   LYS  54          3HE       LYS  54  -4.133   5.225 -12.680
  564   1HZ   LYS  54          2HZ       LYS  54  -2.842   4.291 -14.949
  565   2HZ   LYS  54          3HZ       LYS  54  -1.748   5.354 -14.207
  566   3HZ   LYS  54          1HZ       LYS  54  -2.405   4.032 -13.340
  567    QB   LYS  54           QB       LYS  54  -5.867   3.150 -13.381
  568    QG   LYS  54           QG       LYS  54  -6.684   5.226 -13.995
  569    QD   LYS  54           QD       LYS  54  -4.832   5.894 -15.242
  570    QE   LYS  54           QE       LYS  54  -3.768   5.927 -13.060
  571    QZ   LYS  54           QZ       LYS  54  -2.332   4.559 -14.166
  572    HA   PRO  55           HA       PRO  55  -2.342   1.603 -17.425
  573   1HB   PRO  55          2HB       PRO  55  -3.301   3.327 -19.674
  574   2HB   PRO  55          3HB       PRO  55  -2.509   1.748 -19.736
  575   1HG   PRO  55          2HG       PRO  55  -5.199   2.066 -20.163
  576   2HG   PRO  55          3HG       PRO  55  -4.522   0.589 -19.466
  577   1HD   PRO  55          2HD       PRO  55  -6.075   2.756 -18.126
  578   2HD   PRO  55          3HD       PRO  55  -5.864   1.060 -17.651
  579    QB   PRO  55           QB       PRO  55  -2.905   2.538 -19.705
  580    QG   PRO  55           QG       PRO  55  -4.861   1.328 -19.815
  581    QD   PRO  55           QD       PRO  55  -5.970   1.908 -17.888
  582    H    VAL  56           HN       VAL  56  -0.637   3.196 -18.410
  583    HA   VAL  56           HA       VAL  56   0.604   5.181 -18.210
  584    HB   VAL  56           HB       VAL  56  -1.923   6.480 -17.246
  585   1HG1  VAL  56          2HG1      VAL  56   0.134   7.765 -16.796
  586   2HG1  VAL  56          3HG1      VAL  56   0.589   7.624 -18.493
  587   3HG1  VAL  56          1HG1      VAL  56  -0.838   8.548 -18.038
  588   1HG2  VAL  56          2HG2      VAL  56  -0.800   6.224 -20.057
  589   2HG2  VAL  56          3HG2      VAL  56  -2.267   5.448 -19.468
  590   3HG2  VAL  56          1HG2      VAL  56  -2.201   7.197 -19.612
  591    QG1  VAL  56           QG1      VAL  56  -0.038   7.979 -17.776
  592    QG2  VAL  56           QG2      VAL  56  -1.756   6.290 -19.712
  593    QQG  VAL  56           QQG      VAL  56  -0.897   7.135 -18.744
  594    H    GLU  57           HN       GLU  57   1.412   3.694 -16.570
  595    HA   GLU  57           HA       GLU  57   1.955   5.112 -14.121
  596   1HB   GLU  57          2HB       GLU  57   1.052   3.101 -12.712
  597   2HB   GLU  57          3HB       GLU  57  -0.092   4.317 -13.251
  598   1HG   GLU  57          2HG       GLU  57  -0.762   2.899 -15.143
  599   2HG   GLU  57          3HG       GLU  57   0.499   1.735 -14.747
  600    QB   GLU  57           QB       GLU  57   0.480   3.709 -12.982
  601    QG   GLU  57           QG       GLU  57  -0.131   2.317 -14.945
  602    H    THR  58           HN       THR  58   3.326   3.764 -12.692
  603    HA   THR  58           HA       THR  58   4.717   1.542 -14.053
  604    HB   THR  58           HB       THR  58   6.058   4.111 -13.042
  605    HG1  THR  58          1HG       THR  58   5.961   4.560 -15.122
  606   1HG2  THR  58          2HG2      THR  58   7.274   1.665 -14.423
  607   2HG2  THR  58          3HG2      THR  58   8.131   3.145 -14.009
  608   3HG2  THR  58          1HG2      THR  58   7.561   2.081 -12.732
  609    QG2  THR  58           QG2      THR  58   7.655   2.297 -13.721
  610    H    VAL  59           HN       VAL  59   6.458   0.757 -12.264
  611    HA   VAL  59           HA       VAL  59   4.859   0.205  -9.880
  612    HB   VAL  59           HB       VAL  59   6.920  -1.219  -9.277
  613   1HG1  VAL  59          1HG1      VAL  59   5.471  -1.662 -11.912
  614   2HG1  VAL  59          2HG1      VAL  59   6.380  -2.899 -11.050
  615   3HG1  VAL  59          3HG1      VAL  59   4.941  -2.199 -10.320
  616   1HG2  VAL  59          2HG2      VAL  59   8.542   0.079 -10.651
  617   2HG2  VAL  59          3HG2      VAL  59   8.521  -1.627 -11.089
  618   3HG2  VAL  59          1HG2      VAL  59   7.711  -0.452 -12.110
  619    QG1  VAL  59           QG1      VAL  59   5.597  -2.253 -11.094
  620    QG2  VAL  59           QG2      VAL  59   8.258  -0.667 -11.283
  621    QQG  VAL  59           QQG      VAL  59   6.928  -1.460 -11.189
  622    HA   PRO  60           HA       PRO  60   5.679  -0.764  -7.748
  623   1HB   PRO  60          2HB       PRO  60   4.810   0.083  -5.299
  624   2HB   PRO  60          3HB       PRO  60   6.506  -0.327  -5.606
  625   1HG   PRO  60          2HG       PRO  60   5.211   2.400  -5.489
  626   2HG   PRO  60          3HG       PRO  60   6.771   1.891  -4.837
  627   1HD   PRO  60          2HD       PRO  60   6.481   3.244  -7.245
  628   2HD   PRO  60          3HD       PRO  60   7.849   2.162  -6.900
  629    QB   PRO  60           QB       PRO  60   5.658  -0.122  -5.453
  630    QG   PRO  60           QG       PRO  60   5.991   2.145  -5.163
  631    QD   PRO  60           QD       PRO  60   7.165   2.703  -7.072
  632    H    GLN  61           HN       GLN  61   3.439  -1.371  -7.041
  633    HA   GLN  61           HA       GLN  61   1.404   0.671  -7.905
  634   1HB   GLN  61          2HB       GLN  61   1.759  -2.213  -8.636
  635   2HB   GLN  61          3HB       GLN  61   0.116  -1.614  -8.482
  636   1HG   GLN  61          2HG       GLN  61   2.101  -0.015 -10.088
  637   2HG   GLN  61          3HG       GLN  61   1.375  -1.447 -10.797
  638   1HE2  GLN  61          2HE2      GLN  61  -0.775   1.817 -10.990
  639   2HE2  GLN  61          1HE2      GLN  61   0.924   1.762 -10.855
  640    QB   GLN  61           QB       GLN  61   0.938  -1.914  -8.559
  641    QG   GLN  61           QG       GLN  61   1.738  -0.731 -10.442
  642    QE2  GLN  61           QE2      GLN  61   0.074   1.789 -10.923
  643    H    ILE  62           HN       ILE  62  -0.492   0.800  -6.684
  644    HA   ILE  62           HA       ILE  62  -0.471  -0.797  -4.140
  645    HB   ILE  62           HB       ILE  62  -1.835   1.877  -4.543
  646   1HG1  ILE  62          2HG1      ILE  62   0.560   2.135  -5.129
  647   2HG1  ILE  62          3HG1      ILE  62   0.121   3.009  -3.673
  648   1HG2  ILE  62          3HG2      ILE  62  -0.815   0.362  -2.121
  649   2HG2  ILE  62          1HG2      ILE  62  -1.521   1.965  -2.075
  650   3HG2  ILE  62          2HG2      ILE  62  -2.497   0.595  -2.575
  651   1HD1  ILE  62          2HD1      ILE  62   1.458   0.282  -3.719
  652   2HD1  ILE  62          3HD1      ILE  62   2.275   1.813  -3.426
  653   3HD1  ILE  62          1HD1      ILE  62   1.077   1.228  -2.286
  654    QG1  ILE  62           QG1      ILE  62   0.341   2.572  -4.401
  655    QG2  ILE  62           QG2      ILE  62  -1.611   0.974  -2.257
  656    QD1  ILE  62           QD1      ILE  62   1.603   1.108  -3.144
  657    H    PHE  63           HN       PHE  63  -2.133  -2.073  -3.813
  658    HA   PHE  63           HA       PHE  63  -4.755  -1.490  -5.137
  659   1HB   PHE  63          2HB       PHE  63  -3.268  -4.112  -4.839
  660   2HB   PHE  63          3HB       PHE  63  -5.018  -4.093  -4.947
  661    HD1  PHE  63          2HD       PHE  63  -2.002  -2.758  -6.787
  662    HD2  PHE  63          1HD       PHE  63  -6.027  -4.128  -7.052
  663    HE1  PHE  63          2HE       PHE  63  -1.888  -2.601  -9.231
  664    HE2  PHE  63          1HE       PHE  63  -5.920  -3.960  -9.501
  665    HZ   PHE  63           HZ       PHE  63  -3.847  -3.206 -10.601
  666    QB   PHE  63           QB       PHE  63  -4.143  -4.102  -4.893
  667    QR   PHE  63           QR       PHE  63  -3.959  -3.362  -8.143
  668    H    VAL  64           HN       VAL  64  -6.406  -1.415  -3.653
  669    HA   VAL  64           HA       VAL  64  -5.733  -2.402  -0.895
  670    HB   VAL  64           HB       VAL  64  -7.307   0.061  -1.716
  671   1HG1  VAL  64          2HG1      VAL  64  -7.074  -1.240   1.018
  672   2HG1  VAL  64          3HG1      VAL  64  -7.822   0.308   0.682
  673   3HG1  VAL  64          1HG1      VAL  64  -8.543  -1.150   0.049
  674   1HG2  VAL  64          2HG2      VAL  64  -4.807   0.264  -1.469
  675   2HG2  VAL  64          3HG2      VAL  64  -5.677   1.211  -0.263
  676   3HG2  VAL  64          1HG2      VAL  64  -4.953  -0.333   0.179
  677    QG1  VAL  64           QG1      VAL  64  -7.813  -0.694   0.583
  678    QG2  VAL  64           QG2      VAL  64  -5.146   0.381  -0.518
  679    QQG  VAL  64           QQG      VAL  64  -6.479  -0.157   0.033
  680    H    ASP  65           HN       ASP  65  -7.273  -3.493   0.166
  681    HA   ASP  65           HA       ASP  65  -9.039  -4.988   0.426
  682   1HB   ASP  65          2HB       ASP  65 -10.272  -2.729   0.364
  683   2HB   ASP  65          3HB       ASP  65 -10.660  -3.082  -1.310
  684    QB   ASP  65           QB       ASP  65 -10.466  -2.905  -0.473
  685    H    GLN  66           HN       GLN  66 -10.098  -3.889  -2.706
  686    HA   GLN  66           HA       GLN  66  -9.016  -6.277  -4.036
  687   1HB   GLN  66          2HB       GLN  66 -11.225  -6.989  -4.890
  688   2HB   GLN  66          3HB       GLN  66 -11.202  -7.045  -3.132
  689   1HG   GLN  66          2HG       GLN  66 -12.263  -4.749  -3.114
  690   2HG   GLN  66          3HG       GLN  66 -12.411  -4.857  -4.864
  691   1HE2  GLN  66          2HE2      GLN  66 -15.143  -6.651  -2.560
  692   2HE2  GLN  66          1HE2      GLN  66 -13.922  -5.647  -1.925
  693    QB   GLN  66           QB       GLN  66 -11.213  -7.017  -4.011
  694    QG   GLN  66           QG       GLN  66 -12.337  -4.803  -3.989
  695    QE2  GLN  66           QE2      GLN  66 -14.532  -6.149  -2.243
  696    H    GLN  67           HN       GLN  67  -9.253  -3.106  -4.092
  697    HA   GLN  67           HA       GLN  67  -9.730  -2.921  -7.014
  698   1HB   GLN  67          2HB       GLN  67 -10.204  -1.014  -4.717
  699   2HB   GLN  67          3HB       GLN  67 -10.050  -0.420  -6.351
  700   1HG   GLN  67          2HG       GLN  67 -12.099  -2.383  -5.313
  701   2HG   GLN  67          3HG       GLN  67 -12.410  -0.749  -5.879
  702   1HE2  GLN  67          2HE2      GLN  67 -12.170  -3.747  -8.568
  703   2HE2  GLN  67          1HE2      GLN  67 -12.087  -4.037  -6.901
  704    QB   GLN  67           QB       GLN  67 -10.127  -0.717  -5.534
  705    QG   GLN  67           QG       GLN  67 -12.255  -1.566  -5.596
  706    QE2  GLN  67           QE2      GLN  67 -12.128  -3.892  -7.734
  707    H    HIS  68           HN       HIS  68  -8.595  -1.071  -7.970
  708    HA   HIS  68           HA       HIS  68  -5.720  -1.111  -7.178
  709   1HB   HIS  68          2HB       HIS  68  -6.050  -1.570  -9.502
  710   2HB   HIS  68          3HB       HIS  68  -7.253  -0.327  -9.669
  711    HD1  HIS  68           HD1      HIS  68  -6.465   1.825 -10.445
  712    HD2  HIS  68           HD2      HIS  68  -3.275  -0.419  -9.149
  713    HE1  HIS  68           HE1      HIS  68  -4.385   3.132 -11.012
  714    QB   HIS  68           QB       HIS  68  -6.651  -0.948  -9.585
  715    H    ILE  69           HN       ILE  69  -4.819   0.812  -6.347
  716    HA   ILE  69           HA       ILE  69  -6.802   3.046  -6.098
  717    HB   ILE  69           HB       ILE  69  -4.432   2.719  -4.258
  718   1HG1  ILE  69          2HG1      ILE  69  -5.565   0.515  -4.244
  719   2HG1  ILE  69          3HG1      ILE  69  -5.850   1.370  -2.749
  720   1HG2  ILE  69          3HG2      ILE  69  -7.240   3.838  -3.912
  721   2HG2  ILE  69          1HG2      ILE  69  -5.981   3.838  -2.680
  722   3HG2  ILE  69          2HG2      ILE  69  -5.779   4.788  -4.149
  723   1HD1  ILE  69          1HD1      ILE  69  -7.840   1.282  -5.049
  724   2HD1  ILE  69          2HD1      ILE  69  -7.930   0.282  -3.616
  725   3HD1  ILE  69          3HD1      ILE  69  -8.103   2.026  -3.478
  726    QG1  ILE  69           QG1      ILE  69  -5.707   0.942  -3.497
  727    QG2  ILE  69           QG2      ILE  69  -6.333   4.155  -3.580
  728    QD1  ILE  69           QD1      ILE  69  -7.958   1.197  -4.048
  729    H    GLY  70           HN       GLY  70  -3.431   2.243  -6.756
  730   1HA   GLY  70          1HA       GLY  70  -2.894   3.890  -8.830
  731   2HA   GLY  70          2HA       GLY  70  -2.884   5.049  -7.512
  732    QA   GLY  70           QA       GLY  70  -2.889   4.469  -8.171
  733    H    GLY  71           HN       GLY  71  -0.737   5.546  -7.541
  734   1HA   GLY  71          1HA       GLY  71   1.241   3.326  -7.308
  735   2HA   GLY  71          2HA       GLY  71   1.623   4.948  -7.851
  736    QA   GLY  71           QA       GLY  71   1.432   4.137  -7.580
  737    OH   TYR  72           OH       TYR  72   5.239   7.112   1.395
  738    H    TYR  72           HN       TYR  72   0.884   6.668  -5.907
  739    HA   TYR  72           HA       TYR  72   1.577   5.467  -3.305
  740   1HB   TYR  72          2HB       TYR  72   3.792   5.933  -4.426
  741   2HB   TYR  72          3HB       TYR  72   3.383   7.640  -4.441
  742    HD1  TYR  72           HD2      TYR  72   2.825   5.043  -1.804
  743    HD2  TYR  72           HD1      TYR  72   4.804   8.661  -2.846
  744    HE1  TYR  72           HE2      TYR  72   3.670   5.247   0.472
  745    HE2  TYR  72           HE1      TYR  72   5.670   8.841  -0.552
  746    HH   TYR  72           HH       TYR  72   5.555   6.222   1.629
  747    QB   TYR  72           QB       TYR  72   3.588   6.787  -4.433
  748    QR   TYR  72           QR       TYR  72   4.242   6.948  -1.182
  749    H    THR  73           HN       THR  73   1.756   8.746  -4.654
  750    HA   THR  73           HA       THR  73   0.668  10.124  -2.465
  751    HB   THR  73           HB       THR  73  -0.084  11.794  -4.347
  752    HG1  THR  73          1HG       THR  73  -0.308  10.723  -6.174
  753   1HG2  THR  73          1HG2      THR  73   2.315  11.772  -3.434
  754   2HG2  THR  73          2HG2      THR  73   2.712  10.585  -4.673
  755   3HG2  THR  73          3HG2      THR  73   2.228  12.214  -5.135
  756    QG2  THR  73           QG2      THR  73   2.418  11.523  -4.414
  757    H    ASP  74           HN       ASP  74  -0.959   8.824  -5.272
  758    HA   ASP  74           HA       ASP  74  -3.653   9.291  -4.719
  759   1HB   ASP  74          2HB       ASP  74  -3.929   6.969  -5.914
  760   2HB   ASP  74          3HB       ASP  74  -3.115   8.263  -6.786
  761    QB   ASP  74           QB       ASP  74  -3.522   7.616  -6.350
  762    H    PHE  75           HN       PHE  75  -1.820   6.417  -3.744
  763    HA   PHE  75           HA       PHE  75  -3.856   5.223  -2.172
  764   1HB   PHE  75          2HB       PHE  75  -1.896   3.964  -2.829
  765   2HB   PHE  75          3HB       PHE  75  -0.827   5.104  -2.022
  766    HD1  PHE  75          2HD       PHE  75  -3.840   3.024  -1.100
  767    HD2  PHE  75          1HD       PHE  75   0.024   4.413  -0.027
  768    HE1  PHE  75          2HE       PHE  75  -3.922   1.681   0.964
  769    HE2  PHE  75          1HE       PHE  75  -0.072   3.113   2.044
  770    HZ   PHE  75           HZ       PHE  75  -2.020   1.719   2.508
  771    QB   PHE  75           QB       PHE  75  -1.362   4.534  -2.425
  772    QR   PHE  75           QR       PHE  75  -1.952   3.058   0.470
  773    H    ALA  76           HN       ALA  76  -1.150   7.314  -1.177
  774    HA   ALA  76           HA       ALA  76  -1.699   7.529   1.565
  775   1HB   ALA  76          2HB       ALA  76  -0.845   9.764  -0.322
  776   2HB   ALA  76          3HB       ALA  76  -0.660   9.793   1.428
  777   3HB   ALA  76          1HB       ALA  76   0.239   8.626   0.465
  778    QB   ALA  76           QB       ALA  76  -0.422   9.394   0.524
  779    H    ALA  77           HN       ALA  77  -2.970   9.552  -1.036
  780    HA   ALA  77           HA       ALA  77  -4.780  11.082   0.511
  781   1HB   ALA  77          1HB       ALA  77  -5.094  10.164  -2.376
  782   2HB   ALA  77          2HB       ALA  77  -6.014  11.460  -1.613
  783   3HB   ALA  77          3HB       ALA  77  -4.278  11.633  -1.846
  784    QB   ALA  77           QB       ALA  77  -5.129  11.086  -1.945
  785    CH2  TRP  78           CH2      TRP  78  -8.118   2.114   2.010
  786    H    TRP  78           HN       TRP  78  -5.611   8.256  -1.538
  787    HA   TRP  78           HA       TRP  78  -8.238   7.861  -0.700
  788   1HB   TRP  78          2HB       TRP  78  -7.299   6.381  -2.359
  789   2HB   TRP  78          3HB       TRP  78  -6.113   5.778  -1.242
  790    HD1  TRP  78           HD1      TRP  78  -9.871   5.358  -2.113
  791    HE1  TRP  78           HE1      TRP  78 -10.919   3.613  -0.634
  792    HE3  TRP  78           HE3      TRP  78  -5.864   4.250   0.636
  793    HZ2  TRP  78           HZ2      TRP  78 -10.131   1.823   1.351
  794    HZ3  TRP  78           HZ3      TRP  78  -6.084   2.574   2.452
  795    HH2  TRP  78           HH2      TRP  78  -8.186   1.368   2.787
  796    QB   TRP  78           QB       TRP  78  -6.706   6.079  -1.801
  797    H    VAL  79           HN       VAL  79  -5.366   6.498   0.863
  798    HA   VAL  79           HA       VAL  79  -6.485   5.194   3.045
  799    HB   VAL  79           HB       VAL  79  -3.953   6.880   2.887
  800   1HG1  VAL  79          2HG1      VAL  79  -4.829   5.000   5.102
  801   2HG1  VAL  79          3HG1      VAL  79  -3.256   5.772   4.987
  802   3HG1  VAL  79          1HG1      VAL  79  -4.691   6.745   5.258
  803   1HG2  VAL  79          1HG2      VAL  79  -4.015   4.820   1.504
  804   2HG2  VAL  79          2HG2      VAL  79  -2.852   4.670   2.812
  805   3HG2  VAL  79          3HG2      VAL  79  -4.417   3.880   2.930
  806    QG1  VAL  79           QG1      VAL  79  -4.259   5.839   5.116
  807    QG2  VAL  79           QG2      VAL  79  -3.761   4.457   2.415
  808    QQG  VAL  79           QQG      VAL  79  -4.010   5.148   3.765
  809    H    LYS  80           HN       LYS  80  -5.318   8.546   3.091
  810    HA   LYS  80           HA       LYS  80  -6.525   9.256   5.550
  811   1HB   LYS  80          2HB       LYS  80  -4.910  10.542   3.875
  812   2HB   LYS  80          3HB       LYS  80  -6.411  11.218   3.265
  813   1HG   LYS  80          2HG       LYS  80  -5.721  11.233   6.217
  814   2HG   LYS  80          3HG       LYS  80  -5.220  12.529   5.139
  815   1HD   LYS  80          2HD       LYS  80  -7.584  12.933   4.508
  816   2HD   LYS  80          3HD       LYS  80  -8.099  11.637   5.568
  817   1HE   LYS  80          2HE       LYS  80  -6.699  14.188   6.421
  818   2HE   LYS  80          3HE       LYS  80  -8.386  13.773   6.711
  819   1HZ   LYS  80          2HZ       LYS  80  -6.774  11.663   7.643
  820   2HZ   LYS  80          3HZ       LYS  80  -6.163  13.118   8.277
  821   3HZ   LYS  80          1HZ       LYS  80  -7.781  12.679   8.538
  822    QB   LYS  80           QB       LYS  80  -5.660  10.880   3.570
  823    QG   LYS  80           QG       LYS  80  -5.471  11.881   5.678
  824    QD   LYS  80           QD       LYS  80  -7.842  12.285   5.038
  825    QE   LYS  80           QE       LYS  80  -7.542  13.981   6.566
  826    QZ   LYS  80           QZ       LYS  80  -6.906  12.487   8.153
  827    H    GLU  81           HN       GLU  81  -7.864   9.513   2.264
  828    HA   GLU  81           HA       GLU  81 -10.420  10.550   3.198
  829   1HB   GLU  81          2HB       GLU  81  -9.672   9.407   0.475
  830   2HB   GLU  81          3HB       GLU  81 -11.062  10.418   0.824
  831   1HG   GLU  81          2HG       GLU  81  -9.620  12.319   1.358
  832   2HG   GLU  81          3HG       GLU  81  -8.177  11.323   1.219
  833    QB   GLU  81           QB       GLU  81 -10.367   9.913   0.650
  834    QG   GLU  81           QG       GLU  81  -8.899  11.821   1.289
  835    H    ASN  82           HN       ASN  82  -9.411   7.739   3.982
  836    HA   ASN  82           HA       ASN  82 -12.086   6.491   3.676
  837   1HB   ASN  82          2HB       ASN  82  -9.437   5.240   2.921
  838   2HB   ASN  82          3HB       ASN  82 -10.789   4.233   3.420
  839   1HD2  ASN  82          2HD2      ASN  82 -11.132   6.390  -0.045
  840   2HD2  ASN  82          1HD2      ASN  82 -10.083   6.918   1.176
  841    QB   ASN  82           QB       ASN  82 -10.113   4.736   3.171
  842    QD2  ASN  82           QD2      ASN  82 -10.607   6.654   0.565
  843    H    LEU  83           HN       LEU  83  -9.002   6.489   5.358
  844    HA   LEU  83           HA       LEU  83 -10.160   4.895   7.564
  845   1HB   LEU  83          2HB       LEU  83  -7.357   6.037   7.386
  846   2HB   LEU  83          3HB       LEU  83  -7.916   4.733   8.424
  847    HG   LEU  83           HG       LEU  83  -7.607   4.672   5.400
  848   1HD1  LEU  83          1HD1      LEU  83  -5.580   4.259   6.800
  849   2HD1  LEU  83          2HD1      LEU  83  -6.433   2.947   7.607
  850   3HD1  LEU  83          3HD1      LEU  83  -6.074   2.841   5.888
  851   1HD2  LEU  83          1HD2      LEU  83  -8.844   2.590   7.239
  852   2HD2  LEU  83          2HD2      LEU  83  -9.706   3.512   6.013
  853   3HD2  LEU  83          3HD2      LEU  83  -8.483   2.345   5.531
  854    QB   LEU  83           QB       LEU  83  -7.637   5.385   7.905
  855    QD1  LEU  83           QD1      LEU  83  -6.029   3.349   6.765
  856    QD2  LEU  83           QD2      LEU  83  -9.011   2.816   6.261
  857    QQD  LEU  83           QQD      LEU  83  -7.520   3.082   6.513
  858    H    ASP  84           HN       ASP  84  -9.671   8.186   6.786
  859    HA   ASP  84           HA       ASP  84 -10.047   8.900   9.677
  860   1HB   ASP  84          2HB       ASP  84  -8.707  10.477   7.458
  861   2HB   ASP  84          3HB       ASP  84  -9.035  11.110   9.066
  862    QB   ASP  84           QB       ASP  84  -8.871  10.793   8.262
  863    H    ALA  85           HN       ALA  85 -10.805   9.934   6.378
  864    HA   ALA  85           HA       ALA  85 -13.433  10.953   7.387
  865   1HB   ALA  85          3HB       ALA  85 -11.696  12.232   5.243
  866   2HB   ALA  85          1HB       ALA  85 -13.295  12.792   5.724
  867   3HB   ALA  85          2HB       ALA  85 -11.952  12.875   6.863
  868    QB   ALA  85           QB       ALA  85 -12.314  12.633   5.943
   
  Start of MODEL           7
 Raw file had 868 H/Q atoms
  Start of MODEL    7
    1    H    MET   1           HN       MET   1  -8.562  -4.663   7.974
    2    HA   MET   1           HA       MET   1  -9.837  -4.258   5.466
    3   1HB   MET   1          2HB       MET   1  -8.572  -1.843   6.804
    4   2HB   MET   1          3HB       MET   1  -8.801  -1.958   5.063
    5   1HG   MET   1          2HG       MET   1 -11.228  -2.256   5.409
    6   2HG   MET   1          3HG       MET   1 -10.997  -2.161   7.141
    7   1HE   MET   1          2HE       MET   1 -10.934  -0.428   3.770
    8   2HE   MET   1          3HE       MET   1 -10.597   1.260   4.136
    9   3HE   MET   1          1HE       MET   1  -9.327   0.054   4.327
   10    QB   MET   1           QB       MET   1  -8.686  -1.901   5.934
   11    QG   MET   1           QG       MET   1 -11.113  -2.209   6.275
   12    QE   MET   1           QE       MET   1 -10.286   0.295   4.078
   13    H    GLN   2           HN       GLN   2  -8.200  -4.556   3.791
   14    HA   GLN   2           HA       GLN   2  -5.483  -5.046   4.911
   15   1HB   GLN   2          2HB       GLN   2  -6.747  -7.046   3.999
   16   2HB   GLN   2          3HB       GLN   2  -6.697  -6.272   2.417
   17   1HG   GLN   2          2HG       GLN   2  -4.161  -6.154   2.658
   18   2HG   GLN   2          3HG       GLN   2  -4.333  -7.110   4.114
   19   1HE2  GLN   2          2HE2      GLN   2  -5.838  -9.486   1.330
   20   2HE2  GLN   2          1HE2      GLN   2  -6.718  -8.289   2.153
   21    QB   GLN   2           QB       GLN   2  -6.722  -6.659   3.208
   22    QG   GLN   2           QG       GLN   2  -4.247  -6.632   3.386
   23    QE2  GLN   2           QE2      GLN   2  -6.278  -8.888   1.741
   24    H    THR   3           HN       THR   3  -3.660  -4.541   3.593
   25    HA   THR   3           HA       THR   3  -4.140  -2.942   1.128
   26    HB   THR   3           HB       THR   3  -2.512  -1.987   3.537
   27    HG1  THR   3          1HG       THR   3  -5.088  -1.848   2.727
   28   1HG2  THR   3          1HG2      THR   3  -3.163  -0.613   0.879
   29   2HG2  THR   3          2HG2      THR   3  -2.238   0.080   2.207
   30   3HG2  THR   3          3HG2      THR   3  -1.570  -1.254   1.274
   31    QG2  THR   3           QG2      THR   3  -2.324  -0.595   1.453
   32    H    VAL   4           HN       VAL   4  -2.723  -3.507  -0.451
   33    HA   VAL   4           HA       VAL   4  -0.211  -4.999   0.300
   34    HB   VAL   4           HB       VAL   4  -1.965  -5.595  -2.102
   35   1HG1  VAL   4          2HG1      VAL   4   0.433  -7.021  -0.880
   36   2HG1  VAL   4          3HG1      VAL   4  -0.490  -7.593  -2.266
   37   3HG1  VAL   4          1HG1      VAL   4   0.446  -6.108  -2.390
   38   1HG2  VAL   4          2HG2      VAL   4  -1.665  -7.148   0.499
   39   2HG2  VAL   4          3HG2      VAL   4  -3.105  -6.278  -0.005
   40   3HG2  VAL   4          1HG2      VAL   4  -2.568  -7.683  -0.914
   41    QG1  VAL   4           QG1      VAL   4   0.130  -6.907  -1.845
   42    QG2  VAL   4           QG2      VAL   4  -2.446  -7.036  -0.140
   43    QQG  VAL   4           QQG      VAL   4  -1.158  -6.972  -0.993
   44    H    ILE   5           HN       ILE   5   1.560  -4.311  -0.654
   45    HA   ILE   5           HA       ILE   5   1.297  -2.183  -2.762
   46    HB   ILE   5           HB       ILE   5   3.659  -2.690  -0.920
   47   1HG1  ILE   5          2HG1      ILE   5   1.640  -2.076   0.413
   48   2HG1  ILE   5          3HG1      ILE   5   2.877  -0.834   0.471
   49   1HG2  ILE   5          3HG2      ILE   5   2.876  -0.368  -2.720
   50   2HG2  ILE   5          1HG2      ILE   5   4.248  -0.342  -1.615
   51   3HG2  ILE   5          2HG2      ILE   5   4.223  -1.473  -2.962
   52   1HD1  ILE   5          2HD1      ILE   5   0.473  -0.782  -1.381
   53   2HD1  ILE   5          3HD1      ILE   5   0.626   0.142   0.107
   54   3HD1  ILE   5          1HD1      ILE   5   1.697   0.475  -1.245
   55    QG1  ILE   5           QG1      ILE   5   2.258  -1.455   0.442
   56    QG2  ILE   5           QG2      ILE   5   3.782  -0.728  -2.432
   57    QD1  ILE   5           QD1      ILE   5   0.932  -0.055  -0.839
   58    H    PHE   6           HN       PHE   6   2.158  -2.623  -4.714
   59    HA   PHE   6           HA       PHE   6   3.759  -5.133  -5.010
   60   1HB   PHE   6          2HB       PHE   6   2.067  -3.572  -7.005
   61   2HB   PHE   6          3HB       PHE   6   3.038  -4.974  -7.431
   62    HD1  PHE   6          2HD       PHE   6   0.405  -3.968  -4.946
   63    HD2  PHE   6          1HD       PHE   6   2.006  -7.079  -7.377
   64    HE1  PHE   6          2HE       PHE   6  -1.423  -5.450  -4.256
   65    HE2  PHE   6          1HE       PHE   6   0.201  -8.564  -6.655
   66    HZ   PHE   6           HZ       PHE   6  -1.531  -7.751  -5.117
   67    QB   PHE   6           QB       PHE   6   2.552  -4.273  -7.218
   68    QR   PHE   6           QR       PHE   6   0.297  -6.265  -5.809
   69    H    GLY   7           HN       GLY   7   5.866  -4.414  -4.756
   70   1HA   GLY   7          1HA       GLY   7   6.802  -2.453  -6.831
   71   2HA   GLY   7          2HA       GLY   7   7.306  -2.222  -5.156
   72    QA   GLY   7           QA       GLY   7   7.054  -2.338  -5.994
   73    NH1  ARG   8           NH1      ARG   8  15.818  -3.396  -8.511
   74    NH2  ARG   8           NH2      ARG   8  16.544  -2.514  -6.535
   75    H    ARG   8           HN       ARG   8   9.484  -2.709  -5.360
   76    HA   ARG   8           HA       ARG   8  10.156  -5.429  -6.425
   77   1HB   ARG   8          2HB       ARG   8  11.047  -3.321  -7.658
   78   2HB   ARG   8          3HB       ARG   8  12.041  -3.060  -6.244
   79   1HG   ARG   8          2HG       ARG   8  12.238  -5.814  -7.267
   80   2HG   ARG   8          3HG       ARG   8  12.751  -4.601  -8.427
   81   1HD   ARG   8          2HD       ARG   8  13.810  -4.831  -5.577
   82   2HD   ARG   8          3HD       ARG   8  14.663  -5.317  -7.031
   83    HE   ARG   8           HE       ARG   8  13.873  -2.455  -6.514
   84   1HH1  ARG   8          2HH1      ARG   8  15.068  -3.807  -9.035
   85   2HH1  ARG   8          1HH1      ARG   8  16.716  -3.288  -8.933
   86   1HH2  ARG   8          2HH2      ARG   8  16.327  -2.241  -5.591
   87   2HH2  ARG   8          1HH2      ARG   8  17.472  -2.396  -6.879
   88    QB   ARG   8           QB       ARG   8  11.544  -3.190  -6.951
   89    QG   ARG   8           QG       ARG   8  12.494  -5.207  -7.847
   90    QD   ARG   8           QD       ARG   8  14.236  -5.074  -6.304
   91    QH1  ARG   8           QH1      ARG   8  15.892  -3.548  -8.984
   92    QH2  ARG   8           QH2      ARG   8  16.899  -2.319  -6.235
   93    H    SER   9           HN       SER   9  12.360  -6.110  -5.448
   94    HA   SER   9           HA       SER   9  12.041  -6.214  -2.550
   95   1HB   SER   9          2HB       SER   9  14.390  -7.590  -3.205
   96   2HB   SER   9          3HB       SER   9  12.775  -8.308  -3.148
   97    HG   SER   9           HG       SER   9  12.526  -8.050  -5.289
   98    QB   SER   9           QB       SER   9  13.582  -7.949  -3.177
   99    H    GLY  10           HN       GLY  10  12.471  -3.700  -2.746
  100   1HA   GLY  10          1HA       GLY  10  14.077  -2.369  -1.389
  101   2HA   GLY  10          2HA       GLY  10  15.379  -3.324  -2.083
  102    QA   GLY  10           QA       GLY  10  14.728  -2.847  -1.736
  103    H    CYS  11           HN       CYS  11  12.730  -1.185  -3.079
  104    HA   CYS  11           HA       CYS  11  14.560  -0.003  -5.136
  105   1HB   CYS  11          2HB       CYS  11  12.047   0.734  -5.909
  106   2HB   CYS  11          3HB       CYS  11  12.915  -0.628  -6.559
  107    QB   CYS  11           QB       CYS  11  12.481   0.053  -6.234
  108    HA   PRO  12           HA       PRO  12  14.629   3.248  -2.104
  109   1HB   PRO  12          2HB       PRO  12  14.985   4.977  -4.529
  110   2HB   PRO  12          3HB       PRO  12  15.918   4.936  -3.030
  111   1HG   PRO  12          2HG       PRO  12  16.815   3.768  -5.342
  112   2HG   PRO  12          3HG       PRO  12  17.244   3.161  -3.738
  113   1HD   PRO  12          2HD       PRO  12  15.422   1.960  -5.751
  114   2HD   PRO  12          3HD       PRO  12  16.213   1.195  -4.357
  115    QB   PRO  12           QB       PRO  12  15.451   4.957  -3.779
  116    QG   PRO  12           QG       PRO  12  17.030   3.464  -4.540
  117    QD   PRO  12           QD       PRO  12  15.817   1.577  -5.054
  118    OH   TYR  13           OH       TYR  13   6.179   8.842  -5.806
  119    H    TYR  13           HN       TYR  13  12.847   4.012  -5.122
  120    HA   TYR  13           HA       TYR  13  11.103   5.867  -3.766
  121   1HB   TYR  13          2HB       TYR  13  11.494   5.787  -6.282
  122   2HB   TYR  13          3HB       TYR  13  10.421   4.391  -6.326
  123    HD1  TYR  13           HD2      TYR  13  10.391   7.738  -4.588
  124    HD2  TYR  13           HD1      TYR  13   8.208   4.952  -6.968
  125    HE1  TYR  13           HE2      TYR  13   8.467   9.239  -4.582
  126    HE2  TYR  13           HE1      TYR  13   6.295   6.486  -6.987
  127    HH   TYR  13           HH       TYR  13   6.465   9.678  -5.415
  128    QB   TYR  13           QB       TYR  13  10.958   5.089  -6.304
  129    QR   TYR  13           QR       TYR  13   8.340   7.104  -5.781
  130    H    CYS  14           HN       CYS  14  10.614   2.433  -4.705
  131    HA   CYS  14           HA       CYS  14   7.895   2.342  -3.808
  132   1HB   CYS  14          2HB       CYS  14   8.077  -0.034  -3.779
  133   2HB   CYS  14          3HB       CYS  14   9.018   0.534  -5.136
  134    QB   CYS  14           QB       CYS  14   8.548   0.250  -4.458
  135    H    VAL  15           HN       VAL  15  10.925   1.741  -2.170
  136    HA   VAL  15           HA       VAL  15  10.128   0.767   0.289
  137    HB   VAL  15           HB       VAL  15  12.263   2.842  -0.304
  138   1HG1  VAL  15          3HG1      VAL  15  11.843   1.154   2.202
  139   2HG1  VAL  15          1HG1      VAL  15  13.245   2.169   1.879
  140   3HG1  VAL  15          2HG1      VAL  15  11.666   2.901   2.116
  141   1HG2  VAL  15          3HG2      VAL  15  12.464   0.585  -1.393
  142   2HG2  VAL  15          1HG2      VAL  15  13.735   0.859  -0.206
  143   3HG2  VAL  15          2HG2      VAL  15  12.359  -0.162   0.197
  144    QG1  VAL  15           QG1      VAL  15  12.251   2.075   2.066
  145    QG2  VAL  15           QG2      VAL  15  12.853   0.427  -0.467
  146    QQG  VAL  15           QQG      VAL  15  12.552   1.251   0.799
  147    NH1  ARG  16           NH2      ARG  16  10.702   5.688   2.700
  148    NH2  ARG  16           NH1      ARG  16   9.510   6.718   4.315
  149    H    ARG  16           HN       ARG  16   9.482   3.974  -0.954
  150    HA   ARG  16           HA       ARG  16   8.785   5.065   1.619
  151   1HB   ARG  16          2HB       ARG  16   9.520   6.469  -0.260
  152   2HB   ARG  16          3HB       ARG  16   8.145   5.936  -1.217
  153   1HG   ARG  16          2HG       ARG  16   7.881   8.173  -0.113
  154   2HG   ARG  16          3HG       ARG  16   6.603   7.026   0.226
  155   1HD   ARG  16          2HD       ARG  16   7.463   8.334   2.254
  156   2HD   ARG  16          3HD       ARG  16   7.441   6.586   2.439
  157    HE   ARG  16           HE       ARG  16   9.962   8.061   1.726
  158   1HH1  ARG  16          2HH2      ARG  16  11.019   5.636   1.751
  159   2HH1  ARG  16          1HH2      ARG  16  11.021   5.012   3.380
  160   1HH2  ARG  16          2HH1      ARG  16   8.933   7.480   4.606
  161   2HH2  ARG  16          1HH1      ARG  16   9.813   6.028   4.988
  162    QB   ARG  16           QB       ARG  16   8.833   6.202  -0.739
  163    QG   ARG  16           QG       ARG  16   7.242   7.599   0.057
  164    QD   ARG  16           QD       ARG  16   7.452   7.460   2.347
  165    QH1  ARG  16           QH2      ARG  16  11.020   5.324   2.566
  166    QH2  ARG  16           QH1      ARG  16   9.373   6.754   4.797
  167    H    ALA  17           HN       ALA  17   6.899   3.840  -1.152
  168    HA   ALA  17           HA       ALA  17   4.286   4.099   0.000
  169   1HB   ALA  17          3HB       ALA  17   4.722   3.354  -2.360
  170   2HB   ALA  17          1HB       ALA  17   5.349   1.830  -1.745
  171   3HB   ALA  17          2HB       ALA  17   3.652   2.243  -1.514
  172    QB   ALA  17           QB       ALA  17   4.574   2.476  -1.873
  173    H    LYS  18           HN       LYS  18   6.811   1.676   0.259
  174    HA   LYS  18           HA       LYS  18   5.471  -0.243   1.859
  175   1HB   LYS  18          2HB       LYS  18   7.626  -0.759   0.883
  176   2HB   LYS  18          3HB       LYS  18   8.387   0.584   1.705
  177   1HG   LYS  18          2HG       LYS  18   7.054  -1.513   3.383
  178   2HG   LYS  18          3HG       LYS  18   8.604  -1.897   2.644
  179   1HD   LYS  18          2HD       LYS  18   9.504   0.264   3.648
  180   2HD   LYS  18          3HD       LYS  18   7.985   0.404   4.519
  181   1HE   LYS  18          2HE       LYS  18   8.404  -1.966   5.383
  182   2HE   LYS  18          3HE       LYS  18  10.044  -1.786   4.787
  183   1HZ   LYS  18          1HZ       LYS  18   9.475   0.514   6.259
  184   2HZ   LYS  18          2HZ       LYS  18   8.901  -0.809   7.178
  185   3HZ   LYS  18          3HZ       LYS  18  10.528  -0.758   6.689
  186    QB   LYS  18           QB       LYS  18   8.006  -0.087   1.294
  187    QG   LYS  18           QG       LYS  18   7.829  -1.705   3.013
  188    QD   LYS  18           QD       LYS  18   8.745   0.334   4.084
  189    QE   LYS  18           QE       LYS  18   9.224  -1.876   5.085
  190    QZ   LYS  18           QZ       LYS  18   9.635  -0.351   6.709
  191    H    ASP  19           HN       ASP  19   7.700   2.354   2.957
  192    HA   ASP  19           HA       ASP  19   7.120   2.114   5.686
  193   1HB   ASP  19          2HB       ASP  19   7.924   4.497   4.006
  194   2HB   ASP  19          3HB       ASP  19   7.671   4.639   5.735
  195    QB   ASP  19           QB       ASP  19   7.797   4.568   4.871
  196    H    LEU  20           HN       LEU  20   5.514   4.313   3.370
  197    HA   LEU  20           HA       LEU  20   3.669   5.455   5.110
  198   1HB   LEU  20          2HB       LEU  20   3.783   6.106   2.758
  199   2HB   LEU  20          3HB       LEU  20   3.196   4.526   2.252
  200    HG   LEU  20           HG       LEU  20   1.026   4.941   3.340
  201   1HD1  LEU  20          1HD1      LEU  20   2.234   7.623   4.125
  202   2HD1  LEU  20          2HD1      LEU  20   0.546   7.175   4.332
  203   3HD1  LEU  20          3HD1      LEU  20   1.790   6.329   5.239
  204   1HD2  LEU  20          2HD2      LEU  20   1.355   5.750   1.018
  205   2HD2  LEU  20          3HD2      LEU  20   0.253   6.798   1.904
  206   3HD2  LEU  20          1HD2      LEU  20   1.921   7.296   1.638
  207    QB   LEU  20           QB       LEU  20   3.489   5.316   2.505
  208    QD1  LEU  20           QD1      LEU  20   1.523   7.043   4.565
  209    QD2  LEU  20           QD2      LEU  20   1.176   6.615   1.520
  210    QQD  LEU  20           QQD      LEU  20   1.350   6.829   3.043
  211    H    ALA  21           HN       ALA  21   3.038   2.480   3.212
  212    HA   ALA  21           HA       ALA  21   0.604   1.892   4.602
  213   1HB   ALA  21          3HB       ALA  21   1.140   0.852   2.429
  214   2HB   ALA  21          1HB       ALA  21   2.471  -0.031   3.170
  215   3HB   ALA  21          2HB       ALA  21   0.814  -0.382   3.640
  216    QB   ALA  21           QB       ALA  21   1.475   0.146   3.079
  217    H    GLU  22           HN       GLU  22   3.858   0.467   5.043
  218    HA   GLU  22           HA       GLU  22   3.184  -1.259   7.181
  219   1HB   GLU  22          2HB       GLU  22   5.406  -1.254   6.066
  220   2HB   GLU  22          3HB       GLU  22   5.759   0.299   6.804
  221   1HG   GLU  22          2HG       GLU  22   5.559  -0.663   9.056
  222   2HG   GLU  22          3HG       GLU  22   5.103  -2.220   8.378
  223    QB   GLU  22           QB       GLU  22   5.583  -0.477   6.435
  224    QG   GLU  22           QG       GLU  22   5.331  -1.441   8.717
  225    H    LYS  23           HN       LYS  23   4.522   1.973   7.360
  226    HA   LYS  23           HA       LYS  23   4.551   2.400  10.103
  227   1HB   LYS  23          2HB       LYS  23   5.370   4.059   8.422
  228   2HB   LYS  23          3HB       LYS  23   3.706   4.429   7.988
  229   1HG   LYS  23          2HG       LYS  23   3.251   5.146  10.323
  230   2HG   LYS  23          3HG       LYS  23   4.903   4.746  10.766
  231   1HD   LYS  23          2HD       LYS  23   5.765   6.450   9.222
  232   2HD   LYS  23          3HD       LYS  23   4.137   6.794   8.658
  233   1HE   LYS  23          2HE       LYS  23   4.814   8.488  10.296
  234   2HE   LYS  23          3HE       LYS  23   3.491   7.528  10.937
  235   1HZ   LYS  23          2HZ       LYS  23   5.812   6.230  11.720
  236   2HZ   LYS  23          3HZ       LYS  23   6.074   7.885  12.016
  237   3HZ   LYS  23          1HZ       LYS  23   4.733   7.078  12.680
  238    QB   LYS  23           QB       LYS  23   4.538   4.244   8.205
  239    QG   LYS  23           QG       LYS  23   4.077   4.946  10.545
  240    QD   LYS  23           QD       LYS  23   4.951   6.622   8.940
  241    QE   LYS  23           QE       LYS  23   4.152   8.008  10.617
  242    QZ   LYS  23           QZ       LYS  23   5.540   7.064  12.139
  243    H    LEU  24           HN       LEU  24   1.867   3.204   7.874
  244    HA   LEU  24           HA       LEU  24   0.004   3.830   9.937
  245   1HB   LEU  24          2HB       LEU  24  -0.432   2.598   7.176
  246   2HB   LEU  24          3HB       LEU  24  -1.742   3.189   8.192
  247    HG   LEU  24           HG       LEU  24   0.614   4.905   7.329
  248   1HD1  LEU  24          1HD1      LEU  24  -2.193   4.708   6.168
  249   2HD1  LEU  24          2HD1      LEU  24  -0.999   5.924   5.725
  250   3HD1  LEU  24          3HD1      LEU  24  -0.703   4.228   5.363
  251   1HD2  LEU  24          3HD2      LEU  24  -2.087   5.563   8.581
  252   2HD2  LEU  24          1HD2      LEU  24  -0.525   5.660   9.388
  253   3HD2  LEU  24          2HD2      LEU  24  -0.895   6.750   8.063
  254    QB   LEU  24           QB       LEU  24  -1.087   2.894   7.684
  255    QD1  LEU  24           QD1      LEU  24  -1.298   4.953   5.752
  256    QD2  LEU  24           QD2      LEU  24  -1.169   5.991   8.677
  257    QQD  LEU  24           QQD      LEU  24  -1.234   5.472   7.215
  258    H    SER  25           HN       SER  25   0.648   0.765   8.344
  259    HA   SER  25           HA       SER  25  -1.220  -0.860   9.601
  260   1HB   SER  25          2HB       SER  25   0.753  -1.385   7.852
  261   2HB   SER  25          3HB       SER  25   1.570  -1.951   9.319
  262    HG   SER  25           HG       SER  25  -1.132  -2.633   8.963
  263    QB   SER  25           QB       SER  25   1.161  -1.668   8.586
  264    H    ASN  26           HN       ASN  26   2.017  -0.098  10.808
  265    HA   ASN  26           HA       ASN  26   1.503  -1.444  13.367
  266   1HB   ASN  26          2HB       ASN  26   3.791  -1.360  12.439
  267   2HB   ASN  26          3HB       ASN  26   3.776   0.402  12.522
  268   1HD2  ASN  26          2HD2      ASN  26   4.619   0.433  15.955
  269   2HD2  ASN  26          1HD2      ASN  26   4.410   1.327  14.529
  270    QB   ASN  26           QB       ASN  26   3.784  -0.479  12.481
  271    QD2  ASN  26           QD2      ASN  26   4.514   0.880  15.242
  272    H    GLU  27           HN       GLU  27   1.318   1.833  12.196
  273    HA   GLU  27           HA       GLU  27   0.921   2.874  14.946
  274   1HB   GLU  27          2HB       GLU  27   1.359   4.224  12.268
  275   2HB   GLU  27          3HB       GLU  27   1.153   5.086  13.776
  276   1HG   GLU  27          2HG       GLU  27   3.130   3.706  14.683
  277   2HG   GLU  27          3HG       GLU  27   3.380   3.147  13.037
  278    QB   GLU  27           QB       GLU  27   1.256   4.655  13.022
  279    QG   GLU  27           QG       GLU  27   3.255   3.426  13.860
  280    NH1  ARG  28           NH2      ARG  28  -5.971   4.815  14.635
  281    NH2  ARG  28           NH1      ARG  28  -4.928   6.822  14.389
  282    H    ARG  28           HN       ARG  28  -1.176   1.314  13.961
  283    HA   ARG  28           HA       ARG  28  -3.310   3.313  14.137
  284   1HB   ARG  28          2HB       ARG  28  -2.719   2.837  11.630
  285   2HB   ARG  28          3HB       ARG  28  -3.497   1.290  11.888
  286   1HG   ARG  28          2HG       ARG  28  -5.252   2.647  11.047
  287   2HG   ARG  28          3HG       ARG  28  -5.526   2.718  12.775
  288   1HD   ARG  28          2HD       ARG  28  -4.029   4.822  11.173
  289   2HD   ARG  28          3HD       ARG  28  -5.686   4.970  11.733
  290    HE   ARG  28           HE       ARG  28  -3.250   4.978  13.476
  291   1HH1  ARG  28          2HH2      ARG  28  -6.022   3.829  14.411
  292   2HH1  ARG  28          1HH2      ARG  28  -6.635   5.190  15.275
  293   1HH2  ARG  28          2HH1      ARG  28  -4.212   7.362  13.951
  294   2HH2  ARG  28          1HH1      ARG  28  -5.546   7.254  15.043
  295    QB   ARG  28           QB       ARG  28  -3.108   2.063  11.759
  296    QG   ARG  28           QG       ARG  28  -5.389   2.683  11.911
  297    QD   ARG  28           QD       ARG  28  -4.857   4.896  11.453
  298    QH1  ARG  28           QH2      ARG  28  -6.328   4.510  14.843
  299    QH2  ARG  28           QH1      ARG  28  -4.879   7.308  14.497
  300    H    ASP  29           HN       ASP  29  -5.146   1.121  13.162
  301    HA   ASP  29           HA       ASP  29  -5.038  -0.667  15.538
  302   1HB   ASP  29          2HB       ASP  29  -7.775   0.105  14.807
  303   2HB   ASP  29          3HB       ASP  29  -6.997   0.151  16.382
  304    QB   ASP  29           QB       ASP  29  -7.386   0.128  15.595
  305    H    ASP  30           HN       ASP  30  -6.726   0.074  12.516
  306    HA   ASP  30           HA       ASP  30  -7.128  -2.828  12.009
  307   1HB   ASP  30          2HB       ASP  30  -9.077  -1.383  11.707
  308   2HB   ASP  30          3HB       ASP  30  -8.199  -0.363  10.594
  309    QB   ASP  30           QB       ASP  30  -8.638  -0.873  11.151
  310    H    PHE  31           HN       PHE  31  -6.579  -0.307   9.636
  311    HA   PHE  31           HA       PHE  31  -5.492  -0.984   7.490
  312   1HB   PHE  31          2HB       PHE  31  -4.860   1.158   8.750
  313   2HB   PHE  31          3HB       PHE  31  -3.436   0.296   9.314
  314    HD1  PHE  31          1HD       PHE  31  -1.777  -0.578   7.577
  315    HD2  PHE  31          2HD       PHE  31  -4.970   2.030   6.530
  316    HE1  PHE  31          1HE       PHE  31  -0.645  -0.040   5.484
  317    HE2  PHE  31          2HE       PHE  31  -3.825   2.577   4.428
  318    HZ   PHE  31           HZ       PHE  31  -1.664   1.521   3.900
  319    QB   PHE  31           QB       PHE  31  -4.148   0.727   9.032
  320    QR   PHE  31           QR       PHE  31  -2.804   0.997   6.005
  321    H    GLN  32           HN       GLN  32  -5.304  -3.430   7.653
  322    HA   GLN  32           HA       GLN  32  -2.639  -4.305   8.655
  323   1HB   GLN  32          2HB       GLN  32  -4.768  -6.011   7.332
  324   2HB   GLN  32          3HB       GLN  32  -3.341  -6.557   8.203
  325   1HG   GLN  32          2HG       GLN  32  -4.293  -5.391  10.267
  326   2HG   GLN  32          3HG       GLN  32  -5.775  -5.137   9.348
  327   1HE2  GLN  32          2HE2      GLN  32  -5.430  -8.588  11.191
  328   2HE2  GLN  32          1HE2      GLN  32  -4.715  -7.117  11.656
  329    QB   GLN  32           QB       GLN  32  -4.055  -6.284   7.768
  330    QG   GLN  32           QG       GLN  32  -5.034  -5.264   9.807
  331    QE2  GLN  32           QE2      GLN  32  -5.073  -7.853  11.424
  332    OH   TYR  33           OH       TYR  33   5.376  -3.628   5.794
  333    H    TYR  33           HN       TYR  33  -1.052  -4.006   7.281
  334    HA   TYR  33           HA       TYR  33  -1.655  -4.287   4.374
  335   1HB   TYR  33          2HB       TYR  33  -0.326  -2.502   3.934
  336   2HB   TYR  33          3HB       TYR  33  -0.595  -2.118   5.628
  337    HD1  TYR  33           HD1      TYR  33   1.087  -3.692   7.218
  338    HD2  TYR  33           HD2      TYR  33   1.886  -2.321   3.272
  339    HE1  TYR  33           HE1      TYR  33   3.478  -4.060   7.569
  340    HE2  TYR  33           HE2      TYR  33   4.276  -2.641   3.653
  341    HH   TYR  33           HH       TYR  33   5.698  -3.169   6.588
  342    QB   TYR  33           QB       TYR  33  -0.461  -2.310   4.781
  343    QR   TYR  33           QR       TYR  33   2.682  -3.178   5.428
  344    H    GLN  34           HN       GLN  34   0.004  -5.091   3.050
  345    HA   GLN  34           HA       GLN  34   2.072  -6.826   4.267
  346   1HB   GLN  34          2HB       GLN  34   0.041  -8.254   3.874
  347   2HB   GLN  34          3HB       GLN  34   0.041  -7.767   2.187
  348   1HG   GLN  34          2HG       GLN  34   1.100 -10.012   2.566
  349   2HG   GLN  34          3HG       GLN  34   2.207  -8.863   1.827
  350   1HE2  GLN  34          2HE2      GLN  34   3.067 -10.352   5.496
  351   2HE2  GLN  34          1HE2      GLN  34   1.660 -10.827   4.675
  352    QB   GLN  34           QB       GLN  34   0.041  -8.010   3.031
  353    QG   GLN  34           QG       GLN  34   1.653  -9.437   2.196
  354    QE2  GLN  34           QE2      GLN  34   2.363 -10.590   5.085
  355    OH   TYR  35           OH       TYR  35   8.349  -2.902  -2.816
  356    H    TYR  35           HN       TYR  35   3.755  -7.323   2.614
  357    HA   TYR  35           HA       TYR  35   3.719  -5.215   0.469
  358   1HB   TYR  35          2HB       TYR  35   5.546  -5.070   2.239
  359   2HB   TYR  35          3HB       TYR  35   6.171  -6.593   1.616
  360    HD1  TYR  35           HD2      TYR  35   5.508  -3.049   0.720
  361    HD2  TYR  35           HD1      TYR  35   7.364  -6.680  -0.489
  362    HE1  TYR  35           HE2      TYR  35   6.669  -1.859  -1.094
  363    HE2  TYR  35           HE1      TYR  35   8.522  -5.490  -2.294
  364    HH   TYR  35           HH       TYR  35   9.195  -3.355  -2.991
  365    QB   TYR  35           QB       TYR  35   5.858  -5.831   1.927
  366    QR   TYR  35           QR       TYR  35   7.016  -4.269  -0.789
  367    H    VAL  36           HN       VAL  36   4.358  -5.776  -1.601
  368    HA   VAL  36           HA       VAL  36   4.762  -8.677  -2.134
  369    HB   VAL  36           HB       VAL  36   2.591  -6.829  -3.025
  370   1HG1  VAL  36          1HG1      VAL  36   3.864  -8.880  -4.906
  371   2HG1  VAL  36          2HG1      VAL  36   2.320  -8.088  -5.169
  372   3HG1  VAL  36          3HG1      VAL  36   3.802  -7.143  -5.179
  373   1HG2  VAL  36          1HG2      VAL  36   2.212  -8.796  -1.572
  374   2HG2  VAL  36          2HG2      VAL  36   1.368  -8.979  -3.111
  375   3HG2  VAL  36          3HG2      VAL  36   2.867  -9.856  -2.816
  376    QG1  VAL  36           QG1      VAL  36   3.329  -8.037  -5.085
  377    QG2  VAL  36           QG2      VAL  36   2.149  -9.211  -2.500
  378    QQG  VAL  36           QQG      VAL  36   2.739  -8.624  -3.792
  379    H    ASP  37           HN       ASP  37   6.014  -9.147  -3.907
  380    HA   ASP  37           HA       ASP  37   7.634  -6.893  -5.030
  381   1HB   ASP  37          2HB       ASP  37   8.899  -8.189  -3.390
  382   2HB   ASP  37          3HB       ASP  37   8.464  -9.682  -4.180
  383    QB   ASP  37           QB       ASP  37   8.682  -8.935  -3.785
  384    H    ILE  38           HN       ILE  38   7.422  -6.700  -7.116
  385    HA   ILE  38           HA       ILE  38   5.924  -8.442  -8.748
  386    HB   ILE  38           HB       ILE  38   6.885  -7.158 -10.669
  387   1HG1  ILE  38          2HG1      ILE  38   8.277  -5.329  -8.767
  388   2HG1  ILE  38          3HG1      ILE  38   9.097  -6.829  -9.152
  389   1HG2  ILE  38          3HG2      ILE  38   5.950  -5.549  -8.259
  390   2HG2  ILE  38          1HG2      ILE  38   5.934  -4.970  -9.922
  391   3HG2  ILE  38          2HG2      ILE  38   4.912  -6.324  -9.453
  392   1HD1  ILE  38          2HD1      ILE  38   8.865  -6.327 -11.579
  393   2HD1  ILE  38          3HD1      ILE  38   8.050  -4.816 -11.181
  394   3HD1  ILE  38          1HD1      ILE  38   9.739  -5.046 -10.741
  395    QG1  ILE  38           QG1      ILE  38   8.687  -6.079  -8.960
  396    QG2  ILE  38           QG2      ILE  38   5.599  -5.614  -9.211
  397    QD1  ILE  38           QD1      ILE  38   8.885  -5.396 -11.167
  398    NH1  ARG  39           NH1      ARG  39  12.436 -11.520  -4.488
  399    NH2  ARG  39           NH2      ARG  39  14.374 -12.438  -5.274
  400    H    ARG  39           HN       ARG  39   9.380  -8.550  -7.970
  401    HA   ARG  39           HA       ARG  39   9.800 -10.410 -10.233
  402   1HB   ARG  39          2HB       ARG  39  12.123 -10.445  -9.639
  403   2HB   ARG  39          3HB       ARG  39  11.577  -8.777  -9.540
  404   1HG   ARG  39          2HG       ARG  39  12.166  -8.665  -7.367
  405   2HG   ARG  39          3HG       ARG  39  11.160 -10.055  -6.985
  406   1HD   ARG  39          2HD       ARG  39  12.983 -11.581  -7.704
  407   2HD   ARG  39          3HD       ARG  39  13.995 -10.179  -8.076
  408    HE   ARG  39           HE       ARG  39  13.947  -9.607  -5.641
  409   1HH1  ARG  39          2HH1      ARG  39  11.784 -10.750  -4.535
  410   2HH1  ARG  39          1HH1      ARG  39  12.258 -12.288  -3.879
  411   1HH2  ARG  39          2HH2      ARG  39  15.149 -12.365  -5.898
  412   2HH2  ARG  39          1HH2      ARG  39  14.285 -13.238  -4.686
  413    QB   ARG  39           QB       ARG  39  11.850  -9.611  -9.590
  414    QG   ARG  39           QG       ARG  39  11.663  -9.360  -7.176
  415    QD   ARG  39           QD       ARG  39  13.489 -10.880  -7.890
  416    QH1  ARG  39           QH1      ARG  39  12.021 -11.519  -4.207
  417    QH2  ARG  39           QH2      ARG  39  14.717 -12.802  -5.292
  418    H    ALA  40           HN       ALA  40   8.254 -10.847  -7.495
  419    HA   ALA  40           HA       ALA  40   9.332 -13.601  -7.018
  420   1HB   ALA  40          3HB       ALA  40   7.543 -11.882  -5.256
  421   2HB   ALA  40          1HB       ALA  40   8.113 -13.502  -4.859
  422   3HB   ALA  40          2HB       ALA  40   9.259 -12.167  -4.984
  423    QB   ALA  40           QB       ALA  40   8.305 -12.517  -5.033
  424    H    GLU  41           HN       GLU  41   6.423 -11.629  -7.404
  425    HA   GLU  41           HA       GLU  41   4.668 -13.919  -7.773
  426   1HB   GLU  41          2HB       GLU  41   4.253 -10.998  -8.564
  427   2HB   GLU  41          3HB       GLU  41   3.002 -12.229  -8.567
  428   1HG   GLU  41          2HG       GLU  41   3.472 -12.578  -6.082
  429   2HG   GLU  41          3HG       GLU  41   4.503 -11.159  -6.152
  430    QB   GLU  41           QB       GLU  41   3.627 -11.613  -8.565
  431    QG   GLU  41           QG       GLU  41   3.987 -11.868  -6.117
  432    H    GLY  42           HN       GLY  42   6.485 -11.768  -9.898
  433   1HA   GLY  42          1HA       GLY  42   7.418 -12.639 -12.010
  434   2HA   GLY  42          2HA       GLY  42   5.997 -13.675 -12.161
  435    QA   GLY  42           QA       GLY  42   6.708 -13.157 -12.086
  436    H    ILE  43           HN       ILE  43   6.340 -10.264 -11.399
  437    HA   ILE  43           HA       ILE  43   4.356  -9.642 -13.539
  438    HB   ILE  43           HB       ILE  43   5.116  -8.336 -10.913
  439   1HG1  ILE  43          2HG1      ILE  43   2.459  -9.435 -11.887
  440   2HG1  ILE  43          3HG1      ILE  43   3.608 -10.374 -10.946
  441   1HG2  ILE  43          2HG2      ILE  43   4.647  -6.566 -12.592
  442   2HG2  ILE  43          3HG2      ILE  43   3.109  -7.346 -12.964
  443   3HG2  ILE  43          1HG2      ILE  43   3.392  -6.658 -11.369
  444   1HD1  ILE  43          2HD1      ILE  43   2.351  -7.752 -10.059
  445   2HD1  ILE  43          3HD1      ILE  43   1.881  -9.348  -9.506
  446   3HD1  ILE  43          1HD1      ILE  43   3.478  -8.721  -9.114
  447    QG1  ILE  43           QG1      ILE  43   3.033  -9.904 -11.417
  448    QG2  ILE  43           QG2      ILE  43   3.716  -6.857 -12.308
  449    QD1  ILE  43           QD1      ILE  43   2.570  -8.607  -9.560
  450    H    THR  44           HN       THR  44   4.718  -7.994 -15.012
  451    HA   THR  44           HA       THR  44   7.462  -6.786 -14.969
  452    HB   THR  44           HB       THR  44   7.190  -6.693 -17.524
  453    HG1  THR  44          1HG       THR  44   5.324  -7.412 -18.281
  454   1HG2  THR  44          3HG2      THR  44   8.406  -8.627 -16.401
  455   2HG2  THR  44          1HG2      THR  44   6.863  -9.472 -16.291
  456   3HG2  THR  44          2HG2      THR  44   7.558  -9.111 -17.867
  457    QG2  THR  44           QG2      THR  44   7.609  -9.070 -16.853
  458    H    LYS  45           HN       LYS  45   4.952  -5.858 -17.209
  459    HA   LYS  45           HA       LYS  45   4.367  -3.421 -15.583
  460   1HB   LYS  45          2HB       LYS  45   6.041  -3.435 -17.871
  461   2HB   LYS  45          3HB       LYS  45   4.505  -2.804 -18.441
  462   1HG   LYS  45          2HG       LYS  45   5.807  -0.925 -17.659
  463   2HG   LYS  45          3HG       LYS  45   4.524  -1.199 -16.496
  464   1HD   LYS  45          2HD       LYS  45   6.144  -2.507 -15.075
  465   2HD   LYS  45          3HD       LYS  45   7.410  -2.134 -16.234
  466   1HE   LYS  45          2HE       LYS  45   7.508  -0.580 -14.336
  467   2HE   LYS  45          3HE       LYS  45   7.084   0.284 -15.810
  468   1HZ   LYS  45          2HZ       LYS  45   4.678  -0.544 -14.665
  469   2HZ   LYS  45          3HZ       LYS  45   5.609   0.125 -13.405
  470   3HZ   LYS  45          1HZ       LYS  45   5.279   1.020 -14.804
  471    QB   LYS  45           QB       LYS  45   5.273  -3.119 -18.156
  472    QG   LYS  45           QG       LYS  45   5.166  -1.062 -17.078
  473    QD   LYS  45           QD       LYS  45   6.777  -2.321 -15.655
  474    QE   LYS  45           QE       LYS  45   7.296  -0.148 -15.073
  475    QZ   LYS  45           QZ       LYS  45   5.189   0.200 -14.291
  476    H    GLU  46           HN       GLU  46   3.630  -4.861 -18.712
  477    HA   GLU  46           HA       GLU  46   1.090  -4.065 -19.253
  478   1HB   GLU  46          2HB       GLU  46   1.943  -6.983 -19.393
  479   2HB   GLU  46          3HB       GLU  46   0.709  -6.209 -20.376
  480   1HG   GLU  46          2HG       GLU  46   2.382  -5.887 -21.897
  481   2HG   GLU  46          3HG       GLU  46   2.912  -4.585 -20.839
  482    QB   GLU  46           QB       GLU  46   1.326  -6.596 -19.885
  483    QG   GLU  46           QG       GLU  46   2.647  -5.236 -21.368
  484    H    ASP  47           HN       ASP  47   1.784  -6.825 -17.091
  485    HA   ASP  47           HA       ASP  47  -0.925  -7.324 -16.388
  486   1HB   ASP  47          2HB       ASP  47   0.947  -8.888 -15.816
  487   2HB   ASP  47          3HB       ASP  47   1.482  -7.744 -14.587
  488    QB   ASP  47           QB       ASP  47   1.215  -8.316 -15.201
  489    H    LEU  48           HN       LEU  48   1.514  -5.507 -14.516
  490    HA   LEU  48           HA       LEU  48  -0.194  -4.585 -12.486
  491   1HB   LEU  48          2HB       LEU  48   2.150  -3.200 -13.812
  492   2HB   LEU  48          3HB       LEU  48   1.330  -2.536 -12.399
  493    HG   LEU  48           HG       LEU  48   2.316  -5.384 -12.461
  494   1HD1  LEU  48          1HD1      LEU  48   4.233  -3.881 -12.941
  495   2HD1  LEU  48          2HD1      LEU  48   3.837  -2.932 -11.509
  496   3HD1  LEU  48          3HD1      LEU  48   4.374  -4.601 -11.343
  497   1HD2  LEU  48          3HD2      LEU  48   0.683  -4.717 -10.677
  498   2HD2  LEU  48          1HD2      LEU  48   2.254  -5.139 -10.007
  499   3HD2  LEU  48          2HD2      LEU  48   1.793  -3.447 -10.169
  500    QB   LEU  48           QB       LEU  48   1.740  -2.868 -13.105
  501    QD1  LEU  48           QD1      LEU  48   4.148  -3.805 -11.931
  502    QD2  LEU  48           QD2      LEU  48   1.576  -4.435 -10.285
  503    QQD  LEU  48           QQD      LEU  48   2.862  -4.120 -11.108
  504    H    GLN  49           HN       GLN  49   0.391  -3.061 -15.649
  505    HA   GLN  49           HA       GLN  49  -1.378  -0.871 -15.254
  506   1HB   GLN  49          2HB       GLN  49   0.150  -1.051 -17.164
  507   2HB   GLN  49          3HB       GLN  49  -0.715  -2.454 -17.765
  508   1HG   GLN  49          2HG       GLN  49  -2.209   0.123 -17.338
  509   2HG   GLN  49          3HG       GLN  49  -1.209  -0.084 -18.768
  510   1HE2  GLN  49          2HE2      GLN  49  -4.820  -1.722 -18.834
  511   2HE2  GLN  49          1HE2      GLN  49  -4.348  -0.445 -17.815
  512    QB   GLN  49           QB       GLN  49  -0.282  -1.752 -17.464
  513    QG   GLN  49           QG       GLN  49  -1.709   0.019 -18.053
  514    QE2  GLN  49           QE2      GLN  49  -4.584  -1.083 -18.324
  515    H    GLN  50           HN       GLN  50  -1.990  -4.031 -16.744
  516    HA   GLN  50           HA       GLN  50  -4.753  -3.855 -17.167
  517   1HB   GLN  50          2HB       GLN  50  -3.658  -5.720 -18.085
  518   2HB   GLN  50          3HB       GLN  50  -2.826  -6.105 -16.592
  519   1HG   GLN  50          2HG       GLN  50  -4.954  -6.890 -15.594
  520   2HG   GLN  50          3HG       GLN  50  -5.801  -6.458 -17.076
  521   1HE2  GLN  50          2HE2      GLN  50  -3.356  -9.745 -17.048
  522   2HE2  GLN  50          1HE2      GLN  50  -3.143  -8.566 -15.845
  523    QB   GLN  50           QB       GLN  50  -3.242  -5.913 -17.338
  524    QG   GLN  50           QG       GLN  50  -5.377  -6.674 -16.335
  525    QE2  GLN  50           QE2      GLN  50  -3.250  -9.155 -16.447
  526    H    LYS  51           HN       LYS  51  -3.267  -5.469 -14.398
  527    HA   LYS  51           HA       LYS  51  -5.619  -5.850 -12.881
  528   1HB   LYS  51          2HB       LYS  51  -2.747  -5.534 -11.945
  529   2HB   LYS  51          3HB       LYS  51  -4.064  -6.194 -10.988
  530   1HG   LYS  51          2HG       LYS  51  -4.385  -7.873 -12.957
  531   2HG   LYS  51          3HG       LYS  51  -2.809  -7.331 -13.492
  532   1HD   LYS  51          2HD       LYS  51  -2.584  -9.355 -12.108
  533   2HD   LYS  51          3HD       LYS  51  -1.794  -7.979 -11.363
  534   1HE   LYS  51          2HE       LYS  51  -3.192  -9.419  -9.798
  535   2HE   LYS  51          3HE       LYS  51  -3.537  -7.697  -9.755
  536   1HZ   LYS  51          2HZ       LYS  51  -5.120  -8.910 -11.741
  537   2HZ   LYS  51          3HZ       LYS  51  -5.296  -9.782 -10.298
  538   3HZ   LYS  51          1HZ       LYS  51  -5.624  -8.114 -10.324
  539    QB   LYS  51           QB       LYS  51  -3.406  -5.864 -11.467
  540    QG   LYS  51           QG       LYS  51  -3.597  -7.602 -13.224
  541    QD   LYS  51           QD       LYS  51  -2.189  -8.667 -11.735
  542    QE   LYS  51           QE       LYS  51  -3.364  -8.558  -9.776
  543    QZ   LYS  51           QZ       LYS  51  -5.347  -8.935 -10.788
  544    H    ALA  52           HN       ALA  52  -3.212  -3.292 -12.730
  545    HA   ALA  52           HA       ALA  52  -4.231  -1.900 -10.489
  546   1HB   ALA  52          1HB       ALA  52  -2.803  -0.822 -12.944
  547   2HB   ALA  52          2HB       ALA  52  -2.974   0.039 -11.427
  548   3HB   ALA  52          3HB       ALA  52  -2.017  -1.429 -11.493
  549    QB   ALA  52           QB       ALA  52  -2.598  -0.737 -11.955
  550    H    GLY  53           HN       GLY  53  -4.995  -1.720 -13.907
  551   1HA   GLY  53          1HA       GLY  53  -7.127  -1.122 -14.822
  552   2HA   GLY  53          2HA       GLY  53  -7.613  -0.507 -13.242
  553    QA   GLY  53           QA       GLY  53  -7.370  -0.814 -14.032
  554    H    LYS  54           HN       LYS  54  -4.682   0.195 -15.057
  555    HA   LYS  54           HA       LYS  54  -5.572   3.052 -15.167
  556   1HB   LYS  54          2HB       LYS  54  -2.865   1.861 -14.530
  557   2HB   LYS  54          3HB       LYS  54  -3.006   3.511 -15.107
  558   1HG   LYS  54          2HG       LYS  54  -4.419   2.394 -12.655
  559   2HG   LYS  54          3HG       LYS  54  -2.979   3.407 -12.617
  560   1HD   LYS  54          2HD       LYS  54  -4.497   5.021 -14.118
  561   2HD   LYS  54          3HD       LYS  54  -5.805   4.145 -13.338
  562   1HE   LYS  54          2HE       LYS  54  -5.348   6.104 -11.999
  563   2HE   LYS  54          3HE       LYS  54  -4.758   4.711 -11.107
  564   1HZ   LYS  54          2HZ       LYS  54  -2.653   5.597 -12.737
  565   2HZ   LYS  54          3HZ       LYS  54  -3.324   6.971 -11.978
  566   3HZ   LYS  54          1HZ       LYS  54  -2.780   5.700 -11.010
  567    QB   LYS  54           QB       LYS  54  -2.936   2.686 -14.818
  568    QG   LYS  54           QG       LYS  54  -3.699   2.901 -12.636
  569    QD   LYS  54           QD       LYS  54  -5.151   4.583 -13.728
  570    QE   LYS  54           QE       LYS  54  -5.053   5.408 -11.553
  571    QZ   LYS  54           QZ       LYS  54  -2.919   6.089 -11.908
  572    HA   PRO  55           HA       PRO  55  -3.749   2.931 -19.268
  573   1HB   PRO  55          2HB       PRO  55  -4.359   5.559 -19.932
  574   2HB   PRO  55          3HB       PRO  55  -5.405   4.177 -20.268
  575   1HG   PRO  55          2HG       PRO  55  -5.771   6.316 -18.273
  576   2HG   PRO  55          3HG       PRO  55  -6.936   5.112 -18.832
  577   1HD   PRO  55          2HD       PRO  55  -5.426   5.104 -16.349
  578   2HD   PRO  55          3HD       PRO  55  -6.648   3.940 -16.892
  579    QB   PRO  55           QB       PRO  55  -4.882   4.868 -20.100
  580    QG   PRO  55           QG       PRO  55  -6.354   5.714 -18.552
  581    QD   PRO  55           QD       PRO  55  -6.037   4.522 -16.620
  582    H    VAL  56           HN       VAL  56  -3.407   5.028 -16.794
  583    HA   VAL  56           HA       VAL  56  -0.618   5.765 -17.565
  584    HB   VAL  56           HB       VAL  56  -1.034   7.807 -15.994
  585   1HG1  VAL  56          1HG1      VAL  56  -2.458   7.574 -18.674
  586   2HG1  VAL  56          2HG1      VAL  56  -1.996   9.087 -17.898
  587   3HG1  VAL  56          3HG1      VAL  56  -0.757   7.963 -18.451
  588   1HG2  VAL  56          2HG2      VAL  56  -3.213   7.003 -15.089
  589   2HG2  VAL  56          3HG2      VAL  56  -3.376   8.559 -15.889
  590   3HG2  VAL  56          1HG2      VAL  56  -3.906   7.094 -16.705
  591    QG1  VAL  56           QG1      VAL  56  -1.737   8.208 -18.341
  592    QG2  VAL  56           QG2      VAL  56  -3.499   7.552 -15.894
  593    QQG  VAL  56           QQG      VAL  56  -2.618   7.880 -17.118
  594    H    GLU  57           HN       GLU  57   0.658   4.509 -16.443
  595    HA   GLU  57           HA       GLU  57   0.071   4.011 -13.549
  596   1HB   GLU  57          2HB       GLU  57   1.215   1.842 -13.826
  597   2HB   GLU  57          3HB       GLU  57  -0.121   1.970 -14.968
  598   1HG   GLU  57          2HG       GLU  57   1.380   1.521 -16.621
  599   2HG   GLU  57          3HG       GLU  57   2.091   3.099 -16.323
  600    QB   GLU  57           QB       GLU  57   0.547   1.906 -14.397
  601    QG   GLU  57           QG       GLU  57   1.736   2.310 -16.472
  602    H    THR  58           HN       THR  58   1.967   3.447 -12.311
  603    HA   THR  58           HA       THR  58   4.609   4.418 -13.103
  604    HB   THR  58           HB       THR  58   4.709   6.006 -11.089
  605    HG1  THR  58          1HG       THR  58   2.983   6.027  -9.837
  606   1HG2  THR  58          2HG2      THR  58   4.109   6.968 -13.377
  607   2HG2  THR  58          3HG2      THR  58   2.412   6.711 -12.980
  608   3HG2  THR  58          1HG2      THR  58   3.372   7.846 -12.036
  609    QG2  THR  58           QG2      THR  58   3.298   7.175 -12.797
  610    H    VAL  59           HN       VAL  59   6.049   4.044 -10.920
  611    HA   VAL  59           HA       VAL  59   4.874   1.631  -9.615
  612    HB   VAL  59           HB       VAL  59   7.253   0.946  -9.145
  613   1HG1  VAL  59          1HG1      VAL  59   5.931  -0.064 -10.958
  614   2HG1  VAL  59          2HG1      VAL  59   6.458   1.215 -12.050
  615   3HG1  VAL  59          3HG1      VAL  59   7.631   0.062 -11.413
  616   1HG2  VAL  59          1HG2      VAL  59   8.301   3.154  -9.449
  617   2HG2  VAL  59          2HG2      VAL  59   9.026   1.958 -10.519
  618   3HG2  VAL  59          3HG2      VAL  59   7.873   3.122 -11.159
  619    QG1  VAL  59           QG1      VAL  59   6.673   0.404 -11.474
  620    QG2  VAL  59           QG2      VAL  59   8.400   2.744 -10.376
  621    QQG  VAL  59           QQG      VAL  59   7.537   1.574 -10.925
  622    HA   PRO  60           HA       PRO  60   5.337   0.325  -8.051
  623   1HB   PRO  60          2HB       PRO  60   4.414  -0.164  -5.517
  624   2HB   PRO  60          3HB       PRO  60   6.128  -0.248  -5.942
  625   1HG   PRO  60          2HG       PRO  60   4.623   1.995  -4.585
  626   2HG   PRO  60          3HG       PRO  60   6.219   1.342  -4.203
  627   1HD   PRO  60          2HD       PRO  60   5.838   3.657  -5.678
  628   2HD   PRO  60          3HD       PRO  60   7.258   2.611  -5.902
  629    QB   PRO  60           QB       PRO  60   5.271  -0.206  -5.730
  630    QG   PRO  60           QG       PRO  60   5.421   1.669  -4.394
  631    QD   PRO  60           QD       PRO  60   6.548   3.134  -5.790
  632    H    GLN  61           HN       GLN  61   3.131  -0.758  -7.104
  633    HA   GLN  61           HA       GLN  61   0.913   1.212  -7.628
  634   1HB   GLN  61          2HB       GLN  61   1.111  -1.705  -8.475
  635   2HB   GLN  61          3HB       GLN  61  -0.363  -0.754  -8.588
  636   1HG   GLN  61          2HG       GLN  61   2.241   0.074  -9.918
  637   2HG   GLN  61          3HG       GLN  61   0.989  -0.850 -10.733
  638   1HE2  GLN  61          2HE2      GLN  61   0.469   3.128 -10.189
  639   2HE2  GLN  61          1HE2      GLN  61   1.868   2.345  -9.634
  640    QB   GLN  61           QB       GLN  61   0.374  -1.230  -8.531
  641    QG   GLN  61           QG       GLN  61   1.615  -0.388 -10.326
  642    QE2  GLN  61           QE2      GLN  61   1.168   2.736  -9.911
  643    H    ILE  62           HN       ILE  62  -0.946   0.974  -6.304
  644    HA   ILE  62           HA       ILE  62  -0.556  -0.897  -4.004
  645    HB   ILE  62           HB       ILE  62  -1.751   1.894  -3.981
  646   1HG1  ILE  62          2HG1      ILE  62   0.240   2.082  -2.230
  647   2HG1  ILE  62          3HG1      ILE  62   0.891   0.736  -3.161
  648   1HG2  ILE  62          2HG2      ILE  62  -1.441  -0.140  -1.740
  649   2HG2  ILE  62          3HG2      ILE  62  -1.854   1.554  -1.492
  650   3HG2  ILE  62          1HG2      ILE  62  -2.951   0.501  -2.377
  651   1HD1  ILE  62          1HD1      ILE  62   0.008   3.387  -4.328
  652   2HD1  ILE  62          2HD1      ILE  62   1.678   2.898  -4.053
  653   3HD1  ILE  62          3HD1      ILE  62   0.690   2.053  -5.237
  654    QG1  ILE  62           QG1      ILE  62   0.565   1.409  -2.696
  655    QG2  ILE  62           QG2      ILE  62  -2.082   0.638  -1.869
  656    QD1  ILE  62           QD1      ILE  62   0.792   2.779  -4.539
  657    H    PHE  63           HN       PHE  63  -2.134  -1.909  -3.214
  658    HA   PHE  63           HA       PHE  63  -4.867  -1.754  -4.435
  659   1HB   PHE  63          2HB       PHE  63  -3.145  -4.136  -3.655
  660   2HB   PHE  63          3HB       PHE  63  -4.897  -4.276  -3.721
  661    HD1  PHE  63          2HD       PHE  63  -1.868  -3.584  -5.769
  662    HD2  PHE  63          1HD       PHE  63  -6.062  -4.340  -5.824
  663    HE1  PHE  63          2HE       PHE  63  -1.794  -3.872  -8.217
  664    HE2  PHE  63          1HE       PHE  63  -5.986  -4.603  -8.259
  665    HZ   PHE  63           HZ       PHE  63  -3.867  -4.307  -9.453
  666    QB   PHE  63           QB       PHE  63  -4.021  -4.206  -3.688
  667    QR   PHE  63           QR       PHE  63  -3.927  -4.100  -7.017
  668    H    VAL  64           HN       VAL  64  -6.368  -1.228  -2.858
  669    HA   VAL  64           HA       VAL  64  -5.434  -1.536  -0.027
  670    HB   VAL  64           HB       VAL  64  -7.555   0.206  -1.336
  671   1HG1  VAL  64          3HG1      VAL  64  -7.093  -0.170   1.650
  672   2HG1  VAL  64          1HG1      VAL  64  -8.044   1.115   0.928
  673   3HG1  VAL  64          2HG1      VAL  64  -8.589  -0.542   0.784
  674   1HG2  VAL  64          1HG2      VAL  64  -5.160   0.960  -1.258
  675   2HG2  VAL  64          2HG2      VAL  64  -6.213   1.992  -0.290
  676   3HG2  VAL  64          3HG2      VAL  64  -5.196   0.786   0.493
  677    QG1  VAL  64           QG1      VAL  64  -7.909   0.134   1.121
  678    QG2  VAL  64           QG2      VAL  64  -5.523   1.246  -0.351
  679    QQG  VAL  64           QQG      VAL  64  -6.716   0.690   0.385
  680    H    ASP  65           HN       ASP  65  -7.640  -1.916   1.351
  681    HA   ASP  65           HA       ASP  65  -8.222  -4.579   1.347
  682   1HB   ASP  65          2HB       ASP  65  -8.841  -2.918   3.073
  683   2HB   ASP  65          3HB       ASP  65 -10.105  -2.306   2.041
  684    QB   ASP  65           QB       ASP  65  -9.473  -2.612   2.557
  685    H    GLN  66           HN       GLN  66  -9.889  -2.148  -0.524
  686    HA   GLN  66           HA       GLN  66 -11.749  -4.204  -1.521
  687   1HB   GLN  66          2HB       GLN  66 -11.706  -1.272  -2.283
  688   2HB   GLN  66          3HB       GLN  66 -13.021  -2.409  -2.498
  689   1HG   GLN  66          2HG       GLN  66 -13.661  -1.279  -0.533
  690   2HG   GLN  66          3HG       GLN  66 -12.890  -2.726   0.098
  691   1HE2  GLN  66          2HE2      GLN  66 -10.220   0.333   0.241
  692   2HE2  GLN  66          1HE2      GLN  66 -10.775  -0.255  -1.247
  693    QB   GLN  66           QB       GLN  66 -12.363  -1.840  -2.391
  694    QG   GLN  66           QG       GLN  66 -13.275  -2.003  -0.217
  695    QE2  GLN  66           QE2      GLN  66 -10.498   0.039  -0.503
  696    H    GLN  67           HN       GLN  67 -10.078  -1.644  -3.448
  697    HA   GLN  67           HA       GLN  67  -9.384  -3.760  -5.412
  698   1HB   GLN  67          2HB       GLN  67 -10.173  -2.184  -7.128
  699   2HB   GLN  67          3HB       GLN  67 -11.461  -2.599  -6.037
  700   1HG   GLN  67          2HG       GLN  67 -11.401  -0.482  -4.981
  701   2HG   GLN  67          3HG       GLN  67  -9.776  -0.131  -5.565
  702   1HE2  GLN  67          2HE2      GLN  67 -10.870   1.192  -8.636
  703   2HE2  GLN  67          1HE2      GLN  67  -9.553   0.790  -7.633
  704    QB   GLN  67           QB       GLN  67 -10.817  -2.392  -6.583
  705    QG   GLN  67           QG       GLN  67 -10.588  -0.307  -5.273
  706    QE2  GLN  67           QE2      GLN  67 -10.212   0.991  -8.135
  707    H    HIS  68           HN       HIS  68  -8.257  -2.263  -7.367
  708    HA   HIS  68           HA       HIS  68  -5.680  -1.539  -6.240
  709   1HB   HIS  68          2HB       HIS  68  -5.903  -2.346  -8.590
  710   2HB   HIS  68          3HB       HIS  68  -6.780  -0.896  -8.985
  711    HD1  HIS  68           HD1      HIS  68  -5.386   0.794  -9.919
  712    HD2  HIS  68           HD2      HIS  68  -3.131  -1.509  -7.373
  713    HE1  HIS  68           HE1      HIS  68  -3.048   1.796  -9.896
  714    QB   HIS  68           QB       HIS  68  -6.341  -1.621  -8.788
  715    H    ILE  69           HN       ILE  69  -4.986   0.579  -5.821
  716    HA   ILE  69           HA       ILE  69  -7.184   2.605  -5.826
  717    HB   ILE  69           HB       ILE  69  -4.731   2.393  -4.053
  718   1HG1  ILE  69          2HG1      ILE  69  -6.187   0.646  -3.366
  719   2HG1  ILE  69          3HG1      ILE  69  -6.574   1.986  -2.306
  720   1HG2  ILE  69          1HG2      ILE  69  -7.127   4.244  -3.916
  721   2HG2  ILE  69          2HG2      ILE  69  -5.858   4.137  -2.701
  722   3HG2  ILE  69          3HG2      ILE  69  -5.479   4.719  -4.321
  723   1HD1  ILE  69          2HD1      ILE  69  -8.533   2.564  -3.677
  724   2HD1  ILE  69          3HD1      ILE  69  -8.185   1.216  -4.750
  725   3HD1  ILE  69          1HD1      ILE  69  -8.638   0.913  -3.085
  726    QG1  ILE  69           QG1      ILE  69  -6.381   1.316  -2.836
  727    QG2  ILE  69           QG2      ILE  69  -6.155   4.367  -3.646
  728    QD1  ILE  69           QD1      ILE  69  -8.452   1.565  -3.837
  729    H    GLY  70           HN       GLY  70  -3.808   2.060  -6.634
  730   1HA   GLY  70          1HA       GLY  70  -3.436   3.443  -8.860
  731   2HA   GLY  70          2HA       GLY  70  -3.669   4.797  -7.782
  732    QA   GLY  70           QA       GLY  70  -3.552   4.120  -8.321
  733    H    GLY  71           HN       GLY  71  -1.566   5.570  -8.091
  734   1HA   GLY  71          1HA       GLY  71   0.695   3.787  -7.295
  735   2HA   GLY  71          2HA       GLY  71   0.850   5.349  -8.098
  736    QA   GLY  71           QA       GLY  71   0.772   4.568  -7.697
  737    OH   TYR  72           OH       TYR  72   3.850   8.950   1.092
  738    H    TYR  72           HN       TYR  72   2.493   5.538  -6.258
  739    HA   TYR  72           HA       TYR  72   1.759   5.691  -3.542
  740   1HB   TYR  72          2HB       TYR  72   4.121   5.936  -4.287
  741   2HB   TYR  72          3HB       TYR  72   3.752   7.544  -4.915
  742    HD1  TYR  72           HD2      TYR  72   4.096   5.513  -1.832
  743    HD2  TYR  72           HD1      TYR  72   3.377   9.416  -3.383
  744    HE1  TYR  72           HE2      TYR  72   4.173   6.437   0.438
  745    HE2  TYR  72           HE1      TYR  72   3.470  10.328  -1.116
  746    HH   TYR  72           HH       TYR  72   3.192   9.653   1.141
  747    QB   TYR  72           QB       TYR  72   3.937   6.740  -4.601
  748    QR   TYR  72           QR       TYR  72   3.779   7.924  -1.474
  749    H    THR  73           HN       THR  73   1.573   8.342  -5.954
  750    HA   THR  73           HA       THR  73   0.540  10.276  -4.107
  751    HB   THR  73           HB       THR  73  -0.431  11.226  -6.427
  752    HG1  THR  73          1HG       THR  73  -0.288   9.540  -7.762
  753   1HG2  THR  73          1HG2      THR  73   2.568  10.673  -6.160
  754   2HG2  THR  73          2HG2      THR  73   1.830  11.936  -7.137
  755   3HG2  THR  73          3HG2      THR  73   1.751  12.029  -5.379
  756    QG2  THR  73           QG2      THR  73   2.050  11.546  -6.225
  757    H    ASP  74           HN       ASP  74  -1.149   8.492  -6.609
  758    HA   ASP  74           HA       ASP  74  -3.802   9.028  -6.088
  759   1HB   ASP  74          2HB       ASP  74  -2.844   6.199  -6.599
  760   2HB   ASP  74          3HB       ASP  74  -4.357   6.917  -7.115
  761    QB   ASP  74           QB       ASP  74  -3.600   6.558  -6.857
  762    H    PHE  75           HN       PHE  75  -1.942   6.404  -4.635
  763    HA   PHE  75           HA       PHE  75  -3.925   5.546  -2.781
  764   1HB   PHE  75          2HB       PHE  75  -1.999   4.146  -3.356
  765   2HB   PHE  75          3HB       PHE  75  -0.892   5.348  -2.716
  766    HD1  PHE  75          2HD       PHE  75  -3.987   3.599  -1.462
  767    HD2  PHE  75          1HD       PHE  75   0.021   4.784  -0.666
  768    HE1  PHE  75          2HE       PHE  75  -4.088   2.511   0.738
  769    HE2  PHE  75          1HE       PHE  75  -0.079   3.672   1.513
  770    HZ   PHE  75           HZ       PHE  75  -2.138   2.533   2.212
  771    QB   PHE  75           QB       PHE  75  -1.445   4.747  -3.036
  772    QR   PHE  75           QR       PHE  75  -2.033   3.641   0.031
  773    H    ALA  76           HN       ALA  76  -1.029   7.572  -2.218
  774    HA   ALA  76           HA       ALA  76  -1.395   8.265   0.441
  775   1HB   ALA  76          3HB       ALA  76  -0.623  10.141  -1.828
  776   2HB   ALA  76          1HB       ALA  76  -0.302  10.431  -0.121
  777   3HB   ALA  76          2HB       ALA  76   0.476   9.087  -0.947
  778    QB   ALA  76           QB       ALA  76  -0.150   9.886  -0.966
  779    H    ALA  77           HN       ALA  77  -2.818   9.974  -2.311
  780    HA   ALA  77           HA       ALA  77  -4.449  11.774  -0.804
  781   1HB   ALA  77          3HB       ALA  77  -4.932  10.620  -3.584
  782   2HB   ALA  77          1HB       ALA  77  -5.733  12.039  -2.916
  783   3HB   ALA  77          2HB       ALA  77  -4.004  12.073  -3.229
  784    QB   ALA  77           QB       ALA  77  -4.889  11.577  -3.243
  785    CH2  TRP  78           CH2      TRP  78  -9.170   3.253   1.304
  786    H    TRP  78           HN       TRP  78  -5.361   8.774  -2.491
  787    HA   TRP  78           HA       TRP  78  -7.966   8.457  -1.656
  788   1HB   TRP  78          2HB       TRP  78  -6.673   6.837  -3.049
  789   2HB   TRP  78          3HB       TRP  78  -5.886   6.262  -1.607
  790    HD1  TRP  78           HD1      TRP  78  -9.198   6.003  -3.503
  791    HE1  TRP  78           HE1      TRP  78 -10.737   4.374  -2.372
  792    HE3  TRP  78           HE3      TRP  78  -6.465   5.173   0.589
  793    HZ2  TRP  78           HZ2      TRP  78 -10.840   2.928   0.026
  794    HZ3  TRP  78           HZ3      TRP  78  -7.383   3.727   2.371
  795    HH2  TRP  78           HH2      TRP  78  -9.550   2.618   2.091
  796    QB   TRP  78           QB       TRP  78  -6.279   6.549  -2.328
  797    H    VAL  79           HN       VAL  79  -5.076   7.597   0.186
  798    HA   VAL  79           HA       VAL  79  -6.394   6.703   2.564
  799    HB   VAL  79           HB       VAL  79  -3.646   7.964   2.192
  800   1HG1  VAL  79          1HG1      VAL  79  -4.736   6.323   4.503
  801   2HG1  VAL  79          2HG1      VAL  79  -3.073   6.870   4.339
  802   3HG1  VAL  79          3HG1      VAL  79  -4.364   8.038   4.566
  803   1HG2  VAL  79          3HG2      VAL  79  -4.022   5.879   0.906
  804   2HG2  VAL  79          1HG2      VAL  79  -2.878   5.611   2.214
  805   3HG2  VAL  79          2HG2      VAL  79  -4.545   5.070   2.374
  806    QG1  VAL  79           QG1      VAL  79  -4.058   7.077   4.469
  807    QG2  VAL  79           QG2      VAL  79  -3.815   5.520   1.831
  808    QQG  VAL  79           QQG      VAL  79  -3.936   6.298   3.150
  809    H    LYS  80           HN       LYS  80  -5.313   9.884   1.503
  810    HA   LYS  80           HA       LYS  80  -6.383  11.142   3.932
  811   1HB   LYS  80          2HB       LYS  80  -4.315  11.701   2.063
  812   2HB   LYS  80          3HB       LYS  80  -5.470  13.026   1.997
  813   1HG   LYS  80          2HG       LYS  80  -3.828  13.487   3.733
  814   2HG   LYS  80          3HG       LYS  80  -5.397  13.196   4.468
  815   1HD   LYS  80          2HD       LYS  80  -3.945  10.687   4.224
  816   2HD   LYS  80          3HD       LYS  80  -2.941  11.871   5.039
  817   1HE   LYS  80          2HE       LYS  80  -4.093  11.097   6.876
  818   2HE   LYS  80          3HE       LYS  80  -5.220  12.349   6.380
  819   1HZ   LYS  80          1HZ       LYS  80  -5.840   9.973   4.981
  820   2HZ   LYS  80          2HZ       LYS  80  -5.694   9.632   6.631
  821   3HZ   LYS  80          3HZ       LYS  80  -6.778  10.832   6.107
  822    QB   LYS  80           QB       LYS  80  -4.892  12.364   2.030
  823    QG   LYS  80           QG       LYS  80  -4.612  13.342   4.100
  824    QD   LYS  80           QD       LYS  80  -3.443  11.279   4.631
  825    QE   LYS  80           QE       LYS  80  -4.656  11.723   6.628
  826    QZ   LYS  80           QZ       LYS  80  -6.104  10.146   5.906
  827    H    GLU  81           HN       GLU  81  -8.051   9.918   1.704
  828    HA   GLU  81           HA       GLU  81  -9.933  12.233   1.528
  829   1HB   GLU  81          2HB       GLU  81  -9.229  10.273  -0.687
  830   2HB   GLU  81          3HB       GLU  81 -10.550  11.432  -0.772
  831   1HG   GLU  81          2HG       GLU  81  -9.032  13.304  -0.618
  832   2HG   GLU  81          3HG       GLU  81  -7.676  12.262  -0.229
  833    QB   GLU  81           QB       GLU  81  -9.890  10.853  -0.729
  834    QG   GLU  81           QG       GLU  81  -8.354  12.783  -0.423
  835    H    ASN  82           HN       ASN  82  -9.552   8.728   1.410
  836    HA   ASN  82           HA       ASN  82 -12.429   8.322   1.926
  837   1HB   ASN  82          2HB       ASN  82 -10.133   6.497   1.211
  838   2HB   ASN  82          3HB       ASN  82 -11.573   5.822   1.954
  839   1HD2  ASN  82          2HD2      ASN  82 -12.241   7.701  -1.633
  840   2HD2  ASN  82          1HD2      ASN  82 -11.257   8.456  -0.472
  841    QB   ASN  82           QB       ASN  82 -10.853   6.159   1.582
  842    QD2  ASN  82           QD2      ASN  82 -11.749   8.079  -1.053
  843    H    LEU  83           HN       LEU  83  -9.436   8.315   3.776
  844    HA   LEU  83           HA       LEU  83 -10.871   6.881   5.987
  845   1HB   LEU  83          2HB       LEU  83  -7.965   7.740   5.917
  846   2HB   LEU  83          3HB       LEU  83  -8.718   6.665   7.081
  847    HG   LEU  83           HG       LEU  83  -8.283   6.107   4.124
  848   1HD1  LEU  83          2HD1      LEU  83  -6.308   5.889   5.626
  849   2HD1  LEU  83          3HD1      LEU  83  -7.211   4.772   6.639
  850   3HD1  LEU  83          1HD1      LEU  83  -6.808   4.332   4.982
  851   1HD2  LEU  83          2HD2      LEU  83  -9.618   4.391   6.262
  852   2HD2  LEU  83          3HD2      LEU  83 -10.430   5.113   4.875
  853   3HD2  LEU  83          1HD2      LEU  83  -9.227   3.858   4.632
  854    QB   LEU  83           QB       LEU  83  -8.342   7.202   6.499
  855    QD1  LEU  83           QD1      LEU  83  -6.776   4.997   5.749
  856    QD2  LEU  83           QD2      LEU  83  -9.758   4.454   5.256
  857    QQD  LEU  83           QQD      LEU  83  -8.267   4.726   5.502
  858    H    ASP  84           HN       ASP  84 -10.914   9.864   4.988
  859    HA   ASP  84           HA       ASP  84 -10.535  11.085   7.696
  860   1HB   ASP  84          2HB       ASP  84 -10.444  12.414   4.966
  861   2HB   ASP  84          3HB       ASP  84 -10.133  13.203   6.510
  862    QB   ASP  84           QB       ASP  84 -10.288  12.809   5.738
  863    H    ALA  85           HN       ALA  85 -12.454  11.762   4.775
  864    HA   ALA  85           HA       ALA  85 -14.844  12.084   6.533
  865   1HB   ALA  85          3HB       ALA  85 -14.040  14.320   5.793
  866   2HB   ALA  85          1HB       ALA  85 -14.130  13.792   4.116
  867   3HB   ALA  85          2HB       ALA  85 -15.601  13.944   5.068
  868    QB   ALA  85           QB       ALA  85 -14.591  14.019   4.992
   
  Start of MODEL           8
 Raw file had 868 H/Q atoms
  Start of MODEL    8
    1    H    MET   1           HN       MET   1  -7.360  -3.078   8.575
    2    HA   MET   1           HA       MET   1  -8.479  -3.919   6.111
    3   1HB   MET   1          2HB       MET   1  -8.106  -1.526   6.858
    4   2HB   MET   1          3HB       MET   1  -6.380  -1.768   6.666
    5   1HG   MET   1          2HG       MET   1  -6.645  -2.176   4.286
    6   2HG   MET   1          3HG       MET   1  -8.381  -2.123   4.440
    7   1HE   MET   1          3HE       MET   1  -9.646  -0.627   3.736
    8   2HE   MET   1          1HE       MET   1  -9.690   0.432   5.147
    9   3HE   MET   1          2HE       MET   1  -9.418   1.102   3.538
   10    QB   MET   1           QB       MET   1  -7.243  -1.647   6.762
   11    QG   MET   1           QG       MET   1  -7.513  -2.149   4.363
   12    QE   MET   1           QE       MET   1  -9.585   0.302   4.140
   13    H    GLN   2           HN       GLN   2  -7.336  -4.571   4.148
   14    HA   GLN   2           HA       GLN   2  -4.578  -5.613   4.684
   15   1HB   GLN   2          2HB       GLN   2  -6.683  -6.852   2.884
   16   2HB   GLN   2          3HB       GLN   2  -5.085  -7.481   3.211
   17   1HG   GLN   2          2HG       GLN   2  -5.614  -8.033   5.461
   18   2HG   GLN   2          3HG       GLN   2  -7.040  -6.994   5.467
   19   1HE2  GLN   2          2HE2      GLN   2  -8.810  -9.324   3.230
   20   2HE2  GLN   2          1HE2      GLN   2  -8.421  -7.665   3.249
   21    QB   GLN   2           QB       GLN   2  -5.884  -7.167   3.048
   22    QG   GLN   2           QG       GLN   2  -6.327  -7.514   5.464
   23    QE2  GLN   2           QE2      GLN   2  -8.616  -8.495   3.240
   24    H    THR   3           HN       THR   3  -3.771  -3.648   3.806
   25    HA   THR   3           HA       THR   3  -4.375  -3.047   0.993
   26    HB   THR   3           HB       THR   3  -2.335  -1.730   2.865
   27    HG1  THR   3          1HG       THR   3  -4.120  -1.064   3.851
   28   1HG2  THR   3          2HG2      THR   3  -3.971  -0.707   0.500
   29   2HG2  THR   3          3HG2      THR   3  -2.817   0.236   1.431
   30   3HG2  THR   3          1HG2      THR   3  -2.258  -1.085   0.414
   31    QG2  THR   3           QG2      THR   3  -3.015  -0.519   0.782
   32    H    VAL   4           HN       VAL   4  -3.116  -3.714  -0.696
   33    HA   VAL   4           HA       VAL   4  -0.586  -5.226  -0.057
   34    HB   VAL   4           HB       VAL   4  -2.591  -5.562  -2.322
   35   1HG1  VAL   4          3HG1      VAL   4  -0.013  -7.071  -1.715
   36   2HG1  VAL   4          1HG1      VAL   4  -1.180  -7.501  -2.964
   37   3HG1  VAL   4          2HG1      VAL   4  -0.278  -5.997  -3.089
   38   1HG2  VAL   4          3HG2      VAL   4  -3.328  -6.482  -0.136
   39   2HG2  VAL   4          1HG2      VAL   4  -2.974  -7.774  -1.279
   40   3HG2  VAL   4          2HG2      VAL   4  -1.819  -7.380  -0.008
   41    QG1  VAL   4           QG1      VAL   4  -0.490  -6.856  -2.589
   42    QG2  VAL   4           QG2      VAL   4  -2.707  -7.212  -0.474
   43    QQG  VAL   4           QQG      VAL   4  -1.599  -7.034  -1.532
   44    H    ILE   5           HN       ILE   5   1.209  -4.612  -1.024
   45    HA   ILE   5           HA       ILE   5   1.036  -2.341  -2.977
   46    HB   ILE   5           HB       ILE   5   3.340  -3.108  -1.141
   47   1HG1  ILE   5          2HG1      ILE   5   1.417  -0.772  -0.814
   48   2HG1  ILE   5          3HG1      ILE   5   1.220  -2.297   0.043
   49   1HG2  ILE   5          3HG2      ILE   5   3.995  -1.875  -3.203
   50   2HG2  ILE   5          1HG2      ILE   5   2.834  -0.604  -2.812
   51   3HG2  ILE   5          2HG2      ILE   5   4.232  -0.883  -1.771
   52   1HD1  ILE   5          2HD1      ILE   5   3.668  -0.509   0.185
   53   2HD1  ILE   5          3HD1      ILE   5   2.434  -0.659   1.434
   54   3HD1  ILE   5          1HD1      ILE   5   3.463  -2.037   1.036
   55    QG1  ILE   5           QG1      ILE   5   1.319  -1.534  -0.386
   56    QG2  ILE   5           QG2      ILE   5   3.687  -1.121  -2.596
   57    QD1  ILE   5           QD1      ILE   5   3.189  -1.068   0.885
   58    H    PHE   6           HN       PHE   6   1.576  -2.903  -5.019
   59    HA   PHE   6           HA       PHE   6   3.146  -5.373  -5.522
   60   1HB   PHE   6          2HB       PHE   6   1.734  -3.425  -7.409
   61   2HB   PHE   6          3HB       PHE   6   2.558  -4.884  -7.926
   62    HD1  PHE   6          1HD       PHE   6   1.420  -6.419  -5.308
   63    HD2  PHE   6          2HD       PHE   6  -0.342  -4.232  -8.503
   64    HE1  PHE   6          1HE       PHE   6  -0.576  -7.829  -5.174
   65    HE2  PHE   6          2HE       PHE   6  -2.357  -5.631  -8.352
   66    HZ   PHE   6           HZ       PHE   6  -2.463  -7.456  -6.704
   67    QB   PHE   6           QB       PHE   6   2.146  -4.154  -7.668
   68    QR   PHE   6           QR       PHE   6  -0.464  -6.028  -6.834
   69    H    GLY   7           HN       GLY   7   5.169  -4.537  -4.748
   70   1HA   GLY   7          1HA       GLY   7   6.217  -2.236  -6.381
   71   2HA   GLY   7          2HA       GLY   7   6.691  -2.510  -4.708
   72    QA   GLY   7           QA       GLY   7   6.454  -2.373  -5.545
   73    NH1  ARG   8           NH2      ARG   8  11.158  -6.432  -8.459
   74    NH2  ARG   8           NH1      ARG   8  12.943  -5.814  -7.176
   75    H    ARG   8           HN       ARG   8   8.828  -2.394  -5.823
   76    HA   ARG   8           HA       ARG   8   9.568  -5.064  -6.927
   77   1HB   ARG   8          2HB       ARG   8  10.436  -2.275  -7.500
   78   2HB   ARG   8          3HB       ARG   8  11.753  -3.428  -7.390
   79   1HG   ARG   8          2HG       ARG   8   9.853  -4.696  -9.000
   80   2HG   ARG   8          3HG       ARG   8   9.748  -3.020  -9.488
   81   1HD   ARG   8          2HD       ARG   8  11.465  -4.165 -10.834
   82   2HD   ARG   8          3HD       ARG   8  12.207  -2.941  -9.821
   83    HE   ARG   8           HE       ARG   8  13.541  -5.030  -9.589
   84   1HH1  ARG   8          2HH2      ARG   8  10.662  -6.334  -9.317
   85   2HH1  ARG   8          1HH2      ARG   8  10.802  -7.036  -7.746
   86   1HH2  ARG   8          2HH1      ARG   8  13.721  -5.197  -7.034
   87   2HH2  ARG   8          1HH1      ARG   8  12.706  -6.484  -6.457
   88    QB   ARG   8           QB       ARG   8  11.094  -2.851  -7.445
   89    QG   ARG   8           QG       ARG   8   9.800  -3.858  -9.244
   90    QD   ARG   8           QD       ARG   8  11.836  -3.553 -10.328
   91    QH1  ARG   8           QH2      ARG   8  10.732  -6.685  -8.532
   92    QH2  ARG   8           QH1      ARG   8  13.213  -5.841  -6.745
   93    H    SER   9           HN       SER   9  10.896  -6.274  -5.764
   94    HA   SER   9           HA       SER   9  11.672  -5.589  -3.107
   95   1HB   SER   9          2HB       SER   9  13.182  -7.735  -3.485
   96   2HB   SER   9          3HB       SER   9  11.419  -7.917  -3.521
   97    HG   SER   9           HG       SER   9  11.574  -8.431  -5.535
   98    QB   SER   9           QB       SER   9  12.301  -7.826  -3.503
   99    H    GLY  10           HN       GLY  10  12.896  -3.726  -3.112
  100   1HA   GLY  10          1HA       GLY  10  15.228  -3.010  -2.744
  101   2HA   GLY  10          2HA       GLY  10  15.708  -4.040  -4.087
  102    QA   GLY  10           QA       GLY  10  15.468  -3.525  -3.415
  103    H    CYS  11           HN       CYS  11  12.847  -2.144  -4.405
  104    HA   CYS  11           HA       CYS  11  14.238  -0.446  -6.410
  105   1HB   CYS  11          2HB       CYS  11  12.500  -1.436  -7.498
  106   2HB   CYS  11          3HB       CYS  11  11.528  -1.544  -6.052
  107    QB   CYS  11           QB       CYS  11  12.014  -1.490  -6.775
  108    HA   PRO  12           HA       PRO  12  14.517   2.350  -3.184
  109   1HB   PRO  12          2HB       PRO  12  15.039   4.694  -4.604
  110   2HB   PRO  12          3HB       PRO  12  16.236   3.436  -4.269
  111   1HG   PRO  12          2HG       PRO  12  14.649   3.922  -6.791
  112   2HG   PRO  12          3HG       PRO  12  16.330   3.401  -6.627
  113   1HD   PRO  12          2HD       PRO  12  14.303   1.653  -7.223
  114   2HD   PRO  12          3HD       PRO  12  15.724   1.154  -6.279
  115    QB   PRO  12           QB       PRO  12  15.637   4.065  -4.437
  116    QG   PRO  12           QG       PRO  12  15.490   3.661  -6.709
  117    QD   PRO  12           QD       PRO  12  15.014   1.404  -6.751
  118    OH   TYR  13           OH       TYR  13   6.118   8.573  -5.951
  119    H    TYR  13           HN       TYR  13  12.394   3.153  -5.814
  120    HA   TYR  13           HA       TYR  13  10.909   5.128  -4.174
  121   1HB   TYR  13          2HB       TYR  13  11.422   5.560  -6.612
  122   2HB   TYR  13          3HB       TYR  13  10.341   4.235  -7.020
  123    HD1  TYR  13           HD2      TYR  13  10.249   7.242  -4.743
  124    HD2  TYR  13           HD1      TYR  13   8.175   4.886  -7.620
  125    HE1  TYR  13           HE2      TYR  13   8.368   8.807  -4.670
  126    HE2  TYR  13           HE1      TYR  13   6.264   6.419  -7.490
  127    HH   TYR  13           HH       TYR  13   5.541   8.450  -6.713
  128    QB   TYR  13           QB       TYR  13  10.881   4.898  -6.816
  129    QR   TYR  13           QR       TYR  13   8.264   6.839  -6.131
  130    H    CYS  14           HN       CYS  14  10.450   1.898  -5.602
  131    HA   CYS  14           HA       CYS  14   7.661   1.649  -5.193
  132   1HB   CYS  14          2HB       CYS  14   9.760  -0.477  -4.696
  133   2HB   CYS  14          3HB       CYS  14   8.066  -0.755  -5.019
  134    QB   CYS  14           QB       CYS  14   8.913  -0.616  -4.858
  135    H    VAL  15           HN       VAL  15  10.328   1.062  -2.995
  136    HA   VAL  15           HA       VAL  15   9.036   0.145  -0.721
  137    HB   VAL  15           HB       VAL  15  11.262   2.202  -0.799
  138   1HG1  VAL  15          2HG1      VAL  15  10.177   1.926   1.453
  139   2HG1  VAL  15          3HG1      VAL  15  10.465   0.194   1.354
  140   3HG1  VAL  15          1HG1      VAL  15  11.822   1.311   1.435
  141   1HG2  VAL  15          2HG2      VAL  15  11.281  -0.847  -0.724
  142   2HG2  VAL  15          3HG2      VAL  15  11.726   0.134  -2.112
  143   3HG2  VAL  15          1HG2      VAL  15  12.709   0.181  -0.654
  144    QG1  VAL  15           QG1      VAL  15  10.821   1.144   1.414
  145    QG2  VAL  15           QG2      VAL  15  11.905  -0.177  -1.163
  146    QQG  VAL  15           QQG      VAL  15  11.363   0.483   0.125
  147    NH1  ARG  16           NH2      ARG  16  12.721   4.771   0.061
  148    NH2  ARG  16           NH1      ARG  16  11.467   5.053   1.970
  149    H    ARG  16           HN       ARG  16   9.160   3.514  -1.828
  150    HA   ARG  16           HA       ARG  16   8.143   4.934   0.370
  151   1HB   ARG  16          2HB       ARG  16   7.814   5.326  -2.581
  152   2HB   ARG  16          3HB       ARG  16   7.011   6.397  -1.447
  153   1HG   ARG  16          2HG       ARG  16   9.295   7.216  -2.160
  154   2HG   ARG  16          3HG       ARG  16   9.123   7.032  -0.422
  155   1HD   ARG  16          2HD       ARG  16  10.313   4.835  -2.148
  156   2HD   ARG  16          3HD       ARG  16  11.294   6.136  -1.495
  157    HE   ARG  16           HE       ARG  16   9.708   4.320   0.343
  158   1HH1  ARG  16          2HH2      ARG  16  12.721   4.599  -0.933
  159   2HH1  ARG  16          1HH2      ARG  16  13.587   4.833   0.562
  160   1HH2  ARG  16          2HH1      ARG  16  10.552   5.083   2.403
  161   2HH2  ARG  16          1HH1      ARG  16  12.275   5.129   2.549
  162    QB   ARG  16           QB       ARG  16   7.412   5.862  -2.014
  163    QG   ARG  16           QG       ARG  16   9.209   7.124  -1.291
  164    QD   ARG  16           QD       ARG  16  10.804   5.485  -1.822
  165    QH1  ARG  16           QH2      ARG  16  13.154   4.716  -0.186
  166    QH2  ARG  16           QH1      ARG  16  11.413   5.106   2.476
  167    H    ALA  17           HN       ALA  17   6.321   2.920  -1.842
  168    HA   ALA  17           HA       ALA  17   3.699   3.738  -0.872
  169   1HB   ALA  17          3HB       ALA  17   4.629   1.095  -2.050
  170   2HB   ALA  17          1HB       ALA  17   2.948   1.582  -1.858
  171   3HB   ALA  17          2HB       ALA  17   3.995   2.449  -2.974
  172    QB   ALA  17           QB       ALA  17   3.857   1.709  -2.294
  173    H    LYS  18           HN       LYS  18   6.051   1.279   0.103
  174    HA   LYS  18           HA       LYS  18   4.311   0.199   2.166
  175   1HB   LYS  18          2HB       LYS  18   5.945  -1.255   1.216
  176   2HB   LYS  18          3HB       LYS  18   7.249  -0.123   1.528
  177   1HG   LYS  18          2HG       LYS  18   5.638  -1.027   3.883
  178   2HG   LYS  18          3HG       LYS  18   6.729  -2.202   3.159
  179   1HD   LYS  18          2HD       LYS  18   8.622  -0.746   3.431
  180   2HD   LYS  18          3HD       LYS  18   7.620   0.605   3.904
  181   1HE   LYS  18          2HE       LYS  18   7.732  -1.980   5.483
  182   2HE   LYS  18          3HE       LYS  18   8.722  -0.571   5.859
  183   1HZ   LYS  18          3HZ       LYS  18   6.095   0.330   5.534
  184   2HZ   LYS  18          1HZ       LYS  18   6.029  -1.058   6.505
  185   3HZ   LYS  18          2HZ       LYS  18   7.008   0.238   6.983
  186    QB   LYS  18           QB       LYS  18   6.597  -0.689   1.372
  187    QG   LYS  18           QG       LYS  18   6.183  -1.615   3.521
  188    QD   LYS  18           QD       LYS  18   8.121  -0.070   3.668
  189    QE   LYS  18           QE       LYS  18   8.227  -1.276   5.671
  190    QZ   LYS  18           QZ       LYS  18   6.378  -0.163   6.341
  191    H    ASP  19           HN       ASP  19   6.856   2.648   2.073
  192    HA   ASP  19           HA       ASP  19   7.261   2.973   4.823
  193   1HB   ASP  19          2HB       ASP  19   6.983   5.103   2.673
  194   2HB   ASP  19          3HB       ASP  19   7.528   5.429   4.308
  195    QB   ASP  19           QB       ASP  19   7.256   5.266   3.491
  196    H    LEU  20           HN       LEU  20   4.814   4.637   2.861
  197    HA   LEU  20           HA       LEU  20   3.387   5.928   4.861
  198   1HB   LEU  20          2HB       LEU  20   2.827   6.238   2.552
  199   2HB   LEU  20          3HB       LEU  20   2.346   4.561   2.373
  200    HG   LEU  20           HG       LEU  20   0.399   4.905   3.815
  201   1HD1  LEU  20          2HD1      LEU  20   1.466   7.739   4.173
  202   2HD1  LEU  20          3HD1      LEU  20  -0.095   7.162   4.750
  203   3HD1  LEU  20          1HD1      LEU  20   1.387   6.510   5.428
  204   1HD2  LEU  20          3HD2      LEU  20   0.738   7.189   1.842
  205   2HD2  LEU  20          1HD2      LEU  20   0.191   5.567   1.434
  206   3HD2  LEU  20          2HD2      LEU  20  -0.806   6.600   2.461
  207    QB   LEU  20           QB       LEU  20   2.587   5.400   2.463
  208    QD1  LEU  20           QD1      LEU  20   0.919   7.137   4.784
  209    QD2  LEU  20           QD2      LEU  20   0.041   6.452   1.912
  210    QQD  LEU  20           QQD      LEU  20   0.480   6.795   3.348
  211    H    ALA  21           HN       ALA  21   2.410   2.693   3.691
  212    HA   ALA  21           HA       ALA  21   0.354   2.110   5.412
  213   1HB   ALA  21          3HB       ALA  21   2.590   0.199   4.637
  214   2HB   ALA  21          1HB       ALA  21   1.032  -0.286   5.300
  215   3HB   ALA  21          2HB       ALA  21   1.108   0.505   3.732
  216    QB   ALA  21           QB       ALA  21   1.577   0.139   4.556
  217    H    GLU  22           HN       GLU  22   3.797   2.001   6.379
  218    HA   GLU  22           HA       GLU  22   3.420   0.802   8.925
  219   1HB   GLU  22          2HB       GLU  22   5.556   1.860   7.568
  220   2HB   GLU  22          3HB       GLU  22   5.331   3.085   8.803
  221   1HG   GLU  22          2HG       GLU  22   6.757   1.585   9.871
  222   2HG   GLU  22          3HG       GLU  22   5.197   1.022  10.448
  223    QB   GLU  22           QB       GLU  22   5.443   2.472   8.185
  224    QG   GLU  22           QG       GLU  22   5.977   1.303  10.159
  225    H    LYS  23           HN       LYS  23   3.380   4.200   8.013
  226    HA   LYS  23           HA       LYS  23   2.903   5.474  10.457
  227   1HB   LYS  23          2HB       LYS  23   3.128   6.478   8.104
  228   2HB   LYS  23          3HB       LYS  23   1.426   6.138   7.885
  229   1HG   LYS  23          2HG       LYS  23   2.455   7.831  10.187
  230   2HG   LYS  23          3HG       LYS  23   2.052   8.530   8.625
  231   1HD   LYS  23          2HD       LYS  23  -0.211   7.086   9.106
  232   2HD   LYS  23          3HD       LYS  23   0.279   7.454  10.753
  233   1HE   LYS  23          2HE       LYS  23   0.431   9.888  10.095
  234   2HE   LYS  23          3HE       LYS  23  -0.234   9.464   8.523
  235   1HZ   LYS  23          2HZ       LYS  23  -1.818   8.364  10.582
  236   2HZ   LYS  23          3HZ       LYS  23  -1.637  10.015  10.860
  237   3HZ   LYS  23          1HZ       LYS  23  -2.290   9.459   9.368
  238    QB   LYS  23           QB       LYS  23   2.277   6.308   7.994
  239    QG   LYS  23           QG       LYS  23   2.254   8.180   9.406
  240    QD   LYS  23           QD       LYS  23   0.034   7.270   9.930
  241    QE   LYS  23           QE       LYS  23   0.098   9.676   9.309
  242    QZ   LYS  23           QZ       LYS  23  -1.915   9.279  10.270
  243    H    LEU  24           HN       LEU  24   0.562   3.979   8.343
  244    HA   LEU  24           HA       LEU  24  -1.779   4.533   9.966
  245   1HB   LEU  24          2HB       LEU  24  -1.507   2.365   7.867
  246   2HB   LEU  24          3HB       LEU  24  -2.965   3.216   8.335
  247    HG   LEU  24           HG       LEU  24  -0.566   4.481   6.950
  248   1HD1  LEU  24          2HD1      LEU  24  -1.830   2.910   5.537
  249   2HD1  LEU  24          3HD1      LEU  24  -3.328   3.741   5.935
  250   3HD1  LEU  24          1HD1      LEU  24  -2.076   4.562   5.011
  251   1HD2  LEU  24          3HD2      LEU  24  -1.860   6.054   8.415
  252   2HD2  LEU  24          1HD2      LEU  24  -2.007   6.450   6.709
  253   3HD2  LEU  24          2HD2      LEU  24  -3.325   5.625   7.534
  254    QB   LEU  24           QB       LEU  24  -2.236   2.791   8.101
  255    QD1  LEU  24           QD1      LEU  24  -2.411   3.738   5.494
  256    QD2  LEU  24           QD2      LEU  24  -2.397   6.043   7.553
  257    QQD  LEU  24           QQD      LEU  24  -2.404   4.890   6.524
  258    H    SER  25           HN       SER  25   0.039   1.542   9.330
  259    HA   SER  25           HA       SER  25  -1.482  -0.173  10.982
  260   1HB   SER  25          2HB       SER  25   1.520  -0.347  10.551
  261   2HB   SER  25          3HB       SER  25   0.370  -1.683  10.817
  262    HG   SER  25           HG       SER  25   0.781  -0.098   8.572
  263    QB   SER  25           QB       SER  25   0.945  -1.015  10.684
  264    H    ASN  26           HN       ASN  26   0.900   2.219  11.835
  265    HA   ASN  26           HA       ASN  26   0.988   1.288  14.653
  266   1HB   ASN  26          2HB       ASN  26   2.387   3.484  13.100
  267   2HB   ASN  26          3HB       ASN  26   2.490   3.396  14.855
  268   1HD2  ASN  26          2HD2      ASN  26   4.549   0.744  12.567
  269   2HD2  ASN  26          1HD2      ASN  26   3.437   1.817  11.861
  270    QB   ASN  26           QB       ASN  26   2.438   3.440  13.977
  271    QD2  ASN  26           QD2      ASN  26   3.993   1.280  12.214
  272    H    GLU  27           HN       GLU  27  -1.446   2.489  13.270
  273    HA   GLU  27           HA       GLU  27  -2.081   4.482  15.391
  274   1HB   GLU  27          2HB       GLU  27  -2.536   4.633  12.413
  275   2HB   GLU  27          3HB       GLU  27  -3.549   5.525  13.527
  276   1HG   GLU  27          2HG       GLU  27  -1.588   6.714  14.409
  277   2HG   GLU  27          3HG       GLU  27  -0.529   5.756  13.379
  278    QB   GLU  27           QB       GLU  27  -3.042   5.079  12.970
  279    QG   GLU  27           QG       GLU  27  -1.059   6.235  13.894
  280    NH1  ARG  28           NH1      ARG  28  -6.294   6.601   9.699
  281    NH2  ARG  28           NH2      ARG  28  -4.045   6.620   9.543
  282    H    ARG  28           HN       ARG  28  -3.420   2.408  12.846
  283    HA   ARG  28           HA       ARG  28  -5.906   2.120  14.476
  284   1HB   ARG  28          2HB       ARG  28  -5.537   1.566  11.504
  285   2HB   ARG  28          3HB       ARG  28  -7.052   1.583  12.385
  286   1HG   ARG  28          2HG       ARG  28  -7.162   3.748  11.625
  287   2HG   ARG  28          3HG       ARG  28  -6.150   4.059  13.024
  288   1HD   ARG  28          2HD       ARG  28  -4.124   3.646  11.477
  289   2HD   ARG  28          3HD       ARG  28  -5.261   3.721  10.139
  290    HE   ARG  28           HE       ARG  28  -4.951   5.991  12.083
  291   1HH1  ARG  28          2HH1      ARG  28  -7.126   6.306  10.169
  292   2HH1  ARG  28          1HH1      ARG  28  -6.380   7.197   8.887
  293   1HH2  ARG  28          2HH2      ARG  28  -3.159   6.358   9.924
  294   2HH2  ARG  28          1HH2      ARG  28  -4.091   7.192   8.708
  295    QB   ARG  28           QB       ARG  28  -6.294   1.574  11.944
  296    QG   ARG  28           QG       ARG  28  -6.656   3.904  12.324
  297    QD   ARG  28           QD       ARG  28  -4.693   3.684  10.808
  298    QH1  ARG  28           QH1      ARG  28  -6.753   6.752   9.528
  299    QH2  ARG  28           QH2      ARG  28  -3.625   6.775   9.316
  300    H    ASP  29           HN       ASP  29  -6.232   0.279  15.442
  301    HA   ASP  29           HA       ASP  29  -4.568  -2.067  15.124
  302   1HB   ASP  29          2HB       ASP  29  -7.184  -1.704  16.631
  303   2HB   ASP  29          3HB       ASP  29  -6.043  -3.016  16.861
  304    QB   ASP  29           QB       ASP  29  -6.614  -2.360  16.746
  305    H    ASP  30           HN       ASP  30  -5.278  -1.882  12.752
  306    HA   ASP  30           HA       ASP  30  -6.999  -4.121  12.154
  307   1HB   ASP  30          2HB       ASP  30  -8.845  -2.684  12.364
  308   2HB   ASP  30          3HB       ASP  30  -7.956  -1.286  11.776
  309    QB   ASP  30           QB       ASP  30  -8.400  -1.985  12.070
  310    H    PHE  31           HN       PHE  31  -5.408  -1.212  10.969
  311    HA   PHE  31           HA       PHE  31  -5.098  -2.100   8.254
  312   1HB   PHE  31          2HB       PHE  31  -4.905   0.274   9.293
  313   2HB   PHE  31          3HB       PHE  31  -3.248  -0.173   9.665
  314    HD1  PHE  31          1HD       PHE  31  -1.696  -0.808   7.776
  315    HD2  PHE  31          2HD       PHE  31  -5.562   0.820   7.039
  316    HE1  PHE  31          1HE       PHE  31  -1.035  -0.248   5.475
  317    HE2  PHE  31          2HE       PHE  31  -4.899   1.353   4.743
  318    HZ   PHE  31           HZ       PHE  31  -2.637   0.801   3.947
  319    QB   PHE  31           QB       PHE  31  -4.076   0.050   9.479
  320    QR   PHE  31           QR       PHE  31  -3.298   0.279   6.258
  321    H    GLN  32           HN       GLN  32  -4.152  -4.071   7.941
  322    HA   GLN  32           HA       GLN  32  -1.727  -4.787   9.428
  323   1HB   GLN  32          2HB       GLN  32  -3.364  -6.362   7.447
  324   2HB   GLN  32          3HB       GLN  32  -1.975  -7.003   8.316
  325   1HG   GLN  32          2HG       GLN  32  -3.141  -6.673  10.462
  326   2HG   GLN  32          3HG       GLN  32  -4.495  -5.919   9.637
  327   1HE2  GLN  32          2HE2      GLN  32  -4.484  -9.903   9.975
  328   2HE2  GLN  32          1HE2      GLN  32  -3.499  -8.871  10.896
  329    QB   GLN  32           QB       GLN  32  -2.670  -6.683   7.881
  330    QG   GLN  32           QG       GLN  32  -3.818  -6.296  10.050
  331    QE2  GLN  32           QE2      GLN  32  -3.992  -9.387  10.435
  332    OH   TYR  33           OH       TYR  33   4.964  -2.429   6.567
  333    H    TYR  33           HN       TYR  33  -2.754  -4.700   6.265
  334    HA   TYR  33           HA       TYR  33  -1.745  -4.389   4.149
  335   1HB   TYR  33          2HB       TYR  33  -0.546  -2.489   3.945
  336   2HB   TYR  33          3HB       TYR  33  -1.068  -2.285   5.603
  337    HD1  TYR  33           HD2      TYR  33   1.780  -3.484   3.531
  338    HD2  TYR  33           HD1      TYR  33   0.532  -2.123   7.364
  339    HE1  TYR  33           HE2      TYR  33   4.120  -3.231   4.213
  340    HE2  TYR  33           HE1      TYR  33   2.865  -1.876   8.041
  341    HH   TYR  33           HH       TYR  33   4.969  -2.375   7.545
  342    QB   TYR  33           QB       TYR  33  -0.807  -2.387   4.774
  343    QR   TYR  33           QR       TYR  33   2.324  -2.678   5.787
  344    H    GLN  34           HN       GLN  34  -0.191  -5.125   2.729
  345    HA   GLN  34           HA       GLN  34   2.027  -6.804   3.805
  346   1HB   GLN  34          2HB       GLN  34   0.254  -8.395   3.517
  347   2HB   GLN  34          3HB       GLN  34  -0.258  -7.667   2.007
  348   1HG   GLN  34          2HG       GLN  34   0.862  -9.680   1.399
  349   2HG   GLN  34          3HG       GLN  34   2.008  -8.403   1.032
  350   1HE2  GLN  34          2HE2      GLN  34   4.410 -10.045   3.008
  351   2HE2  GLN  34          1HE2      GLN  34   4.055  -9.192   1.576
  352    QB   GLN  34           QB       GLN  34  -0.002  -8.031   2.762
  353    QG   GLN  34           QG       GLN  34   1.435  -9.042   1.216
  354    QE2  GLN  34           QE2      GLN  34   4.233  -9.618   2.292
  355    OH   TYR  35           OH       TYR  35   8.733  -3.421  -3.297
  356    H    TYR  35           HN       TYR  35   3.803  -6.978   2.441
  357    HA   TYR  35           HA       TYR  35   3.777  -5.133   0.093
  358   1HB   TYR  35          2HB       TYR  35   5.588  -4.833   1.832
  359   2HB   TYR  35          3HB       TYR  35   6.167  -6.450   1.450
  360    HD1  TYR  35           HD1      TYR  35   6.913  -6.918  -1.002
  361    HD2  TYR  35           HD2      TYR  35   6.269  -2.994   0.476
  362    HE1  TYR  35           HE1      TYR  35   8.215  -5.995  -2.873
  363    HE2  TYR  35           HE2      TYR  35   7.546  -2.069  -1.392
  364    HH   TYR  35           HH       TYR  35   9.660  -3.696  -3.216
  365    QB   TYR  35           QB       TYR  35   5.878  -5.641   1.641
  366    QR   TYR  35           QR       TYR  35   7.236  -4.494  -1.198
  367    H    VAL  36           HN       VAL  36   4.052  -5.888  -1.910
  368    HA   VAL  36           HA       VAL  36   4.635  -8.791  -2.272
  369    HB   VAL  36           HB       VAL  36   2.375  -7.054  -3.168
  370   1HG1  VAL  36          1HG1      VAL  36   3.603  -9.138  -5.037
  371   2HG1  VAL  36          2HG1      VAL  36   2.048  -8.350  -5.275
  372   3HG1  VAL  36          3HG1      VAL  36   3.535  -7.409  -5.346
  373   1HG2  VAL  36          2HG2      VAL  36   2.762 -10.051  -2.820
  374   2HG2  VAL  36          3HG2      VAL  36   2.102  -8.945  -1.622
  375   3HG2  VAL  36          1HG2      VAL  36   1.223  -9.252  -3.113
  376    QG1  VAL  36           QG1      VAL  36   3.062  -8.299  -5.220
  377    QG2  VAL  36           QG2      VAL  36   2.029  -9.416  -2.518
  378    QQG  VAL  36           QQG      VAL  36   2.545  -8.857  -3.869
  379    H    ASP  37           HN       ASP  37   5.955  -9.264  -4.025
  380    HA   ASP  37           HA       ASP  37   7.439  -6.929  -5.215
  381   1HB   ASP  37          2HB       ASP  37   8.931  -8.061  -3.772
  382   2HB   ASP  37          3HB       ASP  37   8.320  -9.644  -4.234
  383    QB   ASP  37           QB       ASP  37   8.626  -8.852  -4.003
  384    H    ILE  38           HN       ILE  38   7.049  -6.698  -7.303
  385    HA   ILE  38           HA       ILE  38   5.752  -8.627  -8.943
  386    HB   ILE  38           HB       ILE  38   6.397  -7.245 -10.853
  387   1HG1  ILE  38          2HG1      ILE  38   8.209  -5.782  -8.924
  388   2HG1  ILE  38          3HG1      ILE  38   8.778  -6.998 -10.059
  389   1HG2  ILE  38          1HG2      ILE  38   4.625  -6.374  -9.317
  390   2HG2  ILE  38          2HG2      ILE  38   5.856  -5.524  -8.387
  391   3HG2  ILE  38          3HG2      ILE  38   5.533  -5.063 -10.057
  392   1HD1  ILE  38          2HD1      ILE  38   7.828  -5.644 -11.940
  393   2HD1  ILE  38          3HD1      ILE  38   7.373  -4.397 -10.778
  394   3HD1  ILE  38          1HD1      ILE  38   9.070  -4.765 -11.051
  395    QG1  ILE  38           QG1      ILE  38   8.493  -6.390  -9.492
  396    QG2  ILE  38           QG2      ILE  38   5.338  -5.654  -9.253
  397    QD1  ILE  38           QD1      ILE  38   8.090  -4.935 -11.256
  398    NH1  ARG  39           NH1      ARG  39  15.344 -11.342  -6.131
  399    NH2  ARG  39           NH2      ARG  39  15.501  -9.057  -5.989
  400    H    ARG  39           HN       ARG  39   9.052  -8.507  -7.940
  401    HA   ARG  39           HA       ARG  39  10.045 -10.159 -10.162
  402   1HB   ARG  39          2HB       ARG  39  11.505  -8.434  -9.328
  403   2HB   ARG  39          3HB       ARG  39  11.321  -8.978  -7.675
  404   1HG   ARG  39          2HG       ARG  39  12.425 -10.911  -9.661
  405   2HG   ARG  39          3HG       ARG  39  13.434  -9.577  -9.144
  406   1HD   ARG  39          2HD       ARG  39  12.025 -11.356  -7.131
  407   2HD   ARG  39          3HD       ARG  39  13.599 -11.766  -7.783
  408    HE   ARG  39           HE       ARG  39  13.033  -9.287  -6.174
  409   1HH1  ARG  39          2HH1      ARG  39  14.777 -12.147  -6.308
  410   2HH1  ARG  39          1HH1      ARG  39  16.308 -11.467  -5.868
  411   1HH2  ARG  39          2HH2      ARG  39  15.044  -8.164  -6.019
  412   2HH2  ARG  39          1HH2      ARG  39  16.472  -9.109  -5.766
  413    QB   ARG  39           QB       ARG  39  11.413  -8.706  -8.501
  414    QG   ARG  39           QG       ARG  39  12.930 -10.244  -9.403
  415    QD   ARG  39           QD       ARG  39  12.812 -11.561  -7.457
  416    QH1  ARG  39           QH1      ARG  39  15.542 -11.807  -6.088
  417    QH2  ARG  39           QH2      ARG  39  15.758  -8.637  -5.893
  418    H    ALA  40           HN       ALA  40   8.493 -10.681  -7.229
  419    HA   ALA  40           HA       ALA  40   9.697 -13.378  -6.840
  420   1HB   ALA  40          2HB       ALA  40   7.660 -11.842  -5.173
  421   2HB   ALA  40          3HB       ALA  40   8.384 -13.386  -4.734
  422   3HB   ALA  40          1HB       ALA  40   9.384 -11.940  -4.827
  423    QB   ALA  40           QB       ALA  40   8.476 -12.389  -4.911
  424    H    GLU  41           HN       GLU  41   6.706 -11.670  -7.468
  425    HA   GLU  41           HA       GLU  41   5.376 -14.248  -8.206
  426   1HB   GLU  41          2HB       GLU  41   4.277 -11.475  -7.651
  427   2HB   GLU  41          3HB       GLU  41   3.281 -12.840  -8.157
  428   1HG   GLU  41          2HG       GLU  41   3.860 -14.095  -6.172
  429   2HG   GLU  41          3HG       GLU  41   5.099 -12.927  -5.720
  430    QB   GLU  41           QB       GLU  41   3.779 -12.158  -7.904
  431    QG   GLU  41           QG       GLU  41   4.479 -13.511  -5.946
  432    H    GLY  42           HN       GLY  42   7.367 -12.819  -9.783
  433   1HA   GLY  42          1HA       GLY  42   7.709 -11.827 -11.923
  434   2HA   GLY  42          2HA       GLY  42   6.920 -13.331 -12.362
  435    QA   GLY  42           QA       GLY  42   7.315 -12.579 -12.143
  436    H    ILE  43           HN       ILE  43   6.045 -10.056 -11.291
  437    HA   ILE  43           HA       ILE  43   3.718 -10.178 -13.198
  438    HB   ILE  43           HB       ILE  43   3.967  -8.200 -10.902
  439   1HG1  ILE  43          2HG1      ILE  43   2.690 -10.964 -10.821
  440   2HG1  ILE  43          3HG1      ILE  43   4.153 -10.496  -9.977
  441   1HG2  ILE  43          2HG2      ILE  43   2.280  -7.758 -12.689
  442   2HG2  ILE  43          3HG2      ILE  43   1.581  -9.351 -12.413
  443   3HG2  ILE  43          1HG2      ILE  43   1.502  -8.121 -11.159
  444   1HD1  ILE  43          2HD1      ILE  43   2.862  -8.778  -8.703
  445   2HD1  ILE  43          3HD1      ILE  43   1.389  -9.335  -9.495
  446   3HD1  ILE  43          1HD1      ILE  43   2.275 -10.412  -8.424
  447    QG1  ILE  43           QG1      ILE  43   3.421 -10.730 -10.399
  448    QG2  ILE  43           QG2      ILE  43   1.788  -8.410 -12.087
  449    QD1  ILE  43           QD1      ILE  43   2.175  -9.508  -8.874
  450    H    THR  44           HN       THR  44   3.385  -8.410 -14.617
  451    HA   THR  44           HA       THR  44   5.514  -6.314 -14.572
  452    HB   THR  44           HB       THR  44   5.514  -6.436 -17.125
  453    HG1  THR  44          1HG       THR  44   4.295  -7.948 -18.027
  454   1HG2  THR  44          2HG2      THR  44   7.216  -7.725 -15.726
  455   2HG2  THR  44          3HG2      THR  44   6.110  -9.093 -15.736
  456   3HG2  THR  44          1HG2      THR  44   6.822  -8.528 -17.242
  457    QG2  THR  44           QG2      THR  44   6.716  -8.449 -16.234
  458    H    LYS  45           HN       LYS  45   4.805  -4.459 -16.130
  459    HA   LYS  45           HA       LYS  45   2.511  -3.224 -15.100
  460   1HB   LYS  45          2HB       LYS  45   4.037  -1.832 -16.278
  461   2HB   LYS  45          3HB       LYS  45   4.022  -2.862 -17.697
  462   1HG   LYS  45          2HG       LYS  45   2.738  -1.049 -18.396
  463   2HG   LYS  45          3HG       LYS  45   1.501  -2.177 -17.902
  464   1HD   LYS  45          2HD       LYS  45   2.578   0.124 -16.225
  465   2HD   LYS  45          3HD       LYS  45   1.052   0.120 -17.087
  466   1HE   LYS  45          2HE       LYS  45   0.628  -2.070 -15.600
  467   2HE   LYS  45          3HE       LYS  45   1.794  -1.291 -14.556
  468   1HZ   LYS  45          1HZ       LYS  45  -0.067   0.650 -15.382
  469   2HZ   LYS  45          2HZ       LYS  45  -0.946  -0.691 -14.844
  470   3HZ   LYS  45          3HZ       LYS  45   0.179   0.027 -13.819
  471    QB   LYS  45           QB       LYS  45   4.029  -2.347 -16.988
  472    QG   LYS  45           QG       LYS  45   2.119  -1.613 -18.149
  473    QD   LYS  45           QD       LYS  45   1.815   0.122 -16.656
  474    QE   LYS  45           QE       LYS  45   1.211  -1.681 -15.078
  475    QZ   LYS  45           QZ       LYS  45  -0.278  -0.004 -14.682
  476    H    GLU  46           HN       GLU  46   2.818  -5.001 -18.143
  477    HA   GLU  46           HA       GLU  46   0.414  -4.845 -19.376
  478   1HB   GLU  46          2HB       GLU  46   1.972  -7.383 -18.755
  479   2HB   GLU  46          3HB       GLU  46   0.707  -7.285 -19.969
  480   1HG   GLU  46          2HG       GLU  46   1.980  -5.934 -21.395
  481   2HG   GLU  46          3HG       GLU  46   2.945  -5.270 -20.085
  482    QB   GLU  46           QB       GLU  46   1.339  -7.334 -19.362
  483    QG   GLU  46           QG       GLU  46   2.462  -5.602 -20.740
  484    H    ASP  47           HN       ASP  47   0.828  -7.501 -17.027
  485    HA   ASP  47           HA       ASP  47  -1.929  -8.138 -16.833
  486   1HB   ASP  47          2HB       ASP  47  -0.152  -9.612 -15.965
  487   2HB   ASP  47          3HB       ASP  47   0.209  -8.442 -14.707
  488    QB   ASP  47           QB       ASP  47   0.029  -9.027 -15.336
  489    H    LEU  48           HN       LEU  48  -0.023  -6.008 -14.707
  490    HA   LEU  48           HA       LEU  48  -2.141  -5.452 -12.896
  491   1HB   LEU  48          2HB       LEU  48   0.160  -3.652 -13.739
  492   2HB   LEU  48          3HB       LEU  48  -0.863  -3.376 -12.334
  493    HG   LEU  48           HG       LEU  48   0.807  -5.878 -12.791
  494   1HD1  LEU  48          3HD1      LEU  48   1.245  -3.505 -10.946
  495   2HD1  LEU  48          1HD1      LEU  48   2.224  -4.966 -10.984
  496   3HD1  LEU  48          2HD1      LEU  48   2.199  -3.889 -12.373
  497   1HD2  LEU  48          2HD2      LEU  48  -0.819  -4.919 -10.403
  498   2HD2  LEU  48          3HD2      LEU  48  -1.184  -6.315 -11.407
  499   3HD2  LEU  48          1HD2      LEU  48   0.245  -6.322 -10.387
  500    QB   LEU  48           QB       LEU  48  -0.352  -3.514 -13.037
  501    QD1  LEU  48           QD1      LEU  48   1.889  -4.120 -11.435
  502    QD2  LEU  48           QD2      LEU  48  -0.586  -5.852 -10.733
  503    QQD  LEU  48           QQD      LEU  48   0.652  -4.986 -11.084
  504    H    GLN  49           HN       GLN  49  -1.160  -3.577 -15.788
  505    HA   GLN  49           HA       GLN  49  -3.054  -1.503 -15.683
  506   1HB   GLN  49          2HB       GLN  49  -2.284  -3.128 -18.141
  507   2HB   GLN  49          3HB       GLN  49  -3.213  -1.640 -18.202
  508   1HG   GLN  49          2HG       GLN  49  -1.283  -0.494 -17.020
  509   2HG   GLN  49          3HG       GLN  49  -0.375  -1.988 -17.240
  510   1HE2  GLN  49          2HE2      GLN  49  -1.321   0.185 -20.589
  511   2HE2  GLN  49          1HE2      GLN  49  -2.278   0.358 -19.197
  512    QB   GLN  49           QB       GLN  49  -2.748  -2.384 -18.171
  513    QG   GLN  49           QG       GLN  49  -0.829  -1.241 -17.130
  514    QE2  GLN  49           QE2      GLN  49  -1.799   0.271 -19.893
  515    H    GLN  50           HN       GLN  50  -3.490  -4.707 -17.085
  516    HA   GLN  50           HA       GLN  50  -6.239  -4.544 -17.722
  517   1HB   GLN  50          2HB       GLN  50  -4.669  -6.990 -16.809
  518   2HB   GLN  50          3HB       GLN  50  -6.200  -7.026 -17.673
  519   1HG   GLN  50          2HG       GLN  50  -5.158  -5.870 -19.597
  520   2HG   GLN  50          3HG       GLN  50  -3.629  -5.781 -18.736
  521   1HE2  GLN  50          2HE2      GLN  50  -2.669  -9.008 -19.752
  522   2HE2  GLN  50          1HE2      GLN  50  -2.222  -7.507 -19.092
  523    QB   GLN  50           QB       GLN  50  -5.435  -7.008 -17.241
  524    QG   GLN  50           QG       GLN  50  -4.394  -5.825 -19.167
  525    QE2  GLN  50           QE2      GLN  50  -2.446  -8.258 -19.422
  526    H    LYS  51           HN       LYS  51  -4.718  -5.598 -14.674
  527    HA   LYS  51           HA       LYS  51  -7.379  -5.948 -13.423
  528   1HB   LYS  51          2HB       LYS  51  -4.661  -6.762 -12.833
  529   2HB   LYS  51          3HB       LYS  51  -5.444  -6.107 -11.414
  530   1HG   LYS  51          2HG       LYS  51  -7.273  -7.632 -11.549
  531   2HG   LYS  51          3HG       LYS  51  -6.816  -8.181 -13.148
  532   1HD   LYS  51          2HD       LYS  51  -5.384  -8.684 -10.510
  533   2HD   LYS  51          3HD       LYS  51  -6.066  -9.881 -11.605
  534   1HE   LYS  51          2HE       LYS  51  -3.562  -8.234 -11.944
  535   2HE   LYS  51          3HE       LYS  51  -3.754  -9.973 -12.076
  536   1HZ   LYS  51          1HZ       LYS  51  -5.461  -8.830 -13.962
  537   2HZ   LYS  51          2HZ       LYS  51  -3.977  -8.013 -14.102
  538   3HZ   LYS  51          3HZ       LYS  51  -4.023  -9.706 -14.241
  539    QB   LYS  51           QB       LYS  51  -5.052  -6.435 -12.123
  540    QG   LYS  51           QG       LYS  51  -7.044  -7.906 -12.349
  541    QD   LYS  51           QD       LYS  51  -5.725  -9.283 -11.057
  542    QE   LYS  51           QE       LYS  51  -3.658  -9.104 -12.010
  543    QZ   LYS  51           QZ       LYS  51  -4.487  -8.850 -14.102
  544    H    ALA  52           HN       ALA  52  -5.829  -3.286 -14.147
  545    HA   ALA  52           HA       ALA  52  -5.953  -1.988 -11.473
  546   1HB   ALA  52          1HB       ALA  52  -4.692  -1.196 -14.115
  547   2HB   ALA  52          2HB       ALA  52  -4.619  -0.212 -12.675
  548   3HB   ALA  52          3HB       ALA  52  -3.857  -1.791 -12.690
  549    QB   ALA  52           QB       ALA  52  -4.389  -1.066 -13.160
  550    H    GLY  53           HN       GLY  53  -6.657  -0.964 -14.794
  551   1HA   GLY  53          1HA       GLY  53  -8.738  -0.036 -15.578
  552   2HA   GLY  53          2HA       GLY  53  -9.274   0.114 -13.913
  553    QA   GLY  53           QA       GLY  53  -9.006   0.039 -14.746
  554    H    LYS  54           HN       LYS  54  -6.127   1.376 -14.601
  555    HA   LYS  54           HA       LYS  54  -7.271   4.148 -14.677
  556   1HB   LYS  54          2HB       LYS  54  -4.907   3.040 -13.138
  557   2HB   LYS  54          3HB       LYS  54  -5.011   4.747 -13.528
  558   1HG   LYS  54          2HG       LYS  54  -7.145   4.934 -12.350
  559   2HG   LYS  54          3HG       LYS  54  -7.167   3.209 -12.035
  560   1HD   LYS  54          2HD       LYS  54  -6.388   4.550 -10.055
  561   2HD   LYS  54          3HD       LYS  54  -5.182   3.400 -10.599
  562   1HE   LYS  54          2HE       LYS  54  -3.979   5.174 -11.809
  563   2HE   LYS  54          3HE       LYS  54  -5.214   6.342 -11.366
  564   1HZ   LYS  54          2HZ       LYS  54  -4.349   5.130  -9.025
  565   2HZ   LYS  54          3HZ       LYS  54  -2.952   5.484  -9.878
  566   3HZ   LYS  54          1HZ       LYS  54  -4.068   6.727  -9.499
  567    QB   LYS  54           QB       LYS  54  -4.959   3.894 -13.333
  568    QG   LYS  54           QG       LYS  54  -7.156   4.072 -12.192
  569    QD   LYS  54           QD       LYS  54  -5.785   3.975 -10.327
  570    QE   LYS  54           QE       LYS  54  -4.597   5.758 -11.587
  571    QZ   LYS  54           QZ       LYS  54  -3.790   5.780  -9.467
  572    HA   PRO  55           HA       PRO  55  -4.402   1.418 -16.336
  573   1HB   PRO  55          2HB       PRO  55  -4.833   0.714 -18.986
  574   2HB   PRO  55          3HB       PRO  55  -5.857   0.200 -17.642
  575   1HG   PRO  55          2HG       PRO  55  -6.359   2.341 -19.693
  576   2HG   PRO  55          3HG       PRO  55  -7.519   1.304 -18.851
  577   1HD   PRO  55          2HD       PRO  55  -6.990   3.988 -18.194
  578   2HD   PRO  55          3HD       PRO  55  -7.754   2.807 -17.110
  579    QB   PRO  55           QB       PRO  55  -5.345   0.457 -18.314
  580    QG   PRO  55           QG       PRO  55  -6.939   1.822 -19.272
  581    QD   PRO  55           QD       PRO  55  -7.372   3.398 -17.652
  582    H    VAL  56           HN       VAL  56  -3.279   3.985 -16.529
  583    HA   VAL  56           HA       VAL  56  -1.164   3.485 -18.575
  584    HB   VAL  56           HB       VAL  56  -2.800   5.344 -19.193
  585   1HG1  VAL  56          2HG1      VAL  56  -3.135   6.234 -16.901
  586   2HG1  VAL  56          3HG1      VAL  56  -1.454   6.754 -16.857
  587   3HG1  VAL  56          1HG1      VAL  56  -2.572   7.489 -17.998
  588   1HG2  VAL  56          1HG2      VAL  56  -0.515   5.208 -20.132
  589   2HG2  VAL  56          2HG2      VAL  56  -1.016   6.880 -19.916
  590   3HG2  VAL  56          3HG2      VAL  56   0.102   6.144 -18.777
  591    QG1  VAL  56           QG1      VAL  56  -2.387   6.826 -17.252
  592    QG2  VAL  56           QG2      VAL  56  -0.476   6.077 -19.608
  593    QQG  VAL  56           QQG      VAL  56  -1.431   6.452 -18.430
  594    H    GLU  57           HN       GLU  57  -1.726   3.137 -15.612
  595    HA   GLU  57           HA       GLU  57   0.334   4.738 -14.292
  596   1HB   GLU  57          2HB       GLU  57  -0.352   2.761 -12.486
  597   2HB   GLU  57          3HB       GLU  57  -1.134   4.322 -12.599
  598   1HG   GLU  57          2HG       GLU  57  -2.818   2.556 -12.547
  599   2HG   GLU  57          3HG       GLU  57  -2.858   3.341 -14.112
  600    QB   GLU  57           QB       GLU  57  -0.743   3.542 -12.542
  601    QG   GLU  57           QG       GLU  57  -2.838   2.949 -13.329
  602    H    THR  58           HN       THR  58   1.869   3.386 -12.810
  603    HA   THR  58           HA       THR  58   2.814   0.917 -14.115
  604    HB   THR  58           HB       THR  58   3.897   2.826 -15.382
  605    HG1  THR  58          1HG       THR  58   5.785   1.728 -15.326
  606   1HG2  THR  58          3HG2      THR  58   4.160   4.413 -13.397
  607   2HG2  THR  58          1HG2      THR  58   5.345   3.301 -12.720
  608   3HG2  THR  58          2HG2      THR  58   5.673   4.115 -14.243
  609    QG2  THR  58           QG2      THR  58   5.060   3.943 -13.453
  610    H    VAL  59           HN       VAL  59   5.376   1.025 -12.792
  611    HA   VAL  59           HA       VAL  59   4.474   0.220 -10.115
  612    HB   VAL  59           HB       VAL  59   7.307   0.353 -11.232
  613   1HG1  VAL  59          2HG1      VAL  59   7.186   0.151  -8.765
  614   2HG1  VAL  59          3HG1      VAL  59   6.141  -1.259  -8.933
  615   3HG1  VAL  59          1HG1      VAL  59   7.803  -1.324  -9.496
  616   1HG2  VAL  59          3HG2      VAL  59   5.350  -1.975 -11.219
  617   2HG2  VAL  59          1HG2      VAL  59   5.892  -1.099 -12.645
  618   3HG2  VAL  59          2HG2      VAL  59   7.037  -2.064 -11.720
  619    QG1  VAL  59           QG1      VAL  59   7.043  -0.811  -9.065
  620    QG2  VAL  59           QG2      VAL  59   6.093  -1.713 -11.861
  621    QQG  VAL  59           QQG      VAL  59   6.568  -1.262 -10.463
  622    HA   PRO  60           HA       PRO  60   4.854   0.176  -8.172
  623   1HB   PRO  60          2HB       PRO  60   4.320   1.201  -5.730
  624   2HB   PRO  60          3HB       PRO  60   5.982   0.996  -6.300
  625   1HG   PRO  60          2HG       PRO  60   4.375   3.519  -6.042
  626   2HG   PRO  60          3HG       PRO  60   6.126   3.302  -5.916
  627   1HD   PRO  60          2HD       PRO  60   4.632   4.176  -8.231
  628   2HD   PRO  60          3HD       PRO  60   6.376   3.863  -8.150
  629    QB   PRO  60           QB       PRO  60   5.151   1.098  -6.015
  630    QG   PRO  60           QG       PRO  60   5.250   3.410  -5.979
  631    QD   PRO  60           QD       PRO  60   5.504   4.020  -8.191
  632    H    GLN  61           HN       GLN  61   2.841  -0.664  -7.560
  633    HA   GLN  61           HA       GLN  61   0.517   1.180  -7.897
  634   1HB   GLN  61          2HB       GLN  61   0.674  -1.723  -8.787
  635   2HB   GLN  61          3HB       GLN  61  -0.704  -0.649  -8.990
  636   1HG   GLN  61          2HG       GLN  61   0.906   0.910 -10.280
  637   2HG   GLN  61          3HG       GLN  61   2.021  -0.454 -10.316
  638   1HE2  GLN  61          2HE2      GLN  61  -1.534  -1.269 -12.149
  639   2HE2  GLN  61          1HE2      GLN  61  -1.530  -0.643 -10.583
  640    QB   GLN  61           QB       GLN  61  -0.015  -1.186  -8.889
  641    QG   GLN  61           QG       GLN  61   1.464   0.228 -10.298
  642    QE2  GLN  61           QE2      GLN  61  -1.532  -0.956 -11.366
  643    H    ILE  62           HN       ILE  62  -1.114   0.955  -6.415
  644    HA   ILE  62           HA       ILE  62  -0.688  -1.103  -4.289
  645    HB   ILE  62           HB       ILE  62  -1.930   1.658  -3.943
  646   1HG1  ILE  62          2HG1      ILE  62   0.189   1.921  -2.419
  647   2HG1  ILE  62          3HG1      ILE  62   0.858   0.633  -3.416
  648   1HG2  ILE  62          2HG2      ILE  62  -1.198  -0.495  -1.932
  649   2HG2  ILE  62          3HG2      ILE  62  -1.784   1.115  -1.521
  650   3HG2  ILE  62          1HG2      ILE  62  -2.829  -0.006  -2.385
  651   1HD1  ILE  62          3HD1      ILE  62  -0.343   3.188  -4.521
  652   2HD1  ILE  62          1HD1      ILE  62   1.381   2.927  -4.276
  653   3HD1  ILE  62          2HD1      ILE  62   0.506   1.947  -5.430
  654    QG1  ILE  62           QG1      ILE  62   0.523   1.277  -2.918
  655    QG2  ILE  62           QG2      ILE  62  -1.937   0.205  -1.946
  656    QD1  ILE  62           QD1      ILE  62   0.515   2.687  -4.742
  657    H    PHE  63           HN       PHE  63  -2.453  -1.992  -3.469
  658    HA   PHE  63           HA       PHE  63  -5.087  -1.574  -4.826
  659   1HB   PHE  63          2HB       PHE  63  -3.529  -4.160  -4.488
  660   2HB   PHE  63          3HB       PHE  63  -5.280  -4.164  -4.670
  661    HD1  PHE  63          2HD       PHE  63  -2.208  -2.753  -6.358
  662    HD2  PHE  63          1HD       PHE  63  -6.171  -4.247  -6.834
  663    HE1  PHE  63          2HE       PHE  63  -2.031  -2.460  -8.792
  664    HE2  PHE  63          1HE       PHE  63  -5.943  -4.056  -9.274
  665    HZ   PHE  63           HZ       PHE  63  -3.901  -3.115 -10.252
  666    QB   PHE  63           QB       PHE  63  -4.404  -4.162  -4.579
  667    QR   PHE  63           QR       PHE  63  -4.088  -3.379  -7.814
  668    H    VAL  64           HN       VAL  64  -6.443  -0.989  -3.147
  669    HA   VAL  64           HA       VAL  64  -5.728  -1.893  -0.413
  670    HB   VAL  64           HB       VAL  64  -7.981  -0.115  -1.431
  671   1HG1  VAL  64          2HG1      VAL  64  -7.048  -0.689   1.411
  672   2HG1  VAL  64          3HG1      VAL  64  -8.239   0.525   0.957
  673   3HG1  VAL  64          1HG1      VAL  64  -8.591  -1.184   0.724
  674   1HG2  VAL  64          1HG2      VAL  64  -5.576   0.692  -1.596
  675   2HG2  VAL  64          2HG2      VAL  64  -6.607   1.692  -0.583
  676   3HG2  VAL  64          3HG2      VAL  64  -5.474   0.559   0.147
  677    QG1  VAL  64           QG1      VAL  64  -7.959  -0.449   1.031
  678    QG2  VAL  64           QG2      VAL  64  -5.886   0.981  -0.677
  679    QQG  VAL  64           QQG      VAL  64  -6.922   0.266   0.177
  680    H    ASP  65           HN       ASP  65  -6.281  -3.925   0.094
  681    HA   ASP  65           HA       ASP  65  -7.466  -5.884   0.347
  682   1HB   ASP  65          2HB       ASP  65  -9.605  -3.760   0.570
  683   2HB   ASP  65          3HB       ASP  65  -9.964  -5.465   0.824
  684    QB   ASP  65           QB       ASP  65  -9.784  -4.612   0.697
  685    H    GLN  66           HN       GLN  66  -9.972  -4.242  -1.569
  686    HA   GLN  66           HA       GLN  66  -9.438  -6.256  -3.697
  687   1HB   GLN  66          2HB       GLN  66 -11.715  -6.832  -3.985
  688   2HB   GLN  66          3HB       GLN  66 -11.447  -6.864  -2.247
  689   1HG   GLN  66          2HG       GLN  66 -12.516  -4.677  -1.991
  690   2HG   GLN  66          3HG       GLN  66 -12.628  -4.498  -3.736
  691   1HE2  GLN  66          2HE2      GLN  66 -14.945  -7.655  -2.850
  692   2HE2  GLN  66          1HE2      GLN  66 -13.253  -7.738  -2.782
  693    QB   GLN  66           QB       GLN  66 -11.581  -6.848  -3.116
  694    QG   GLN  66           QG       GLN  66 -12.572  -4.588  -2.863
  695    QE2  GLN  66           QE2      GLN  66 -14.099  -7.696  -2.816
  696    H    GLN  67           HN       GLN  67  -9.489  -3.069  -3.082
  697    HA   GLN  67           HA       GLN  67 -10.550  -2.274  -5.738
  698   1HB   GLN  67          2HB       GLN  67  -9.989  -0.916  -3.122
  699   2HB   GLN  67          3HB       GLN  67  -9.818   0.050  -4.571
  700   1HG   GLN  67          2HG       GLN  67 -12.095   0.223  -3.634
  701   2HG   GLN  67          3HG       GLN  67 -12.120  -0.504  -5.234
  702   1HE2  GLN  67          2HE2      GLN  67 -13.963  -3.188  -3.910
  703   2HE2  GLN  67          1HE2      GLN  67 -13.781  -2.029  -5.141
  704    QB   GLN  67           QB       GLN  67  -9.903  -0.433  -3.846
  705    QG   GLN  67           QG       GLN  67 -12.107  -0.141  -4.434
  706    QE2  GLN  67           QE2      GLN  67 -13.872  -2.608  -4.525
  707    H    HIS  68           HN       HIS  68  -9.266  -0.791  -7.003
  708    HA   HIS  68           HA       HIS  68  -6.345  -1.388  -6.787
  709   1HB   HIS  68          2HB       HIS  68  -7.163  -2.091  -8.920
  710   2HB   HIS  68          3HB       HIS  68  -8.091  -0.625  -9.130
  711    HD1  HIS  68           HD1      HIS  68  -6.939   0.491 -10.982
  712    HD2  HIS  68           HD2      HIS  68  -4.201  -0.774  -8.177
  713    HE1  HIS  68           HE1      HIS  68  -4.713   1.560 -11.575
  714    QB   HIS  68           QB       HIS  68  -7.627  -1.358  -9.025
  715    H    ILE  69           HN       ILE  69  -5.027   0.306  -6.384
  716    HA   ILE  69           HA       ILE  69  -6.241   3.041  -6.469
  717    HB   ILE  69           HB       ILE  69  -3.740   2.405  -4.896
  718   1HG1  ILE  69          2HG1      ILE  69  -5.365   0.651  -4.204
  719   2HG1  ILE  69          3HG1      ILE  69  -5.104   1.838  -2.941
  720   1HG2  ILE  69          1HG2      ILE  69  -6.103   4.273  -4.530
  721   2HG2  ILE  69          2HG2      ILE  69  -4.728   4.167  -3.447
  722   3HG2  ILE  69          3HG2      ILE  69  -4.506   4.723  -5.099
  723   1HD1  ILE  69          3HD1      ILE  69  -7.461   1.914  -4.870
  724   2HD1  ILE  69          1HD1      ILE  69  -7.535   1.282  -3.232
  725   3HD1  ILE  69          2HD1      ILE  69  -7.204   2.986  -3.498
  726    QG1  ILE  69           QG1      ILE  69  -5.234   1.244  -3.573
  727    QG2  ILE  69           QG2      ILE  69  -5.112   4.388  -4.358
  728    QD1  ILE  69           QD1      ILE  69  -7.400   2.061  -3.866
  729    H    GLY  70           HN       GLY  70  -3.167   1.301  -6.825
  730   1HA   GLY  70          1HA       GLY  70  -1.513   1.456  -8.482
  731   2HA   GLY  70          2HA       GLY  70  -2.686   2.304  -9.447
  732    QA   GLY  70           QA       GLY  70  -2.100   1.880  -8.964
  733    H    GLY  71           HN       GLY  71  -0.004   2.773  -7.176
  734   1HA   GLY  71          1HA       GLY  71   1.477   4.659  -7.944
  735   2HA   GLY  71          2HA       GLY  71   0.027   5.632  -8.080
  736    QA   GLY  71           QA       GLY  71   0.752   5.146  -8.012
  737    OH   TYR  72           OH       TYR  72   4.615   8.709   0.945
  738    H    TYR  72           HN       TYR  72   2.680   5.514  -6.370
  739    HA   TYR  72           HA       TYR  72   1.796   5.540  -3.650
  740   1HB   TYR  72          2HB       TYR  72   4.198   5.333  -4.202
  741   2HB   TYR  72          3HB       TYR  72   4.183   6.942  -4.924
  742    HD1  TYR  72           HD2      TYR  72   2.669   5.634  -1.751
  743    HD2  TYR  72           HD1      TYR  72   5.393   8.389  -3.513
  744    HE1  TYR  72           HE2      TYR  72   3.040   6.663   0.437
  745    HE2  TYR  72           HE1      TYR  72   5.783   9.399  -1.310
  746    HH   TYR  72           HH       TYR  72   4.979   8.048   1.550
  747    QB   TYR  72           QB       TYR  72   4.190   6.138  -4.563
  748    QR   TYR  72           QR       TYR  72   4.222   7.521  -1.534
  749    H    THR  73           HN       THR  73   2.618   8.332  -5.778
  750    HA   THR  73           HA       THR  73   1.491  10.289  -4.049
  751    HB   THR  73           HB       THR  73   1.335  11.415  -6.613
  752    HG1  THR  73          1HG       THR  73   2.347  10.030  -7.867
  753   1HG2  THR  73          1HG2      THR  73   2.787  12.231  -4.679
  754   2HG2  THR  73          2HG2      THR  73   3.909  10.921  -5.039
  755   3HG2  THR  73          3HG2      THR  73   3.647  12.203  -6.219
  756    QG2  THR  73           QG2      THR  73   3.447  11.785  -5.312
  757    H    ASP  74           HN       ASP  74  -0.269   7.909  -5.081
  758    HA   ASP  74           HA       ASP  74  -2.737   9.520  -5.622
  759   1HB   ASP  74          2HB       ASP  74  -2.028   7.980  -7.490
  760   2HB   ASP  74          3HB       ASP  74  -2.105   6.627  -6.377
  761    QB   ASP  74           QB       ASP  74  -2.067   7.303  -6.933
  762    H    PHE  75           HN       PHE  75  -1.714   6.336  -4.493
  763    HA   PHE  75           HA       PHE  75  -3.816   5.879  -2.652
  764   1HB   PHE  75          2HB       PHE  75  -2.375   4.064  -3.361
  765   2HB   PHE  75          3HB       PHE  75  -0.949   4.882  -2.744
  766    HD1  PHE  75          2HD       PHE  75  -4.252   3.528  -1.580
  767    HD2  PHE  75          1HD       PHE  75  -0.211   4.413  -0.567
  768    HE1  PHE  75          2HE       PHE  75  -4.531   2.390   0.574
  769    HE2  PHE  75          1HE       PHE  75  -0.502   3.287   1.591
  770    HZ   PHE  75           HZ       PHE  75  -2.662   2.278   2.162
  771    QB   PHE  75           QB       PHE  75  -1.662   4.473  -3.053
  772    QR   PHE  75           QR       PHE  75  -2.374   3.405   0.005
  773    H    ALA  76           HN       ALA  76  -0.716   7.479  -2.328
  774    HA   ALA  76           HA       ALA  76  -0.617   7.902   0.457
  775   1HB   ALA  76          3HB       ALA  76   0.305   9.745  -1.790
  776   2HB   ALA  76          1HB       ALA  76   0.840   9.847  -0.118
  777   3HB   ALA  76          2HB       ALA  76   1.248   8.441  -1.089
  778    QB   ALA  76           QB       ALA  76   0.798   9.344  -0.999
  779    H    ALA  77           HN       ALA  77  -1.660  10.325  -1.948
  780    HA   ALA  77           HA       ALA  77  -2.875  12.105  -0.119
  781   1HB   ALA  77          3HB       ALA  77  -3.781  11.452  -2.956
  782   2HB   ALA  77          1HB       ALA  77  -4.251  12.882  -2.042
  783   3HB   ALA  77          2HB       ALA  77  -2.573  12.656  -2.517
  784    QB   ALA  77           QB       ALA  77  -3.535  12.330  -2.505
  785    CH2  TRP  78           CH2      TRP  78  -8.004   3.549   0.940
  786    H    TRP  78           HN       TRP  78  -4.320   9.516  -1.989
  787    HA   TRP  78           HA       TRP  78  -6.955   9.503  -1.172
  788   1HB   TRP  78          2HB       TRP  78  -5.916   7.964  -2.780
  789   2HB   TRP  78          3HB       TRP  78  -5.039   7.185  -1.513
  790    HD1  TRP  78           HD1      TRP  78  -8.458   7.241  -3.155
  791    HE1  TRP  78           HE1      TRP  78  -9.917   5.485  -2.172
  792    HE3  TRP  78           HE3      TRP  78  -5.360   5.591   0.384
  793    HZ2  TRP  78           HZ2      TRP  78  -9.842   3.569  -0.153
  794    HZ3  TRP  78           HZ3      TRP  78  -6.089   3.746   1.859
  795    HH2  TRP  78           HH2      TRP  78  -8.311   2.743   1.590
  796    QB   TRP  78           QB       TRP  78  -5.477   7.574  -2.147
  797    H    VAL  79           HN       VAL  79  -4.500   7.492   0.498
  798    HA   VAL  79           HA       VAL  79  -5.942   6.702   2.731
  799    HB   VAL  79           HB       VAL  79  -3.038   7.595   2.535
  800   1HG1  VAL  79          3HG1      VAL  79  -3.807   7.827   4.894
  801   2HG1  VAL  79          1HG1      VAL  79  -4.406   6.174   4.856
  802   3HG1  VAL  79          2HG1      VAL  79  -2.685   6.497   4.709
  803   1HG2  VAL  79          2HG2      VAL  79  -4.372   4.870   2.697
  804   2HG2  VAL  79          3HG2      VAL  79  -3.587   5.556   1.280
  805   3HG2  VAL  79          1HG2      VAL  79  -2.634   5.136   2.694
  806    QG1  VAL  79           QG1      VAL  79  -3.633   6.832   4.819
  807    QG2  VAL  79           QG2      VAL  79  -3.531   5.187   2.224
  808    QQG  VAL  79           QQG      VAL  79  -3.582   6.010   3.522
  809    H    LYS  80           HN       LYS  80  -4.051   9.621   2.342
  810    HA   LYS  80           HA       LYS  80  -4.533  10.911   4.752
  811   1HB   LYS  80          2HB       LYS  80  -3.281  11.553   2.448
  812   2HB   LYS  80          3HB       LYS  80  -4.692  12.567   2.281
  813   1HG   LYS  80          2HG       LYS  80  -2.912  12.523   4.742
  814   2HG   LYS  80          3HG       LYS  80  -2.704  13.670   3.439
  815   1HD   LYS  80          2HD       LYS  80  -5.049  13.403   5.351
  816   2HD   LYS  80          3HD       LYS  80  -3.999  14.795   5.128
  817   1HE   LYS  80          2HE       LYS  80  -6.220  13.794   3.350
  818   2HE   LYS  80          3HE       LYS  80  -5.955  15.411   3.967
  819   1HZ   LYS  80          1HZ       LYS  80  -3.733  14.791   2.406
  820   2HZ   LYS  80          2HZ       LYS  80  -5.108  14.297   1.529
  821   3HZ   LYS  80          3HZ       LYS  80  -4.984  15.887   2.052
  822    QB   LYS  80           QB       LYS  80  -3.986  12.060   2.365
  823    QG   LYS  80           QG       LYS  80  -2.808  13.097   4.090
  824    QD   LYS  80           QD       LYS  80  -4.524  14.099   5.239
  825    QE   LYS  80           QE       LYS  80  -6.088  14.602   3.658
  826    QZ   LYS  80           QZ       LYS  80  -4.608  14.991   1.995
  827    H    GLU  81           HN       GLU  81  -6.640  10.867   1.900
  828    HA   GLU  81           HA       GLU  81  -8.810  12.106   3.557
  829   1HB   GLU  81          2HB       GLU  81  -8.279  11.914   0.589
  830   2HB   GLU  81          3HB       GLU  81  -9.919  12.147   1.135
  831   1HG   GLU  81          2HG       GLU  81  -9.339  14.357   1.010
  832   2HG   GLU  81          3HG       GLU  81  -8.717  14.058   2.622
  833    QB   GLU  81           QB       GLU  81  -9.099  12.030   0.862
  834    QG   GLU  81           QG       GLU  81  -9.028  14.207   1.816
  835    H    ASN  82           HN       ASN  82  -8.036   9.165   3.563
  836    HA   ASN  82           HA       ASN  82 -10.790   8.277   3.038
  837   1HB   ASN  82          2HB       ASN  82  -8.250   6.967   2.129
  838   2HB   ASN  82          3HB       ASN  82  -9.649   5.956   2.463
  839   1HD2  ASN  82          2HD2      ASN  82  -9.843   8.638  -0.629
  840   2HD2  ASN  82          1HD2      ASN  82  -8.756   8.900   0.633
  841    QB   ASN  82           QB       ASN  82  -8.950   6.462   2.296
  842    QD2  ASN  82           QD2      ASN  82  -9.299   8.769   0.002
  843    H    LEU  83           HN       LEU  83  -7.942   7.554   4.905
  844    HA   LEU  83           HA       LEU  83  -9.749   5.990   6.719
  845   1HB   LEU  83          2HB       LEU  83  -6.730   6.211   6.884
  846   2HB   LEU  83          3HB       LEU  83  -7.752   5.004   7.632
  847    HG   LEU  83           HG       LEU  83  -7.313   5.373   4.645
  848   1HD1  LEU  83          1HD1      LEU  83  -6.432   3.188   6.558
  849   2HD1  LEU  83          2HD1      LEU  83  -6.182   3.183   4.816
  850   3HD1  LEU  83          3HD1      LEU  83  -5.381   4.390   5.816
  851   1HD2  LEU  83          3HD2      LEU  83  -8.965   3.335   6.184
  852   2HD2  LEU  83          1HD2      LEU  83  -9.603   4.594   5.133
  853   3HD2  LEU  83          2HD2      LEU  83  -8.659   3.279   4.452
  854    QB   LEU  83           QB       LEU  83  -7.241   5.607   7.258
  855    QD1  LEU  83           QD1      LEU  83  -5.998   3.587   5.730
  856    QD2  LEU  83           QD2      LEU  83  -9.076   3.736   5.256
  857    QQD  LEU  83           QQD      LEU  83  -7.537   3.662   5.493
  858    H    ASP  84           HN       ASP  84  -9.828   8.772   6.278
  859    HA   ASP  84           HA       ASP  84  -9.847  10.820   7.318
  860   1HB   ASP  84          2HB       ASP  84  -9.718   9.184   9.864
  861   2HB   ASP  84          3HB       ASP  84 -10.454  10.765   9.636
  862    QB   ASP  84           QB       ASP  84 -10.086   9.974   9.750
  863    H    ALA  85           HN       ALA  85  -7.434   9.543   6.500
  864    HA   ALA  85           HA       ALA  85  -5.219  10.651   6.563
  865   1HB   ALA  85          3HB       ALA  85  -5.780  12.110   8.495
  866   2HB   ALA  85          1HB       ALA  85  -5.538  10.737   9.571
  867   3HB   ALA  85          2HB       ALA  85  -4.187  11.379   8.648
  868    QB   ALA  85           QB       ALA  85  -5.168  11.409   8.905
   
  Start of MODEL           9
 Raw file had 868 H/Q atoms
  Start of MODEL    9
    1    H    MET   1           HN       MET   1  -9.745  -3.862   5.697
    2    HA   MET   1           HA       MET   1  -8.668  -2.224   4.548
    3   1HB   MET   1          2HB       MET   1  -9.544  -0.849   6.553
    4   2HB   MET   1          3HB       MET   1  -7.917  -0.967   7.203
    5   1HG   MET   1          2HG       MET   1  -7.819   1.026   6.025
    6   2HG   MET   1          3HG       MET   1  -7.160  -0.105   4.876
    7   1HE   MET   1          1HE       MET   1  -9.840   1.712   6.270
    8   2HE   MET   1          2HE       MET   1 -10.240   2.784   4.930
    9   3HE   MET   1          3HE       MET   1 -11.264   1.391   5.293
   10    QB   MET   1           QB       MET   1  -8.731  -0.908   6.878
   11    QG   MET   1           QG       MET   1  -7.490   0.460   5.451
   12    QE   MET   1           QE       MET   1 -10.448   1.962   5.497
   13    H    GLN   2           HN       GLN   2  -7.122  -4.289   4.406
   14    HA   GLN   2           HA       GLN   2  -4.520  -3.681   5.691
   15   1HB   GLN   2          2HB       GLN   2  -3.827  -5.923   4.681
   16   2HB   GLN   2          3HB       GLN   2  -5.032  -5.982   5.959
   17   1HG   GLN   2          2HG       GLN   2  -6.828  -6.173   4.353
   18   2HG   GLN   2          3HG       GLN   2  -5.713  -5.910   3.014
   19   1HE2  GLN   2          2HE2      GLN   2  -5.126  -9.355   2.769
   20   2HE2  GLN   2          1HE2      GLN   2  -5.423  -7.883   1.987
   21    QB   GLN   2           QB       GLN   2  -4.429  -5.953   5.320
   22    QG   GLN   2           QG       GLN   2  -6.271  -6.042   3.683
   23    QE2  GLN   2           QE2      GLN   2  -5.274  -8.619   2.378
   24    H    THR   3           HN       THR   3  -2.535  -4.053   4.061
   25    HA   THR   3           HA       THR   3  -3.318  -2.863   1.424
   26    HB   THR   3           HB       THR   3  -0.911  -2.043   3.120
   27    HG1  THR   3          1HG       THR   3  -2.976  -1.394   3.864
   28   1HG2  THR   3          2HG2      THR   3  -0.606  -1.743   0.601
   29   2HG2  THR   3          3HG2      THR   3  -2.093  -0.802   0.594
   30   3HG2  THR   3          1HG2      THR   3  -0.689  -0.221   1.478
   31    QG2  THR   3           QG2      THR   3  -1.129  -0.922   0.891
   32    H    VAL   4           HN       VAL   4  -2.202  -3.463  -0.333
   33    HA   VAL   4           HA       VAL   4  -0.080  -5.582  -0.023
   34    HB   VAL   4           HB       VAL   4  -1.831  -5.393  -2.459
   35   1HG1  VAL   4          3HG1      VAL   4  -0.455  -7.682  -1.003
   36   2HG1  VAL   4          1HG1      VAL   4  -1.349  -7.841  -2.514
   37   3HG1  VAL   4          2HG1      VAL   4   0.130  -6.881  -2.461
   38   1HG2  VAL   4          1HG2      VAL   4  -2.650  -6.818   0.100
   39   2HG2  VAL   4          2HG2      VAL   4  -3.478  -5.445  -0.630
   40   3HG2  VAL   4          3HG2      VAL   4  -3.452  -6.998  -1.456
   41    QG1  VAL   4           QG1      VAL   4  -0.558  -7.468  -1.993
   42    QG2  VAL   4           QG2      VAL   4  -3.193  -6.420  -0.662
   43    QQG  VAL   4           QQG      VAL   4  -1.876  -6.944  -1.327
   44    H    ILE   5           HN       ILE   5   1.776  -4.725  -0.642
   45    HA   ILE   5           HA       ILE   5   1.733  -2.457  -2.578
   46    HB   ILE   5           HB       ILE   5   4.129  -3.499  -1.020
   47   1HG1  ILE   5          2HG1      ILE   5   2.168  -1.302  -0.232
   48   2HG1  ILE   5          3HG1      ILE   5   2.274  -2.877   0.538
   49   1HG2  ILE   5          1HG2      ILE   5   4.596  -2.010  -2.957
   50   2HG2  ILE   5          2HG2      ILE   5   3.501  -0.803  -2.301
   51   3HG2  ILE   5          3HG2      ILE   5   4.985  -1.204  -1.449
   52   1HD1  ILE   5          1HD1      ILE   5   4.530  -0.854   0.421
   53   2HD1  ILE   5          2HD1      ILE   5   3.507  -1.167   1.817
   54   3HD1  ILE   5          3HD1      ILE   5   4.584  -2.425   1.215
   55    QG1  ILE   5           QG1      ILE   5   2.221  -2.090   0.153
   56    QG2  ILE   5           QG2      ILE   5   4.361  -1.339  -2.236
   57    QD1  ILE   5           QD1      ILE   5   4.207  -1.482   1.151
   58    H    PHE   6           HN       PHE   6   1.977  -3.033  -4.647
   59    HA   PHE   6           HA       PHE   6   3.379  -5.568  -5.327
   60   1HB   PHE   6          2HB       PHE   6   1.442  -3.755  -6.813
   61   2HB   PHE   6          3HB       PHE   6   2.389  -4.972  -7.658
   62    HD1  PHE   6          2HD       PHE   6  -0.128  -4.538  -4.924
   63    HD2  PHE   6          1HD       PHE   6   1.743  -7.281  -7.607
   64    HE1  PHE   6          2HE       PHE   6  -1.778  -6.259  -4.341
   65    HE2  PHE   6          1HE       PHE   6   0.095  -8.985  -7.007
   66    HZ   PHE   6           HZ       PHE   6  -1.659  -8.486  -5.371
   67    QB   PHE   6           QB       PHE   6   1.915  -4.364  -7.235
   68    QR   PHE   6           QR       PHE   6  -0.017  -6.766  -5.970
   69    H    GLY   7           HN       GLY   7   5.413  -4.536  -4.783
   70   1HA   GLY   7          1HA       GLY   7   6.259  -2.597  -6.900
   71   2HA   GLY   7          2HA       GLY   7   6.738  -2.359  -5.229
   72    QA   GLY   7           QA       GLY   7   6.498  -2.478  -6.065
   73    NH1  ARG   8           NH1      ARG   8  14.167  -2.014  -7.684
   74    NH2  ARG   8           NH2      ARG   8  14.127  -2.286  -9.969
   75    H    ARG   8           HN       ARG   8   8.578  -3.206  -4.621
   76    HA   ARG   8           HA       ARG   8   9.796  -5.598  -5.421
   77   1HB   ARG   8          2HB       ARG   8  11.622  -4.624  -6.912
   78   2HB   ARG   8          3HB       ARG   8  10.045  -4.767  -7.674
   79   1HG   ARG   8          2HG       ARG   8   9.601  -2.347  -7.165
   80   2HG   ARG   8          3HG       ARG   8  11.208  -2.217  -6.456
   81   1HD   ARG   8          2HD       ARG   8  10.547  -2.821  -9.350
   82   2HD   ARG   8          3HD       ARG   8  11.362  -1.392  -8.706
   83    HE   ARG   8           HE       ARG   8  12.549  -4.148  -8.625
   84   1HH1  ARG   8          2HH1      ARG   8  13.736  -2.179  -6.782
   85   2HH1  ARG   8          1HH1      ARG   8  15.008  -1.479  -7.727
   86   1HH2  ARG   8          2HH2      ARG   8  13.653  -2.641 -10.777
   87   2HH2  ARG   8          1HH2      ARG   8  14.979  -1.772 -10.083
   88    QB   ARG   8           QB       ARG   8  10.834  -4.695  -7.293
   89    QG   ARG   8           QG       ARG   8  10.405  -2.282  -6.810
   90    QD   ARG   8           QD       ARG   8  10.955  -2.106  -9.028
   91    QH1  ARG   8           QH1      ARG   8  14.372  -1.829  -7.255
   92    QH2  ARG   8           QH2      ARG   8  14.316  -2.207 -10.430
   93    H    SER   9           HN       SER   9  10.400  -2.192  -4.844
   94    HA   SER   9           HA       SER   9  11.263  -1.185  -2.855
   95   1HB   SER   9          2HB       SER   9  12.810  -3.755  -2.329
   96   2HB   SER   9          3HB       SER   9  12.557  -2.399  -1.212
   97    HG   SER   9           HG       SER   9  10.844  -4.400  -2.017
   98    QB   SER   9           QB       SER   9  12.684  -3.077  -1.771
   99    H    GLY  10           HN       GLY  10  13.417  -0.316  -2.315
  100   1HA   GLY  10          1HA       GLY  10  15.757   0.060  -2.847
  101   2HA   GLY  10          2HA       GLY  10  15.533  -0.821  -4.355
  102    QA   GLY  10           QA       GLY  10  15.645  -0.381  -3.601
  103    H    CYS  11           HN       CYS  11  12.917   0.891  -4.384
  104    HA   CYS  11           HA       CYS  11  14.134   3.252  -5.737
  105   1HB   CYS  11          2HB       CYS  11  11.633   3.051  -6.774
  106   2HB   CYS  11          3HB       CYS  11  13.040   2.296  -7.479
  107    QB   CYS  11           QB       CYS  11  12.336   2.673  -7.127
  108    HA   PRO  12           HA       PRO  12  12.170   5.872  -2.771
  109   1HB   PRO  12          2HB       PRO  12  11.301   7.895  -4.565
  110   2HB   PRO  12          3HB       PRO  12  12.839   7.854  -3.698
  111   1HG   PRO  12          2HG       PRO  12  12.256   7.129  -6.546
  112   2HG   PRO  12          3HG       PRO  12  13.756   7.746  -5.837
  113   1HD   PRO  12          2HD       PRO  12  13.408   5.110  -6.571
  114   2HD   PRO  12          3HD       PRO  12  14.505   5.605  -5.264
  115    QB   PRO  12           QB       PRO  12  12.070   7.875  -4.132
  116    QG   PRO  12           QG       PRO  12  13.006   7.438  -6.192
  117    QD   PRO  12           QD       PRO  12  13.957   5.357  -5.917
  118    OH   TYR  13           OH       TYR  13   6.181  11.024  -7.264
  119    H    TYR  13           HN       TYR  13  10.331   5.717  -5.831
  120    HA   TYR  13           HA       TYR  13   7.779   6.080  -4.532
  121   1HB   TYR  13          2HB       TYR  13   8.701   5.411  -7.287
  122   2HB   TYR  13          3HB       TYR  13   7.047   4.961  -6.887
  123    HD1  TYR  13           HD2      TYR  13   9.136   7.912  -5.819
  124    HD2  TYR  13           HD1      TYR  13   5.637   6.575  -7.851
  125    HE1  TYR  13           HE2      TYR  13   8.401  10.226  -6.078
  126    HE2  TYR  13           HE1      TYR  13   4.907   8.900  -8.111
  127    HH   TYR  13           HH       TYR  13   6.861  11.603  -6.915
  128    QB   TYR  13           QB       TYR  13   7.874   5.186  -7.087
  129    QR   TYR  13           QR       TYR  13   7.020   8.403  -6.965
  130    H    CYS  14           HN       CYS  14   9.708   3.374  -4.345
  131    HA   CYS  14           HA       CYS  14   7.272   1.635  -4.123
  132   1HB   CYS  14          2HB       CYS  14   8.697  -0.284  -4.459
  133   2HB   CYS  14          3HB       CYS  14   8.874   0.827  -5.789
  134    QB   CYS  14           QB       CYS  14   8.785   0.272  -5.124
  135    H    VAL  15           HN       VAL  15  10.347   2.498  -2.601
  136    HA   VAL  15           HA       VAL  15   9.765   0.960  -0.204
  137    HB   VAL  15           HB       VAL  15  11.713   3.261  -0.598
  138   1HG1  VAL  15          2HG1      VAL  15  11.532   1.069   1.515
  139   2HG1  VAL  15          3HG1      VAL  15  12.823   2.262   1.394
  140   3HG1  VAL  15          1HG1      VAL  15  11.185   2.773   1.789
  141   1HG2  VAL  15          3HG2      VAL  15  12.066   1.350  -2.142
  142   2HG2  VAL  15          1HG2      VAL  15  13.344   1.428  -0.933
  143   3HG2  VAL  15          2HG2      VAL  15  12.049   0.244  -0.769
  144    QG1  VAL  15           QG1      VAL  15  11.847   2.035   1.566
  145    QG2  VAL  15           QG2      VAL  15  12.487   1.007  -1.281
  146    QQG  VAL  15           QQG      VAL  15  12.167   1.521   0.142
  147    NH1  ARG  16           NH2      ARG  16   5.944   6.892   2.514
  148    NH2  ARG  16           NH1      ARG  16   7.397   8.047   3.808
  149    H    ARG  16           HN       ARG  16   9.126   4.263  -1.325
  150    HA   ARG  16           HA       ARG  16   8.254   5.268   1.247
  151   1HB   ARG  16          2HB       ARG  16   7.929   6.175  -1.608
  152   2HB   ARG  16          3HB       ARG  16   6.975   6.938  -0.359
  153   1HG   ARG  16          2HG       ARG  16   9.999   6.717  -0.288
  154   2HG   ARG  16          3HG       ARG  16   9.122   8.139  -0.830
  155   1HD   ARG  16          2HD       ARG  16   9.251   6.965   1.958
  156   2HD   ARG  16          3HD       ARG  16   9.608   8.610   1.441
  157    HE   ARG  16           HE       ARG  16   7.032   8.733   0.936
  158   1HH1  ARG  16          2HH2      ARG  16   5.597   6.646   1.611
  159   2HH1  ARG  16          1HH2      ARG  16   5.544   6.460   3.334
  160   1HH2  ARG  16          2HH1      ARG  16   8.153   8.685   3.888
  161   2HH2  ARG  16          1HH1      ARG  16   6.984   7.645   4.638
  162    QB   ARG  16           QB       ARG  16   7.452   6.556  -0.983
  163    QG   ARG  16           QG       ARG  16   9.560   7.428  -0.559
  164    QD   ARG  16           QD       ARG  16   9.429   7.788   1.699
  165    QH1  ARG  16           QH2      ARG  16   5.570   6.553   2.473
  166    QH2  ARG  16           QH1      ARG  16   7.569   8.165   4.263
  167    H    ALA  17           HN       ALA  17   7.087   2.731   0.182
  168    HA   ALA  17           HA       ALA  17   4.201   3.404   0.526
  169   1HB   ALA  17          2HB       ALA  17   4.729   2.525  -1.751
  170   2HB   ALA  17          3HB       ALA  17   5.449   1.094  -1.023
  171   3HB   ALA  17          1HB       ALA  17   3.722   1.395  -0.849
  172    QB   ALA  17           QB       ALA  17   4.633   1.671  -1.208
  173    H    LYS  18           HN       LYS  18   6.735   0.933   1.000
  174    HA   LYS  18           HA       LYS  18   5.265  -0.721   2.759
  175   1HB   LYS  18          2HB       LYS  18   7.302  -1.469   1.672
  176   2HB   LYS  18          3HB       LYS  18   8.239  -0.205   2.460
  177   1HG   LYS  18          2HG       LYS  18   6.645  -2.068   4.201
  178   2HG   LYS  18          3HG       LYS  18   8.106  -2.702   3.452
  179   1HD   LYS  18          2HD       LYS  18   9.457  -0.979   4.414
  180   2HD   LYS  18          3HD       LYS  18   8.078  -0.084   4.981
  181   1HE   LYS  18          2HE       LYS  18   8.514  -2.920   5.919
  182   2HE   LYS  18          3HE       LYS  18   9.278  -1.559   6.739
  183   1HZ   LYS  18          1HZ       LYS  18   6.582  -0.891   6.325
  184   2HZ   LYS  18          2HZ       LYS  18   6.607  -2.457   6.987
  185   3HZ   LYS  18          3HZ       LYS  18   7.388  -1.194   7.800
  186    QB   LYS  18           QB       LYS  18   7.771  -0.837   2.066
  187    QG   LYS  18           QG       LYS  18   7.376  -2.385   3.826
  188    QD   LYS  18           QD       LYS  18   8.767  -0.532   4.697
  189    QE   LYS  18           QE       LYS  18   8.896  -2.239   6.329
  190    QZ   LYS  18           QZ       LYS  18   6.859  -1.514   7.037
  191    H    ASP  19           HN       ASP  19   7.003   2.245   3.269
  192    HA   ASP  19           HA       ASP  19   6.868   2.081   6.175
  193   1HB   ASP  19          2HB       ASP  19   7.883   4.241   6.126
  194   2HB   ASP  19          3HB       ASP  19   8.553   3.427   4.716
  195    QB   ASP  19           QB       ASP  19   8.218   3.834   5.421
  196    H    LEU  20           HN       LEU  20   5.025   3.702   3.583
  197    HA   LEU  20           HA       LEU  20   3.314   5.196   5.315
  198   1HB   LEU  20          2HB       LEU  20   3.369   5.574   2.854
  199   2HB   LEU  20          3HB       LEU  20   2.614   4.018   2.584
  200    HG   LEU  20           HG       LEU  20   0.565   4.757   3.715
  201   1HD1  LEU  20          2HD1      LEU  20   2.092   7.346   4.225
  202   2HD1  LEU  20          3HD1      LEU  20   0.373   7.114   4.532
  203   3HD1  LEU  20          1HD1      LEU  20   1.554   6.203   5.455
  204   1HD2  LEU  20          3HD2      LEU  20   0.836   5.399   1.316
  205   2HD2  LEU  20          1HD2      LEU  20  -0.120   6.586   2.196
  206   3HD2  LEU  20          2HD2      LEU  20   1.567   6.917   1.815
  207    QB   LEU  20           QB       LEU  20   2.992   4.796   2.719
  208    QD1  LEU  20           QD1      LEU  20   1.340   6.888   4.737
  209    QD2  LEU  20           QD2      LEU  20   0.761   6.301   1.775
  210    QQD  LEU  20           QQD      LEU  20   1.050   6.594   3.256
  211    H    ALA  21           HN       ALA  21   2.952   1.970   3.876
  212    HA   ALA  21           HA       ALA  21   0.546   1.276   5.253
  213   1HB   ALA  21          2HB       ALA  21   1.480  -0.085   3.366
  214   2HB   ALA  21          3HB       ALA  21   2.802  -0.593   4.414
  215   3HB   ALA  21          1HB       ALA  21   1.146  -1.068   4.789
  216    QB   ALA  21           QB       ALA  21   1.809  -0.582   4.189
  217    H    GLU  22           HN       GLU  22   3.936   1.264   6.175
  218    HA   GLU  22           HA       GLU  22   3.653  -0.290   8.553
  219   1HB   GLU  22          2HB       GLU  22   5.832   0.443   7.483
  220   2HB   GLU  22          3HB       GLU  22   5.541   2.051   8.113
  221   1HG   GLU  22          2HG       GLU  22   6.833   1.150   9.791
  222   2HG   GLU  22          3HG       GLU  22   5.228   0.799  10.408
  223    QB   GLU  22           QB       GLU  22   5.686   1.247   7.798
  224    QG   GLU  22           QG       GLU  22   6.030   0.975  10.100
  225    H    LYS  23           HN       LYS  23   3.776   3.238   8.099
  226    HA   LYS  23           HA       LYS  23   3.069   3.883  10.765
  227   1HB   LYS  23          2HB       LYS  23   3.828   5.475   8.843
  228   2HB   LYS  23          3HB       LYS  23   2.137   5.514   8.376
  229   1HG   LYS  23          2HG       LYS  23   2.428   7.387   9.841
  230   2HG   LYS  23          3HG       LYS  23   1.638   6.169  10.809
  231   1HD   LYS  23          2HD       LYS  23   4.570   5.971  10.904
  232   2HD   LYS  23          3HD       LYS  23   3.960   7.493  11.520
  233   1HE   LYS  23          2HE       LYS  23   2.999   4.758  12.452
  234   2HE   LYS  23          3HE       LYS  23   4.186   5.735  13.291
  235   1HZ   LYS  23          2HZ       LYS  23   1.851   7.287  12.794
  236   2HZ   LYS  23          3HZ       LYS  23   1.416   5.817  13.516
  237   3HZ   LYS  23          1HZ       LYS  23   2.545   6.820  14.276
  238    QB   LYS  23           QB       LYS  23   2.982   5.494   8.609
  239    QG   LYS  23           QG       LYS  23   2.033   6.778  10.325
  240    QD   LYS  23           QD       LYS  23   4.265   6.732  11.212
  241    QE   LYS  23           QE       LYS  23   3.593   5.246  12.871
  242    QZ   LYS  23           QZ       LYS  23   1.937   6.641  13.529
  243    H    LEU  24           HN       LEU  24   0.911   3.510   7.894
  244    HA   LEU  24           HA       LEU  24  -1.522   3.887   9.217
  245   1HB   LEU  24          2HB       LEU  24  -0.890   1.878   7.054
  246   2HB   LEU  24          3HB       LEU  24  -2.522   2.246   7.597
  247    HG   LEU  24           HG       LEU  24  -0.546   4.253   6.433
  248   1HD1  LEU  24          2HD1      LEU  24  -1.523   2.695   4.766
  249   2HD1  LEU  24          3HD1      LEU  24  -3.136   3.121   5.322
  250   3HD1  LEU  24          1HD1      LEU  24  -2.122   4.333   4.548
  251   1HD2  LEU  24          2HD2      LEU  24  -3.426   4.597   7.356
  252   2HD2  LEU  24          3HD2      LEU  24  -2.009   5.328   8.100
  253   3HD2  LEU  24          1HD2      LEU  24  -2.499   5.808   6.490
  254    QB   LEU  24           QB       LEU  24  -1.706   2.062   7.326
  255    QD1  LEU  24           QD1      LEU  24  -2.260   3.383   4.879
  256    QD2  LEU  24           QD2      LEU  24  -2.645   5.244   7.315
  257    QQD  LEU  24           QQD      LEU  24  -2.453   4.314   6.097
  258    H    SER  25           HN       SER  25   0.148   0.720   8.913
  259    HA   SER  25           HA       SER  25  -1.488  -0.745  10.664
  260   1HB   SER  25          2HB       SER  25   1.562  -0.875  10.527
  261   2HB   SER  25          3HB       SER  25   0.495  -2.149  11.154
  262    HG   SER  25           HG       SER  25   0.729  -1.138   8.530
  263    QB   SER  25           QB       SER  25   1.028  -1.512  10.840
  264    H    ASN  26           HN       ASN  26   1.187   1.384  11.426
  265    HA   ASN  26           HA       ASN  26   0.653   1.230  14.346
  266   1HB   ASN  26          2HB       ASN  26   2.950   1.069  13.580
  267   2HB   ASN  26          3HB       ASN  26   2.782   2.524  12.619
  268   1HD2  ASN  26          2HD2      ASN  26   2.532   3.586  16.502
  269   2HD2  ASN  26          1HD2      ASN  26   1.317   2.668  15.766
  270    QB   ASN  26           QB       ASN  26   2.866   1.797  13.100
  271    QD2  ASN  26           QD2      ASN  26   1.924   3.127  16.134
  272    H    GLU  27           HN       GLU  27  -1.340   2.362  12.774
  273    HA   GLU  27           HA       GLU  27  -1.389   5.152  13.839
  274   1HB   GLU  27          2HB       GLU  27  -1.735   4.248  11.018
  275   2HB   GLU  27          3HB       GLU  27  -2.645   5.614  11.574
  276   1HG   GLU  27          2HG       GLU  27   0.306   5.501  12.023
  277   2HG   GLU  27          3HG       GLU  27  -0.321   5.996  10.458
  278    QB   GLU  27           QB       GLU  27  -2.190   4.931  11.296
  279    QG   GLU  27           QG       GLU  27  -0.008   5.748  11.240
  280    NH1  ARG  28           NH2      ARG  28  -6.127   7.935   9.626
  281    NH2  ARG  28           NH1      ARG  28  -4.230   8.886  10.465
  282    H    ARG  28           HN       ARG  28  -3.351   2.909  11.924
  283    HA   ARG  28           HA       ARG  28  -5.746   3.953  13.367
  284   1HB   ARG  28          2HB       ARG  28  -5.837   2.273  10.854
  285   2HB   ARG  28          3HB       ARG  28  -7.045   3.396  11.459
  286   1HG   ARG  28          2HG       ARG  28  -4.326   4.098  10.279
  287   2HG   ARG  28          3HG       ARG  28  -5.898   4.441   9.576
  288   1HD   ARG  28          2HD       ARG  28  -6.405   6.072  11.291
  289   2HD   ARG  28          3HD       ARG  28  -5.026   5.579  12.263
  290    HE   ARG  28           HE       ARG  28  -3.586   6.454  10.334
  291   1HH1  ARG  28          2HH2      ARG  28  -6.660   7.111   9.467
  292   2HH1  ARG  28          1HH2      ARG  28  -6.475   8.839   9.318
  293   1HH2  ARG  28          2HH1      ARG  28  -3.333   8.756  10.911
  294   2HH2  ARG  28          1HH1      ARG  28  -4.543   9.807  10.207
  295    QB   ARG  28           QB       ARG  28  -6.441   2.834  11.156
  296    QG   ARG  28           QG       ARG  28  -5.112   4.269   9.928
  297    QD   ARG  28           QD       ARG  28  -5.715   5.825  11.777
  298    QH1  ARG  28           QH2      ARG  28  -6.568   7.975   9.393
  299    QH2  ARG  28           QH1      ARG  28  -3.938   9.282  10.559
  300    H    ASP  29           HN       ASP  29  -7.453   1.820  12.635
  301    HA   ASP  29           HA       ASP  29  -6.649  -0.112  14.743
  302   1HB   ASP  29          2HB       ASP  29  -8.758   1.241  14.956
  303   2HB   ASP  29          3HB       ASP  29  -9.397   0.390  13.566
  304    QB   ASP  29           QB       ASP  29  -9.078   0.816  14.261
  305    H    ASP  30           HN       ASP  30  -8.888  -0.587  11.948
  306    HA   ASP  30           HA       ASP  30  -7.821  -3.321  11.755
  307   1HB   ASP  30          2HB       ASP  30  -9.655  -3.753  10.242
  308   2HB   ASP  30          3HB       ASP  30 -10.274  -2.789  11.574
  309    QB   ASP  30           QB       ASP  30  -9.965  -3.271  10.908
  310    H    PHE  31           HN       PHE  31  -5.727  -1.845  11.152
  311    HA   PHE  31           HA       PHE  31  -5.574  -1.983   8.164
  312   1HB   PHE  31          2HB       PHE  31  -5.280   0.347   9.047
  313   2HB   PHE  31          3HB       PHE  31  -3.876  -0.216   9.954
  314    HD1  PHE  31          1HD       PHE  31  -1.903  -1.172   8.695
  315    HD2  PHE  31          2HD       PHE  31  -5.147   0.658   6.631
  316    HE1  PHE  31          1HE       PHE  31  -0.523  -0.998   6.685
  317    HE2  PHE  31          2HE       PHE  31  -3.759   0.802   4.608
  318    HZ   PHE  31           HZ       PHE  31  -1.436   0.007   4.647
  319    QB   PHE  31           QB       PHE  31  -4.578   0.066   9.500
  320    QR   PHE  31           QR       PHE  31  -2.833  -0.177   6.655
  321    H    GLN  32           HN       GLN  32  -3.936  -3.073   7.275
  322    HA   GLN  32           HA       GLN  32  -1.626  -4.049   8.793
  323   1HB   GLN  32          2HB       GLN  32  -3.444  -6.121   7.503
  324   2HB   GLN  32          3HB       GLN  32  -2.041  -6.413   8.511
  325   1HG   GLN  32          2HG       GLN  32  -3.263  -5.426  10.458
  326   2HG   GLN  32          3HG       GLN  32  -4.689  -5.247   9.438
  327   1HE2  GLN  32          2HE2      GLN  32  -5.570  -8.637   9.756
  328   2HE2  GLN  32          1HE2      GLN  32  -6.045  -7.070   9.330
  329    QB   GLN  32           QB       GLN  32  -2.743  -6.267   8.007
  330    QG   GLN  32           QG       GLN  32  -3.976  -5.336   9.948
  331    QE2  GLN  32           QE2      GLN  32  -5.808  -7.853   9.543
  332    OH   TYR  33           OH       TYR  33   5.264  -3.416   7.492
  333    H    TYR  33           HN       TYR  33  -0.443  -5.664   7.043
  334    HA   TYR  33           HA       TYR  33  -1.148  -5.200   4.309
  335   1HB   TYR  33          2HB       TYR  33   0.526  -3.610   3.616
  336   2HB   TYR  33          3HB       TYR  33  -0.317  -2.883   4.978
  337    HD1  TYR  33           HD1      TYR  33   0.747  -3.190   7.337
  338    HD2  TYR  33           HD2      TYR  33   2.856  -3.947   3.708
  339    HE1  TYR  33           HE1      TYR  33   2.876  -3.064   8.544
  340    HE2  TYR  33           HE2      TYR  33   4.976  -3.818   4.917
  341    HH   TYR  33           HH       TYR  33   5.093  -3.059   8.386
  342    QB   TYR  33           QB       TYR  33   0.105  -3.247   4.297
  343    QR   TYR  33           QR       TYR  33   2.864  -3.504   6.126
  344    H    GLN  34           HN       GLN  34   0.342  -5.979   2.820
  345    HA   GLN  34           HA       GLN  34   2.507  -7.708   3.909
  346   1HB   GLN  34          2HB       GLN  34   0.467  -9.094   3.474
  347   2HB   GLN  34          3HB       GLN  34   0.429  -8.503   1.821
  348   1HG   GLN  34          2HG       GLN  34   1.477 -10.772   2.005
  349   2HG   GLN  34          3HG       GLN  34   2.583  -9.576   1.339
  350   1HE2  GLN  34          2HE2      GLN  34   3.482 -11.353   4.860
  351   2HE2  GLN  34          1HE2      GLN  34   2.052 -11.741   4.035
  352    QB   GLN  34           QB       GLN  34   0.448  -8.798   2.648
  353    QG   GLN  34           QG       GLN  34   2.030 -10.174   1.672
  354    QE2  GLN  34           QE2      GLN  34   2.767 -11.547   4.448
  355    OH   TYR  35           OH       TYR  35   8.462  -3.012  -2.820
  356    H    TYR  35           HN       TYR  35   4.250  -8.007   2.348
  357    HA   TYR  35           HA       TYR  35   4.154  -5.838   0.285
  358   1HB   TYR  35          2HB       TYR  35   6.014  -5.850   2.052
  359   2HB   TYR  35          3HB       TYR  35   6.655  -7.269   1.227
  360    HD1  TYR  35           HD1      TYR  35   7.355  -7.078  -1.188
  361    HD2  TYR  35           HD2      TYR  35   6.235  -3.651   1.057
  362    HE1  TYR  35           HE1      TYR  35   8.311  -5.630  -2.913
  363    HE2  TYR  35           HE2      TYR  35   7.198  -2.207  -0.677
  364    HH   TYR  35           HH       TYR  35   9.380  -2.895  -2.505
  365    QB   TYR  35           QB       TYR  35   6.335  -6.560   1.639
  366    QR   TYR  35           QR       TYR  35   7.275  -4.641  -0.930
  367    H    VAL  36           HN       VAL  36   4.628  -6.218  -1.792
  368    HA   VAL  36           HA       VAL  36   5.071  -9.029  -2.634
  369    HB   VAL  36           HB       VAL  36   2.839  -7.120  -3.297
  370   1HG1  VAL  36          1HG1      VAL  36   3.989  -7.467  -5.498
  371   2HG1  VAL  36          2HG1      VAL  36   3.910  -9.207  -5.253
  372   3HG1  VAL  36          3HG1      VAL  36   2.431  -8.276  -5.444
  373   1HG2  VAL  36          2HG2      VAL  36   2.501  -9.089  -1.837
  374   2HG2  VAL  36          3HG2      VAL  36   1.573  -9.240  -3.325
  375   3HG2  VAL  36          1HG2      VAL  36   3.066 -10.152  -3.123
  376    QG1  VAL  36           QG1      VAL  36   3.443  -8.316  -5.398
  377    QG2  VAL  36           QG2      VAL  36   2.380  -9.494  -2.761
  378    QQG  VAL  36           QQG      VAL  36   2.912  -8.905  -4.080
  379    H    ASP  37           HN       ASP  37   6.217  -9.235  -4.538
  380    HA   ASP  37           HA       ASP  37   7.585  -6.786  -5.558
  381   1HB   ASP  37          2HB       ASP  37   9.278  -7.944  -4.407
  382   2HB   ASP  37          3HB       ASP  37   8.607  -9.514  -4.795
  383    QB   ASP  37           QB       ASP  37   8.942  -8.729  -4.601
  384    H    ILE  38           HN       ILE  38   6.885  -6.409  -7.531
  385    HA   ILE  38           HA       ILE  38   5.238  -7.991  -9.095
  386    HB   ILE  38           HB       ILE  38   5.897  -6.595 -10.994
  387   1HG1  ILE  38          2HG1      ILE  38   8.046  -5.385  -9.250
  388   2HG1  ILE  38          3HG1      ILE  38   8.369  -6.698 -10.370
  389   1HG2  ILE  38          2HG2      ILE  38   4.384  -5.667  -9.276
  390   2HG2  ILE  38          3HG2      ILE  38   5.767  -5.080  -8.364
  391   3HG2  ILE  38          1HG2      ILE  38   5.407  -4.403  -9.945
  392   1HD1  ILE  38          2HD1      ILE  38   7.116  -4.040 -11.137
  393   2HD1  ILE  38          3HD1      ILE  38   8.785  -4.505 -11.447
  394   3HD1  ILE  38          1HD1      ILE  38   7.472  -5.370 -12.241
  395    QG1  ILE  38           QG1      ILE  38   8.207  -6.041  -9.810
  396    QG2  ILE  38           QG2      ILE  38   5.186  -5.050  -9.195
  397    QD1  ILE  38           QD1      ILE  38   7.791  -4.638 -11.608
  398    NH1  ARG  39           NH1      ARG  39  13.057  -9.233  -7.097
  399    NH2  ARG  39           NH2      ARG  39  15.151  -9.818  -7.793
  400    H    ARG  39           HN       ARG  39   8.721  -8.183  -8.760
  401    HA   ARG  39           HA       ARG  39   9.075  -9.900 -11.083
  402   1HB   ARG  39          2HB       ARG  39  10.959  -8.597 -10.030
  403   2HB   ARG  39          3HB       ARG  39  10.869  -9.660  -8.642
  404   1HG   ARG  39          2HG       ARG  39  11.300 -11.619 -10.130
  405   2HG   ARG  39          3HG       ARG  39  11.447 -10.520 -11.492
  406   1HD   ARG  39          2HD       ARG  39  13.691 -10.987 -10.738
  407   2HD   ARG  39          3HD       ARG  39  13.314  -9.346 -10.223
  408    HE   ARG  39           HE       ARG  39  13.103 -11.689  -8.350
  409   1HH1  ARG  39          2HH1      ARG  39  12.068  -9.405  -7.147
  410   2HH1  ARG  39          1HH1      ARG  39  13.398  -8.535  -6.471
  411   1HH2  ARG  39          2HH2      ARG  39  15.720 -10.381  -8.393
  412   2HH2  ARG  39          1HH2      ARG  39  15.581  -9.178  -7.157
  413    QB   ARG  39           QB       ARG  39  10.914  -9.128  -9.336
  414    QG   ARG  39           QG       ARG  39  11.373 -11.070 -10.811
  415    QD   ARG  39           QD       ARG  39  13.502 -10.166 -10.480
  416    QH1  ARG  39           QH1      ARG  39  12.733  -8.970  -6.809
  417    QH2  ARG  39           QH2      ARG  39  15.651  -9.780  -7.775
  418    H    ALA  40           HN       ALA  40   9.267 -10.624  -7.582
  419    HA   ALA  40           HA       ALA  40   9.346 -13.379  -7.576
  420   1HB   ALA  40          2HB       ALA  40   9.178 -12.025  -5.507
  421   2HB   ALA  40          3HB       ALA  40   7.485 -11.690  -5.862
  422   3HB   ALA  40          1HB       ALA  40   7.996 -13.331  -5.494
  423    QB   ALA  40           QB       ALA  40   8.220 -12.349  -5.621
  424    H    GLU  41           HN       GLU  41   6.470 -11.397  -8.102
  425    HA   GLU  41           HA       GLU  41   4.713 -13.691  -8.559
  426   1HB   GLU  41          2HB       GLU  41   4.362 -10.716  -9.127
  427   2HB   GLU  41          3HB       GLU  41   3.115 -11.903  -9.486
  428   1HG   GLU  41          2HG       GLU  41   3.150 -12.601  -7.062
  429   2HG   GLU  41          3HG       GLU  41   4.304 -11.316  -6.747
  430    QB   GLU  41           QB       GLU  41   3.739 -11.310  -9.307
  431    QG   GLU  41           QG       GLU  41   3.727 -11.958  -6.904
  432    H    GLY  42           HN       GLY  42   6.269 -11.312 -10.709
  433   1HA   GLY  42          1HA       GLY  42   7.334 -12.200 -12.787
  434   2HA   GLY  42          2HA       GLY  42   5.954 -13.279 -12.953
  435    QA   GLY  42           QA       GLY  42   6.644 -12.740 -12.870
  436    H    ILE  43           HN       ILE  43   5.992  -9.856 -12.164
  437    HA   ILE  43           HA       ILE  43   4.197  -9.358 -14.483
  438    HB   ILE  43           HB       ILE  43   4.713  -7.689 -11.994
  439   1HG1  ILE  43          2HG1      ILE  43   2.387  -9.524 -12.654
  440   2HG1  ILE  43          3HG1      ILE  43   3.678  -9.921 -11.534
  441   1HG2  ILE  43          2HG2      ILE  43   2.577  -7.516 -14.139
  442   2HG2  ILE  43          3HG2      ILE  43   2.612  -6.539 -12.681
  443   3HG2  ILE  43          1HG2      ILE  43   3.875  -6.354 -13.883
  444   1HD1  ILE  43          2HD1      ILE  43   3.068  -7.961 -10.136
  445   2HD1  ILE  43          3HD1      ILE  43   1.746  -7.596 -11.242
  446   3HD1  ILE  43          1HD1      ILE  43   1.725  -9.083 -10.312
  447    QG1  ILE  43           QG1      ILE  43   3.032  -9.723 -12.094
  448    QG2  ILE  43           QG2      ILE  43   3.021  -6.803 -13.568
  449    QD1  ILE  43           QD1      ILE  43   2.180  -8.213 -10.564
  450    H    THR  44           HN       THR  44   4.485  -7.258 -15.579
  451    HA   THR  44           HA       THR  44   7.378  -6.597 -15.878
  452    HB   THR  44           HB       THR  44   6.677  -5.957 -18.253
  453    HG1  THR  44          1HG       THR  44   4.533  -6.432 -18.754
  454   1HG2  THR  44          2HG2      THR  44   7.418  -8.342 -17.687
  455   2HG2  THR  44          3HG2      THR  44   5.729  -8.734 -17.385
  456   3HG2  THR  44          1HG2      THR  44   6.251  -8.266 -19.004
  457    QG2  THR  44           QG2      THR  44   6.466  -8.448 -18.025
  458    H    LYS  45           HN       LYS  45   5.187  -4.654 -17.549
  459    HA   LYS  45           HA       LYS  45   5.214  -2.430 -15.566
  460   1HB   LYS  45          2HB       LYS  45   7.276  -2.175 -16.910
  461   2HB   LYS  45          3HB       LYS  45   6.347  -2.293 -18.395
  462   1HG   LYS  45          2HG       LYS  45   5.107  -0.202 -17.715
  463   2HG   LYS  45          3HG       LYS  45   6.184  -0.058 -16.331
  464   1HD   LYS  45          2HD       LYS  45   8.113   0.230 -17.750
  465   2HD   LYS  45          3HD       LYS  45   7.235  -0.293 -19.179
  466   1HE   LYS  45          2HE       LYS  45   7.132   2.006 -19.487
  467   2HE   LYS  45          3HE       LYS  45   5.665   1.763 -18.562
  468   1HZ   LYS  45          1HZ       LYS  45   7.898   2.132 -16.844
  469   2HZ   LYS  45          2HZ       LYS  45   7.717   3.440 -17.935
  470   3HZ   LYS  45          3HZ       LYS  45   6.444   2.996 -16.924
  471    QB   LYS  45           QB       LYS  45   6.811  -2.234 -17.653
  472    QG   LYS  45           QG       LYS  45   5.646  -0.130 -17.023
  473    QD   LYS  45           QD       LYS  45   7.674  -0.032 -18.465
  474    QE   LYS  45           QE       LYS  45   6.398   1.884 -19.024
  475    QZ   LYS  45           QZ       LYS  45   7.353   2.856 -17.234
  476    H    GLU  46           HN       GLU  46   3.979  -3.984 -18.374
  477    HA   GLU  46           HA       GLU  46   1.896  -1.954 -18.877
  478   1HB   GLU  46          2HB       GLU  46   1.797  -4.658 -20.190
  479   2HB   GLU  46          3HB       GLU  46   1.422  -3.086 -20.868
  480   1HG   GLU  46          2HG       GLU  46   3.436  -3.731 -21.959
  481   2HG   GLU  46          3HG       GLU  46   3.979  -2.614 -20.709
  482    QB   GLU  46           QB       GLU  46   1.610  -3.872 -20.529
  483    QG   GLU  46           QG       GLU  46   3.707  -3.173 -21.334
  484    H    ASP  47           HN       ASP  47   2.071  -5.416 -17.988
  485    HA   ASP  47           HA       ASP  47  -0.649  -5.910 -17.488
  486   1HB   ASP  47          2HB       ASP  47   0.946  -7.721 -17.258
  487   2HB   ASP  47          3HB       ASP  47   1.782  -6.889 -15.957
  488    QB   ASP  47           QB       ASP  47   1.364  -7.305 -16.607
  489    H    LEU  48           HN       LEU  48   1.679  -4.992 -14.978
  490    HA   LEU  48           HA       LEU  48   0.128  -4.604 -12.799
  491   1HB   LEU  48          2HB       LEU  48   2.605  -3.497 -13.661
  492   2HB   LEU  48          3HB       LEU  48   1.664  -2.163 -13.015
  493    HG   LEU  48           HG       LEU  48   2.164  -4.799 -11.571
  494   1HD1  LEU  48          1HD1      LEU  48   3.299  -2.017 -11.132
  495   2HD1  LEU  48          2HD1      LEU  48   3.568  -3.396 -10.066
  496   3HD1  LEU  48          3HD1      LEU  48   4.194  -3.419 -11.715
  497   1HD2  LEU  48          1HD2      LEU  48   0.834  -2.228 -10.646
  498   2HD2  LEU  48          2HD2      LEU  48  -0.006  -3.742 -10.946
  499   3HD2  LEU  48          3HD2      LEU  48   1.150  -3.623  -9.623
  500    QB   LEU  48           QB       LEU  48   2.135  -2.830 -13.338
  501    QD1  LEU  48           QD1      LEU  48   3.687  -2.944 -10.971
  502    QD2  LEU  48           QD2      LEU  48   0.659  -3.198 -10.405
  503    QQD  LEU  48           QQD      LEU  48   2.173  -3.071 -10.688
  504    H    GLN  49           HN       GLN  49   0.275  -2.236 -15.455
  505    HA   GLN  49           HA       GLN  49  -1.510  -0.331 -14.311
  506   1HB   GLN  49          2HB       GLN  49  -1.081  -1.065 -17.243
  507   2HB   GLN  49          3HB       GLN  49  -1.942   0.371 -16.696
  508   1HG   GLN  49          2HG       GLN  49   0.086   1.131 -15.473
  509   2HG   GLN  49          3HG       GLN  49   0.950  -0.303 -16.000
  510   1HE2  GLN  49          2HE2      GLN  49   2.047   1.297 -18.912
  511   2HE2  GLN  49          1HE2      GLN  49   2.304   0.109 -17.708
  512    QB   GLN  49           QB       GLN  49  -1.512  -0.347 -16.970
  513    QG   GLN  49           QG       GLN  49   0.518   0.414 -15.736
  514    QE2  GLN  49           QE2      GLN  49   2.175   0.703 -18.310
  515    H    GLN  50           HN       GLN  50  -2.269  -3.029 -16.533
  516    HA   GLN  50           HA       GLN  50  -5.129  -2.799 -16.317
  517   1HB   GLN  50          2HB       GLN  50  -3.392  -5.236 -16.850
  518   2HB   GLN  50          3HB       GLN  50  -5.139  -5.269 -16.950
  519   1HG   GLN  50          2HG       GLN  50  -4.549  -4.859 -19.179
  520   2HG   GLN  50          3HG       GLN  50  -4.822  -3.224 -18.590
  521   1HE2  GLN  50          2HE2      GLN  50  -0.986  -4.483 -19.229
  522   2HE2  GLN  50          1HE2      GLN  50  -2.206  -5.633 -18.963
  523    QB   GLN  50           QB       GLN  50  -4.266  -5.253 -16.900
  524    QG   GLN  50           QG       GLN  50  -4.686  -4.042 -18.884
  525    QE2  GLN  50           QE2      GLN  50  -1.596  -5.058 -19.096
  526    H    LYS  51           HN       LYS  51  -2.762  -4.498 -14.425
  527    HA   LYS  51           HA       LYS  51  -4.509  -5.982 -12.708
  528   1HB   LYS  51          2HB       LYS  51  -1.737  -5.634 -13.047
  529   2HB   LYS  51          3HB       LYS  51  -2.050  -5.088 -11.417
  530   1HG   LYS  51          2HG       LYS  51  -3.542  -7.374 -11.440
  531   2HG   LYS  51          3HG       LYS  51  -2.326  -7.804 -12.625
  532   1HD   LYS  51          2HD       LYS  51  -1.621  -8.529 -10.368
  533   2HD   LYS  51          3HD       LYS  51  -0.527  -7.310 -11.001
  534   1HE   LYS  51          2HE       LYS  51  -1.254  -6.978  -8.571
  535   2HE   LYS  51          3HE       LYS  51  -1.494  -5.585  -9.614
  536   1HZ   LYS  51          2HZ       LYS  51  -3.753  -7.340  -9.646
  537   2HZ   LYS  51          3HZ       LYS  51  -3.399  -6.811  -8.072
  538   3HZ   LYS  51          1HZ       LYS  51  -3.683  -5.676  -9.320
  539    QB   LYS  51           QB       LYS  51  -1.893  -5.361 -12.232
  540    QG   LYS  51           QG       LYS  51  -2.934  -7.589 -12.032
  541    QD   LYS  51           QD       LYS  51  -1.074  -7.919 -10.684
  542    QE   LYS  51           QE       LYS  51  -1.374  -6.282  -9.092
  543    QZ   LYS  51           QZ       LYS  51  -3.612  -6.609  -9.012
  544    H    ALA  52           HN       ALA  52  -3.370  -2.738 -12.687
  545    HA   ALA  52           HA       ALA  52  -4.663  -2.150 -10.072
  546   1HB   ALA  52          3HB       ALA  52  -2.816  -0.537 -11.878
  547   2HB   ALA  52          1HB       ALA  52  -3.440   0.037 -10.341
  548   3HB   ALA  52          2HB       ALA  52  -2.362  -1.349 -10.385
  549    QB   ALA  52           QB       ALA  52  -2.873  -0.616 -10.868
  550    H    GLY  53           HN       GLY  53  -4.352  -0.267 -13.052
  551   1HA   GLY  53          1HA       GLY  53  -6.438   0.135 -14.406
  552   2HA   GLY  53          2HA       GLY  53  -7.297   0.289 -12.880
  553    QA   GLY  53           QA       GLY  53  -6.867   0.212 -13.643
  554    H    LYS  54           HN       LYS  54  -4.146   1.671 -13.745
  555    HA   LYS  54           HA       LYS  54  -5.406   4.367 -13.742
  556   1HB   LYS  54          2HB       LYS  54  -3.186   3.423 -11.920
  557   2HB   LYS  54          3HB       LYS  54  -3.325   5.117 -12.358
  558   1HG   LYS  54          2HG       LYS  54  -5.738   3.669 -11.325
  559   2HG   LYS  54          3HG       LYS  54  -4.534   4.244 -10.188
  560   1HD   LYS  54          2HD       LYS  54  -4.759   6.539 -11.291
  561   2HD   LYS  54          3HD       LYS  54  -6.128   5.887 -12.190
  562   1HE   LYS  54          2HE       LYS  54  -6.945   7.030 -10.179
  563   2HE   LYS  54          3HE       LYS  54  -7.233   5.298 -10.024
  564   1HZ   LYS  54          1HZ       LYS  54  -4.663   5.902  -9.043
  565   2HZ   LYS  54          2HZ       LYS  54  -5.765   6.965  -8.315
  566   3HZ   LYS  54          3HZ       LYS  54  -6.005   5.277  -8.192
  567    QB   LYS  54           QB       LYS  54  -3.255   4.270 -12.139
  568    QG   LYS  54           QG       LYS  54  -5.136   3.957 -10.756
  569    QD   LYS  54           QD       LYS  54  -5.443   6.213 -11.741
  570    QE   LYS  54           QE       LYS  54  -7.089   6.164 -10.102
  571    QZ   LYS  54           QZ       LYS  54  -5.478   6.048  -8.517
  572    HA   PRO  55           HA       PRO  55  -2.627   4.931 -17.097
  573   1HB   PRO  55          2HB       PRO  55  -2.708   7.661 -17.339
  574   2HB   PRO  55          3HB       PRO  55  -4.083   6.624 -17.744
  575   1HG   PRO  55          2HG       PRO  55  -3.639   8.316 -15.298
  576   2HG   PRO  55          3HG       PRO  55  -5.150   7.954 -16.143
  577   1HD   PRO  55          2HD       PRO  55  -4.278   6.686 -13.787
  578   2HD   PRO  55          3HD       PRO  55  -5.511   6.043 -14.895
  579    QB   PRO  55           QB       PRO  55  -3.396   7.142 -17.541
  580    QG   PRO  55           QG       PRO  55  -4.395   8.135 -15.720
  581    QD   PRO  55           QD       PRO  55  -4.895   6.365 -14.341
  582    H    VAL  56           HN       VAL  56  -1.176   4.396 -14.887
  583    HA   VAL  56           HA       VAL  56   1.067   6.373 -15.016
  584    HB   VAL  56           HB       VAL  56   1.562   5.259 -12.608
  585   1HG1  VAL  56          1HG1      VAL  56  -0.472   7.479 -13.109
  586   2HG1  VAL  56          2HG1      VAL  56   0.423   7.237 -11.606
  587   3HG1  VAL  56          3HG1      VAL  56   1.277   7.682 -13.083
  588   1HG2  VAL  56          3HG2      VAL  56  -0.446   3.784 -12.719
  589   2HG2  VAL  56          1HG2      VAL  56  -0.548   4.917 -11.370
  590   3HG2  VAL  56          2HG2      VAL  56  -1.467   5.211 -12.840
  591    QG1  VAL  56           QG1      VAL  56   0.409   7.466 -12.599
  592    QG2  VAL  56           QG2      VAL  56  -0.820   4.637 -12.310
  593    QQG  VAL  56           QQG      VAL  56  -0.205   6.052 -12.455
  594    H    GLU  57           HN       GLU  57   2.167   5.288 -16.604
  595    HA   GLU  57           HA       GLU  57   2.596   2.440 -16.549
  596   1HB   GLU  57          2HB       GLU  57   4.158   2.903 -18.421
  597   2HB   GLU  57          3HB       GLU  57   2.628   3.713 -18.639
  598   1HG   GLU  57          2HG       GLU  57   4.083   5.450 -19.157
  599   2HG   GLU  57          3HG       GLU  57   3.896   5.732 -17.433
  600    QB   GLU  57           QB       GLU  57   3.393   3.308 -18.530
  601    QG   GLU  57           QG       GLU  57   3.989   5.591 -18.295
  602    H    THR  58           HN       THR  58   3.772   4.691 -14.534
  603    HA   THR  58           HA       THR  58   6.533   3.684 -14.297
  604    HB   THR  58           HB       THR  58   4.937   5.865 -12.876
  605    HG1  THR  58          1HG       THR  58   6.226   5.692 -15.137
  606   1HG2  THR  58          3HG2      THR  58   7.881   5.138 -12.500
  607   2HG2  THR  58          1HG2      THR  58   7.094   6.578 -11.876
  608   3HG2  THR  58          2HG2      THR  58   6.644   5.005 -11.245
  609    QG2  THR  58           QG2      THR  58   7.206   5.573 -11.874
  610    H    VAL  59           HN       VAL  59   7.261   3.234 -11.974
  611    HA   VAL  59           HA       VAL  59   5.419   1.206 -10.848
  612    HB   VAL  59           HB       VAL  59   7.664   0.479 -11.579
  613   1HG1  VAL  59          2HG1      VAL  59   8.645   2.379  -9.414
  614   2HG1  VAL  59          3HG1      VAL  59   9.662   1.261 -10.318
  615   3HG1  VAL  59          1HG1      VAL  59   8.868   2.596 -11.144
  616   1HG2  VAL  59          2HG2      VAL  59   6.577  -0.723  -9.711
  617   2HG2  VAL  59          3HG2      VAL  59   8.325  -0.709  -9.522
  618   3HG2  VAL  59          1HG2      VAL  59   7.335   0.380  -8.563
  619    QG1  VAL  59           QG1      VAL  59   9.058   2.079 -10.292
  620    QG2  VAL  59           QG2      VAL  59   7.412  -0.351  -9.265
  621    QQG  VAL  59           QQG      VAL  59   8.235   0.864  -9.779
  622    HA   PRO  60           HA       PRO  60   4.738   0.275  -9.364
  623   1HB   PRO  60          2HB       PRO  60   4.254  -0.652  -6.857
  624   2HB   PRO  60          3HB       PRO  60   5.847  -0.786  -7.604
  625   1HG   PRO  60          2HG       PRO  60   4.937   1.034  -5.426
  626   2HG   PRO  60          3HG       PRO  60   6.562   0.443  -5.782
  627   1HD   PRO  60          2HD       PRO  60   5.412   3.007  -6.509
  628   2HD   PRO  60          3HD       PRO  60   7.041   2.407  -6.887
  629    QB   PRO  60           QB       PRO  60   5.050  -0.719  -7.230
  630    QG   PRO  60           QG       PRO  60   5.749   0.739  -5.604
  631    QD   PRO  60           QD       PRO  60   6.226   2.707  -6.698
  632    H    GLN  61           HN       GLN  61   2.701  -0.681  -7.914
  633    HA   GLN  61           HA       GLN  61   0.745   1.566  -7.650
  634   1HB   GLN  61          2HB       GLN  61   0.473  -1.077  -9.079
  635   2HB   GLN  61          3HB       GLN  61  -0.946  -0.303  -8.397
  636   1HG   GLN  61          2HG       GLN  61  -0.753   0.392 -10.720
  637   2HG   GLN  61          3HG       GLN  61  -0.384   1.775  -9.699
  638   1HE2  GLN  61          2HE2      GLN  61   2.571   2.158 -11.608
  639   2HE2  GLN  61          1HE2      GLN  61   1.101   2.856 -11.119
  640    QB   GLN  61           QB       GLN  61  -0.236  -0.690  -8.738
  641    QG   GLN  61           QG       GLN  61  -0.568   1.084 -10.210
  642    QE2  GLN  61           QE2      GLN  61   1.836   2.507 -11.364
  643    H    ILE  62           HN       ILE  62  -0.939   1.178  -6.146
  644    HA   ILE  62           HA       ILE  62  -0.318  -0.911  -4.097
  645    HB   ILE  62           HB       ILE  62  -1.533   1.828  -3.614
  646   1HG1  ILE  62          2HG1      ILE  62   0.825   2.042  -4.352
  647   2HG1  ILE  62          3HG1      ILE  62   0.626   2.506  -2.673
  648   1HG2  ILE  62          1HG2      ILE  62  -0.527  -0.329  -1.729
  649   2HG2  ILE  62          2HG2      ILE  62  -1.020   1.283  -1.216
  650   3HG2  ILE  62          3HG2      ILE  62  -2.194   0.190  -1.936
  651   1HD1  ILE  62          1HD1      ILE  62   1.655  -0.188  -3.627
  652   2HD1  ILE  62          2HD1      ILE  62   2.636   1.108  -2.963
  653   3HD1  ILE  62          3HD1      ILE  62   1.459   0.292  -1.945
  654    QG1  ILE  62           QG1      ILE  62   0.726   2.274  -3.512
  655    QG2  ILE  62           QG2      ILE  62  -1.247   0.382  -1.627
  656    QD1  ILE  62           QD1      ILE  62   1.917   0.404  -2.845
  657    H    PHE  63           HN       PHE  63  -1.957  -1.939  -3.159
  658    HA   PHE  63           HA       PHE  63  -4.733  -1.558  -4.220
  659   1HB   PHE  63          2HB       PHE  63  -3.206  -4.099  -3.514
  660   2HB   PHE  63          3HB       PHE  63  -4.937  -4.062  -3.839
  661    HD1  PHE  63          2HD       PHE  63  -1.703  -2.925  -5.408
  662    HD2  PHE  63          1HD       PHE  63  -5.636  -4.446  -6.021
  663    HE1  PHE  63          2HE       PHE  63  -1.359  -2.827  -7.832
  664    HE2  PHE  63          1HE       PHE  63  -5.275  -4.394  -8.446
  665    HZ   PHE  63           HZ       PHE  63  -3.174  -3.498  -9.345
  666    QB   PHE  63           QB       PHE  63  -4.071  -4.080  -3.676
  667    QR   PHE  63           QR       PHE  63  -3.493  -3.648  -6.927
  668    H    VAL  64           HN       VAL  64  -6.223  -1.228  -2.565
  669    HA   VAL  64           HA       VAL  64  -5.202  -1.827   0.198
  670    HB   VAL  64           HB       VAL  64  -7.200   0.253  -0.746
  671   1HG1  VAL  64          3HG1      VAL  64  -6.475  -0.549   2.094
  672   2HG1  VAL  64          1HG1      VAL  64  -7.477   0.823   1.642
  673   3HG1  VAL  64          2HG1      VAL  64  -8.045  -0.808   1.334
  674   1HG2  VAL  64          1HG2      VAL  64  -4.723   0.777  -0.811
  675   2HG2  VAL  64          2HG2      VAL  64  -5.609   1.796   0.322
  676   3HG2  VAL  64          3HG2      VAL  64  -4.651   0.441   0.913
  677    QG1  VAL  64           QG1      VAL  64  -7.333  -0.178   1.690
  678    QG2  VAL  64           QG2      VAL  64  -4.994   1.005   0.141
  679    QQG  VAL  64           QQG      VAL  64  -6.163   0.413   0.916
  680    H    ASP  65           HN       ASP  65  -6.280  -3.033   1.475
  681    HA   ASP  65           HA       ASP  65  -7.561  -4.796   2.179
  682   1HB   ASP  65          2HB       ASP  65  -9.277  -2.576   1.632
  683   2HB   ASP  65          3HB       ASP  65 -10.127  -4.012   1.101
  684    QB   ASP  65           QB       ASP  65  -9.702  -3.294   1.366
  685    H    GLN  66           HN       GLN  66  -9.484  -4.142  -0.675
  686    HA   GLN  66           HA       GLN  66  -8.600  -6.736  -1.813
  687   1HB   GLN  66          2HB       GLN  66 -11.480  -5.844  -1.409
  688   2HB   GLN  66          3HB       GLN  66 -11.009  -7.245  -2.360
  689   1HG   GLN  66          2HG       GLN  66 -10.181  -6.943   0.545
  690   2HG   GLN  66          3HG       GLN  66 -11.701  -7.692   0.078
  691   1HE2  GLN  66          2HE2      GLN  66  -8.229  -9.727  -0.476
  692   2HE2  GLN  66          1HE2      GLN  66  -8.197  -8.108   0.033
  693    QB   GLN  66           QB       GLN  66 -11.245  -6.545  -1.885
  694    QG   GLN  66           QG       GLN  66 -10.941  -7.317   0.312
  695    QE2  GLN  66           QE2      GLN  66  -8.213  -8.917  -0.222
  696    H    GLN  67           HN       GLN  67  -9.031  -3.489  -2.361
  697    HA   GLN  67           HA       GLN  67  -9.586  -3.918  -5.248
  698   1HB   GLN  67          2HB       GLN  67  -9.893  -1.158  -4.505
  699   2HB   GLN  67          3HB       GLN  67 -11.099  -2.277  -5.092
  700   1HG   GLN  67          2HG       GLN  67 -10.345  -2.219  -2.168
  701   2HG   GLN  67          3HG       GLN  67 -11.578  -1.163  -2.834
  702   1HE2  GLN  67          2HE2      GLN  67 -12.679  -4.981  -3.609
  703   2HE2  GLN  67          1HE2      GLN  67 -11.239  -4.362  -4.257
  704    QB   GLN  67           QB       GLN  67 -10.496  -1.717  -4.798
  705    QG   GLN  67           QG       GLN  67 -10.962  -1.691  -2.501
  706    QE2  GLN  67           QE2      GLN  67 -11.959  -4.671  -3.933
  707    H    HIS  68           HN       HIS  68  -8.769  -1.964  -6.499
  708    HA   HIS  68           HA       HIS  68  -5.835  -1.734  -5.997
  709   1HB   HIS  68          2HB       HIS  68  -5.988  -2.299  -8.206
  710   2HB   HIS  68          3HB       HIS  68  -7.619  -1.708  -8.361
  711    HD1  HIS  68           HD1      HIS  68  -7.802   0.283  -9.642
  712    HD2  HIS  68           HD2      HIS  68  -4.039   0.082  -8.017
  713    HE1  HIS  68           HE1      HIS  68  -6.672   2.449 -10.222
  714    QB   HIS  68           QB       HIS  68  -6.804  -2.003  -8.283
  715    H    ILE  69           HN       ILE  69  -4.935   0.406  -5.802
  716    HA   ILE  69           HA       ILE  69  -7.011   2.543  -5.447
  717    HB   ILE  69           HB       ILE  69  -4.333   2.264  -4.043
  718   1HG1  ILE  69          2HG1      ILE  69  -5.846   0.539  -3.226
  719   2HG1  ILE  69          3HG1      ILE  69  -5.762   1.822  -2.035
  720   1HG2  ILE  69          1HG2      ILE  69  -6.638   4.194  -3.628
  721   2HG2  ILE  69          2HG2      ILE  69  -5.216   4.082  -2.602
  722   3HG2  ILE  69          3HG2      ILE  69  -5.056   4.603  -4.274
  723   1HD1  ILE  69          3HD1      ILE  69  -8.006   1.523  -4.052
  724   2HD1  ILE  69          1HD1      ILE  69  -8.097   1.069  -2.364
  725   3HD1  ILE  69          2HD1      ILE  69  -7.893   2.755  -2.805
  726    QG1  ILE  69           QG1      ILE  69  -5.804   1.181  -2.631
  727    QG2  ILE  69           QG2      ILE  69  -5.636   4.293  -3.501
  728    QD1  ILE  69           QD1      ILE  69  -7.999   1.783  -3.074
  729    H    GLY  70           HN       GLY  70  -3.642   1.993  -6.414
  730   1HA   GLY  70          1HA       GLY  70  -3.434   3.185  -8.797
  731   2HA   GLY  70          2HA       GLY  70  -3.667   4.616  -7.809
  732    QA   GLY  70           QA       GLY  70  -3.550   3.901  -8.303
  733    H    GLY  71           HN       GLY  71  -1.554   5.402  -8.371
  734   1HA   GLY  71          1HA       GLY  71   0.773   3.694  -7.715
  735   2HA   GLY  71          2HA       GLY  71   0.847   5.315  -8.381
  736    QA   GLY  71           QA       GLY  71   0.810   4.505  -8.048
  737    OH   TYR  72           OH       TYR  72   5.808   9.231  -0.204
  738    H    TYR  72           HN       TYR  72   2.637   5.298  -6.694
  739    HA   TYR  72           HA       TYR  72   2.212   5.296  -3.924
  740   1HB   TYR  72          2HB       TYR  72   4.448   5.466  -4.815
  741   2HB   TYR  72          3HB       TYR  72   4.076   6.976  -5.634
  742    HD1  TYR  72           HD2      TYR  72   3.087   6.159  -2.119
  743    HD2  TYR  72           HD1      TYR  72   5.751   8.338  -4.625
  744    HE1  TYR  72           HE2      TYR  72   3.921   7.389  -0.175
  745    HE2  TYR  72           HE1      TYR  72   6.598   9.544  -2.675
  746    HH   TYR  72           HH       TYR  72   5.263  10.018  -0.098
  747    QB   TYR  72           QB       TYR  72   4.262   6.221  -5.225
  748    QR   TYR  72           QR       TYR  72   4.839   7.857  -2.398
  749    H    THR  73           HN       THR  73   1.792   8.013  -6.185
  750    HA   THR  73           HA       THR  73   0.961   9.890  -4.195
  751    HB   THR  73           HB       THR  73  -0.138  10.999  -6.344
  752    HG1  THR  73          1HG       THR  73  -0.192   9.470  -7.827
  753   1HG2  THR  73          1HG2      THR  73   2.834  10.241  -6.403
  754   2HG2  THR  73          2HG2      THR  73   2.100  11.611  -7.231
  755   3HG2  THR  73          3HG2      THR  73   2.191  11.589  -5.472
  756    QG2  THR  73           QG2      THR  73   2.375  11.147  -6.369
  757    H    ASP  74           HN       ASP  74  -0.870   7.584  -6.225
  758    HA   ASP  74           HA       ASP  74  -3.463   8.480  -5.342
  759   1HB   ASP  74          2HB       ASP  74  -2.476   5.838  -6.394
  760   2HB   ASP  74          3HB       ASP  74  -4.146   6.046  -5.880
  761    QB   ASP  74           QB       ASP  74  -3.311   5.942  -6.137
  762    H    PHE  75           HN       PHE  75  -1.367   5.848  -4.153
  763    HA   PHE  75           HA       PHE  75  -3.137   5.124  -2.025
  764   1HB   PHE  75          2HB       PHE  75  -1.143   3.762  -2.725
  765   2HB   PHE  75          3HB       PHE  75  -0.104   4.962  -1.976
  766    HD1  PHE  75          2HD       PHE  75  -3.399   3.670  -0.679
  767    HD2  PHE  75          1HD       PHE  75   0.831   3.789  -0.152
  768    HE1  PHE  75          2HE       PHE  75  -3.624   2.478   1.450
  769    HE2  PHE  75          1HE       PHE  75   0.602   2.569   1.961
  770    HZ   PHE  75           HZ       PHE  75  -1.628   1.881   2.746
  771    QB   PHE  75           QB       PHE  75  -0.624   4.362  -2.351
  772    QR   PHE  75           QR       PHE  75  -1.398   3.126   0.645
  773    H    ALA  76           HN       ALA  76  -0.317   7.311  -2.044
  774    HA   ALA  76           HA       ALA  76  -0.456   8.195   0.609
  775   1HB   ALA  76          1HB       ALA  76   1.329   8.854  -0.951
  776   2HB   ALA  76          2HB       ALA  76   0.191   9.843  -1.857
  777   3HB   ALA  76          3HB       ALA  76   0.615  10.277  -0.207
  778    QB   ALA  76           QB       ALA  76   0.712   9.658  -1.005
  779    H    ALA  77           HN       ALA  77  -2.153   9.667  -2.182
  780    HA   ALA  77           HA       ALA  77  -3.600  11.546  -0.537
  781   1HB   ALA  77          1HB       ALA  77  -4.250  10.497  -3.325
  782   2HB   ALA  77          2HB       ALA  77  -4.989  11.907  -2.570
  783   3HB   ALA  77          3HB       ALA  77  -3.274  11.918  -2.966
  784    QB   ALA  77           QB       ALA  77  -4.171  11.440  -2.953
  785    CH2  TRP  78           CH2      TRP  78  -8.232   3.266   2.026
  786    H    TRP  78           HN       TRP  78  -4.659   8.564  -2.192
  787    HA   TRP  78           HA       TRP  78  -7.255   8.311  -1.287
  788   1HB   TRP  78          2HB       TRP  78  -6.086   6.615  -2.674
  789   2HB   TRP  78          3HB       TRP  78  -5.191   6.094  -1.270
  790    HD1  TRP  78           HD1      TRP  78  -8.704   5.896  -2.828
  791    HE1  TRP  78           HE1      TRP  78 -10.179   4.393  -1.476
  792    HE3  TRP  78           HE3      TRP  78  -5.515   4.955   0.895
  793    HZ2  TRP  78           HZ2      TRP  78 -10.090   3.059   1.012
  794    HZ3  TRP  78           HZ3      TRP  78  -6.286   3.614   2.825
  795    HH2  TRP  78           HH2      TRP  78  -8.544   2.671   2.871
  796    QB   TRP  78           QB       TRP  78  -5.638   6.354  -1.972
  797    H    VAL  79           HN       VAL  79  -4.304   7.424   0.453
  798    HA   VAL  79           HA       VAL  79  -5.529   6.703   2.929
  799    HB   VAL  79           HB       VAL  79  -2.777   7.795   2.213
  800   1HG1  VAL  79          2HG1      VAL  79  -3.722   6.791   4.920
  801   2HG1  VAL  79          3HG1      VAL  79  -2.045   7.101   4.495
  802   3HG1  VAL  79          1HG1      VAL  79  -3.199   8.426   4.554
  803   1HG2  VAL  79          2HG2      VAL  79  -3.745   5.039   3.051
  804   2HG2  VAL  79          3HG2      VAL  79  -3.314   5.520   1.418
  805   3HG2  VAL  79          1HG2      VAL  79  -2.080   5.459   2.667
  806    QG1  VAL  79           QG1      VAL  79  -2.989   7.439   4.657
  807    QG2  VAL  79           QG2      VAL  79  -3.046   5.339   2.379
  808    QQG  VAL  79           QQG      VAL  79  -3.018   6.389   3.518
  809    H    LYS  80           HN       LYS  80  -3.918   9.731   1.945
  810    HA   LYS  80           HA       LYS  80  -5.079  11.226   4.144
  811   1HB   LYS  80          2HB       LYS  80  -2.864  11.654   2.834
  812   2HB   LYS  80          3HB       LYS  80  -3.886  12.384   1.607
  813   1HG   LYS  80          2HG       LYS  80  -4.655  13.355   4.225
  814   2HG   LYS  80          3HG       LYS  80  -2.931  13.586   3.992
  815   1HD   LYS  80          2HD       LYS  80  -3.221  15.099   2.259
  816   2HD   LYS  80          3HD       LYS  80  -4.709  14.348   1.700
  817   1HE   LYS  80          2HE       LYS  80  -4.477  15.940   4.278
  818   2HE   LYS  80          3HE       LYS  80  -5.065  16.603   2.756
  819   1HZ   LYS  80          2HZ       LYS  80  -6.469  14.239   3.200
  820   2HZ   LYS  80          3HZ       LYS  80  -6.496  15.060   4.663
  821   3HZ   LYS  80          1HZ       LYS  80  -7.089  15.795   3.268
  822    QB   LYS  80           QB       LYS  80  -3.375  12.019   2.220
  823    QG   LYS  80           QG       LYS  80  -3.793  13.471   4.108
  824    QD   LYS  80           QD       LYS  80  -3.965  14.723   1.979
  825    QE   LYS  80           QE       LYS  80  -4.771  16.272   3.517
  826    QZ   LYS  80           QZ       LYS  80  -6.685  15.031   3.711
  827    H    GLU  81           HN       GLU  81  -6.975   9.875   2.299
  828    HA   GLU  81           HA       GLU  81  -8.624  12.219   1.567
  829   1HB   GLU  81          2HB       GLU  81  -7.648  11.132  -0.427
  830   2HB   GLU  81          3HB       GLU  81  -8.217   9.572   0.120
  831   1HG   GLU  81          2HG       GLU  81 -10.588  10.616   0.021
  832   2HG   GLU  81          3HG       GLU  81  -9.803  11.878  -0.912
  833    QB   GLU  81           QB       GLU  81  -7.933  10.352  -0.154
  834    QG   GLU  81           QG       GLU  81 -10.195  11.247  -0.445
  835    H    ASN  82           HN       ASN  82  -8.727   8.712   2.011
  836    HA   ASN  82           HA       ASN  82 -11.442   8.963   3.202
  837   1HB   ASN  82          2HB       ASN  82  -9.885   6.596   2.121
  838   2HB   ASN  82          3HB       ASN  82 -11.404   6.414   2.994
  839   1HD2  ASN  82          2HD2      ASN  82 -11.427   7.863  -0.814
  840   2HD2  ASN  82          1HD2      ASN  82  -9.974   7.487  -0.018
  841    QB   ASN  82           QB       ASN  82 -10.644   6.505   2.557
  842    QD2  ASN  82           QD2      ASN  82 -10.701   7.675  -0.416
  843    H    LEU  83           HN       LEU  83  -8.205   8.616   4.189
  844    HA   LEU  83           HA       LEU  83  -9.128   7.476   6.810
  845   1HB   LEU  83          2HB       LEU  83  -6.261   7.761   5.840
  846   2HB   LEU  83          3HB       LEU  83  -6.786   6.976   7.313
  847    HG   LEU  83           HG       LEU  83  -7.294   6.051   4.466
  848   1HD1  LEU  83          3HD1      LEU  83  -5.877   4.784   6.837
  849   2HD1  LEU  83          1HD1      LEU  83  -6.077   4.042   5.253
  850   3HD1  LEU  83          2HD1      LEU  83  -5.093   5.485   5.428
  851   1HD2  LEU  83          1HD2      LEU  83  -8.391   4.887   7.056
  852   2HD2  LEU  83          2HD2      LEU  83  -9.345   5.674   5.803
  853   3HD2  LEU  83          3HD2      LEU  83  -8.538   4.153   5.463
  854    QB   LEU  83           QB       LEU  83  -6.524   7.369   6.576
  855    QD1  LEU  83           QD1      LEU  83  -5.682   4.770   5.839
  856    QD2  LEU  83           QD2      LEU  83  -8.758   4.904   6.107
  857    QQD  LEU  83           QQD      LEU  83  -7.220   4.837   5.973
  858    H    ASP  84           HN       ASP  84  -7.452  10.155   5.280
  859    HA   ASP  84           HA       ASP  84  -7.955  11.724   7.772
  860   1HB   ASP  84          2HB       ASP  84  -5.306  11.654   6.291
  861   2HB   ASP  84          3HB       ASP  84  -5.684  12.685   7.671
  862    QB   ASP  84           QB       ASP  84  -5.495  12.169   6.981
  863    H    ALA  85           HN       ALA  85  -9.649  12.006   5.994
  864    HA   ALA  85           HA       ALA  85 -10.347  13.168   3.956
  865   1HB   ALA  85          3HB       ALA  85 -11.573  13.799   5.984
  866   2HB   ALA  85          1HB       ALA  85 -10.352  15.011   6.365
  867   3HB   ALA  85          2HB       ALA  85 -11.370  15.207   4.943
  868    QB   ALA  85           QB       ALA  85 -11.098  14.672   5.764
   
  Start of MODEL          10
 Raw file had 868 H/Q atoms
  Start of MODEL   10
    1    H    MET   1           HN       MET   1  -8.279  -2.830   8.289
    2    HA   MET   1           HA       MET   1  -9.778  -3.480   6.001
    3   1HB   MET   1          2HB       MET   1  -8.374  -0.788   5.922
    4   2HB   MET   1          3HB       MET   1  -8.794  -1.687   4.469
    5   1HG   MET   1          2HG       MET   1 -11.173  -1.717   5.245
    6   2HG   MET   1          3HG       MET   1 -10.719  -0.695   6.588
    7   1HE   MET   1          2HE       MET   1 -10.568   1.521   6.710
    8   2HE   MET   1          3HE       MET   1  -9.158   1.816   5.687
    9   3HE   MET   1          1HE       MET   1 -10.643   2.735   5.436
   10    QB   MET   1           QB       MET   1  -8.584  -1.237   5.195
   11    QG   MET   1           QG       MET   1 -10.946  -1.206   5.917
   12    QE   MET   1           QE       MET   1 -10.123   2.024   5.944
   13    H    GLN   2           HN       GLN   2  -8.033  -3.679   4.069
   14    HA   GLN   2           HA       GLN   2  -5.448  -4.458   5.269
   15   1HB   GLN   2          2HB       GLN   2  -6.775  -5.979   3.013
   16   2HB   GLN   2          3HB       GLN   2  -5.424  -6.481   4.013
   17   1HG   GLN   2          2HG       GLN   2  -7.060  -6.359   6.006
   18   2HG   GLN   2          3HG       GLN   2  -8.336  -6.293   4.791
   19   1HE2  GLN   2          2HE2      GLN   2  -7.950  -9.681   3.836
   20   2HE2  GLN   2          1HE2      GLN   2  -8.648  -8.190   3.431
   21    QB   GLN   2           QB       GLN   2  -6.099  -6.230   3.513
   22    QG   GLN   2           QG       GLN   2  -7.698  -6.326   5.399
   23    QE2  GLN   2           QE2      GLN   2  -8.299  -8.936   3.634
   24    H    THR   3           HN       THR   3  -3.657  -4.474   3.742
   25    HA   THR   3           HA       THR   3  -4.144  -2.971   1.211
   26    HB   THR   3           HB       THR   3  -2.230  -2.095   3.420
   27    HG1  THR   3          1HG       THR   3  -3.883  -0.842   3.793
   28   1HG2  THR   3          2HG2      THR   3  -2.686  -0.924   0.630
   29   2HG2  THR   3          3HG2      THR   3  -1.662  -0.230   1.879
   30   3HG2  THR   3          1HG2      THR   3  -1.217  -1.753   1.120
   31    QG2  THR   3           QG2      THR   3  -1.855  -0.969   1.210
   32    H    VAL   4           HN       VAL   4  -2.762  -3.403  -0.441
   33    HA   VAL   4           HA       VAL   4  -0.384  -5.212   0.009
   34    HB   VAL   4           HB       VAL   4  -2.394  -5.535  -2.252
   35   1HG1  VAL   4          2HG1      VAL   4  -0.073  -6.355  -2.653
   36   2HG1  VAL   4          3HG1      VAL   4  -0.160  -7.311  -1.178
   37   3HG1  VAL   4          1HG1      VAL   4  -1.209  -7.693  -2.539
   38   1HG2  VAL   4          1HG2      VAL   4  -2.141  -7.159   0.312
   39   2HG2  VAL   4          2HG2      VAL   4  -3.490  -6.103  -0.095
   40   3HG2  VAL   4          3HG2      VAL   4  -3.190  -7.552  -1.048
   41    QG1  VAL   4           QG1      VAL   4  -0.481  -7.120  -2.123
   42    QG2  VAL   4           QG2      VAL   4  -2.940  -6.938  -0.277
   43    QQG  VAL   4           QQG      VAL   4  -1.710  -7.029  -1.200
   44    H    ILE   5           HN       ILE   5   1.306  -4.631  -1.192
   45    HA   ILE   5           HA       ILE   5   0.910  -2.405  -3.154
   46    HB   ILE   5           HB       ILE   5   3.196  -2.855  -1.189
   47   1HG1  ILE   5          2HG1      ILE   5   2.382  -0.425  -0.519
   48   2HG1  ILE   5          3HG1      ILE   5   0.879  -0.930  -1.265
   49   1HG2  ILE   5          2HG2      ILE   5   2.785  -0.730  -3.315
   50   2HG2  ILE   5          3HG2      ILE   5   4.043  -0.674  -2.084
   51   3HG2  ILE   5          1HG2      ILE   5   4.047  -1.956  -3.291
   52   1HD1  ILE   5          3HD1      ILE   5   2.284  -2.404   0.983
   53   2HD1  ILE   5          1HD1      ILE   5   0.886  -1.359   1.180
   54   3HD1  ILE   5          2HD1      ILE   5   0.746  -2.857   0.279
   55    QG1  ILE   5           QG1      ILE   5   1.630  -0.677  -0.892
   56    QG2  ILE   5           QG2      ILE   5   3.625  -1.120  -2.897
   57    QD1  ILE   5           QD1      ILE   5   1.305  -2.207   0.814
   58    H    PHE   6           HN       PHE   6   1.707  -2.846  -5.133
   59    HA   PHE   6           HA       PHE   6   3.245  -5.368  -5.500
   60   1HB   PHE   6          2HB       PHE   6   1.622  -3.649  -7.404
   61   2HB   PHE   6          3HB       PHE   6   2.713  -4.896  -7.983
   62    HD1  PHE   6          1HD       PHE   6   2.217  -7.263  -7.606
   63    HD2  PHE   6          2HD       PHE   6  -0.433  -4.249  -6.175
   64    HE1  PHE   6          1HE       PHE   6   0.470  -8.945  -7.277
   65    HE2  PHE   6          2HE       PHE   6  -2.186  -5.938  -5.866
   66    HZ   PHE   6           HZ       PHE   6  -1.730  -8.296  -6.409
   67    QB   PHE   6           QB       PHE   6   2.167  -4.272  -7.693
   68    QR   PHE   6           QR       PHE   6   0.017  -6.599  -6.731
   69    H    GLY   7           HN       GLY   7   4.838  -3.808  -4.391
   70   1HA   GLY   7          1HA       GLY   7   6.248  -2.158  -6.451
   71   2HA   GLY   7          2HA       GLY   7   6.445  -1.972  -4.704
   72    QA   GLY   7           QA       GLY   7   6.346  -2.065  -5.577
   73    NH1  ARG   8           NH2      ARG   8  11.308  -1.376  -8.700
   74    NH2  ARG   8           NH1      ARG   8  12.679  -2.385 -10.208
   75    H    ARG   8           HN       ARG   8   8.725  -2.241  -5.074
   76    HA   ARG   8           HA       ARG   8   9.486  -5.126  -5.361
   77   1HB   ARG   8          2HB       ARG   8  10.071  -3.594  -7.359
   78   2HB   ARG   8          3HB       ARG   8  11.176  -2.779  -6.260
   79   1HG   ARG   8          2HG       ARG   8  12.459  -4.816  -5.925
   80   2HG   ARG   8          3HG       ARG   8  11.278  -5.758  -6.835
   81   1HD   ARG   8          2HD       ARG   8  13.418  -4.964  -8.091
   82   2HD   ARG   8          3HD       ARG   8  11.866  -4.712  -8.895
   83    HE   ARG   8           HE       ARG   8  13.263  -2.545  -7.330
   84   1HH1  ARG   8          2HH2      ARG   8  10.978  -1.298  -7.754
   85   2HH1  ARG   8          1HH2      ARG   8  10.911  -0.798  -9.403
   86   1HH2  ARG   8          2HH1      ARG   8  13.379  -3.075 -10.387
   87   2HH2  ARG   8          1HH1      ARG   8  12.334  -1.820 -10.959
   88    QB   ARG   8           QB       ARG   8  10.623  -3.187  -6.809
   89    QG   ARG   8           QG       ARG   8  11.868  -5.287  -6.380
   90    QD   ARG   8           QD       ARG   8  12.642  -4.838  -8.493
   91    QH1  ARG   8           QH2      ARG   8  10.945  -1.048  -8.578
   92    QH2  ARG   8           QH1      ARG   8  12.857  -2.448 -10.673
   93    H    SER   9           HN       SER   9  11.658  -5.489  -4.256
   94    HA   SER   9           HA       SER   9  11.585  -4.717  -1.574
   95   1HB   SER   9          2HB       SER   9  14.159  -5.274  -1.696
   96   2HB   SER   9          3HB       SER   9  13.011  -6.561  -2.104
   97    HG   SER   9           HG       SER   9  14.827  -5.941  -3.662
   98    QB   SER   9           QB       SER   9  13.585  -5.917  -1.900
   99    H    GLY  10           HN       GLY  10  13.538  -3.345  -4.189
  100   1HA   GLY  10          1HA       GLY  10  13.344  -0.697  -2.866
  101   2HA   GLY  10          2HA       GLY  10  14.960  -1.343  -3.121
  102    QA   GLY  10           QA       GLY  10  14.152  -1.020  -2.993
  103    H    CYS  11           HN       CYS  11  14.251   1.016  -4.205
  104    HA   CYS  11           HA       CYS  11  15.159   1.016  -6.808
  105   1HB   CYS  11          2HB       CYS  11  13.346   1.183  -8.288
  106   2HB   CYS  11          3HB       CYS  11  12.993  -0.219  -7.339
  107    QB   CYS  11           QB       CYS  11  13.169   0.482  -7.814
  108    HA   PRO  12           HA       PRO  12  14.524   2.561  -3.047
  109   1HB   PRO  12          2HB       PRO  12  14.534   5.523  -3.288
  110   2HB   PRO  12          3HB       PRO  12  15.414   4.475  -2.172
  111   1HG   PRO  12          2HG       PRO  12  16.432   5.678  -4.588
  112   2HG   PRO  12          3HG       PRO  12  17.278   4.563  -3.510
  113   1HD   PRO  12          2HD       PRO  12  16.459   3.986  -6.158
  114   2HD   PRO  12          3HD       PRO  12  16.954   2.785  -4.943
  115    QB   PRO  12           QB       PRO  12  14.974   4.999  -2.730
  116    QG   PRO  12           QG       PRO  12  16.855   5.120  -4.049
  117    QD   PRO  12           QD       PRO  12  16.706   3.386  -5.551
  118    OH   TYR  13           OH       TYR  13   6.762   9.372  -6.645
  119    H    TYR  13           HN       TYR  13  13.061   4.909  -5.216
  120    HA   TYR  13           HA       TYR  13  10.763   5.794  -4.158
  121   1HB   TYR  13          2HB       TYR  13  11.633   5.635  -6.681
  122   2HB   TYR  13          3HB       TYR  13  10.379   4.406  -6.782
  123    HD1  TYR  13           HD1      TYR  13   8.052   5.167  -5.598
  124    HD2  TYR  13           HD2      TYR  13  11.003   7.841  -7.111
  125    HE1  TYR  13           HE1      TYR  13   6.372   6.946  -5.747
  126    HE2  TYR  13           HE2      TYR  13   9.319   9.608  -7.264
  127    HH   TYR  13           HH       TYR  13   7.081  10.028  -7.271
  128    QB   TYR  13           QB       TYR  13  11.006   5.021  -6.732
  129    QR   TYR  13           QR       TYR  13   8.687   7.391  -6.430
  130    H    CYS  14           HN       CYS  14  11.078   2.397  -5.141
  131    HA   CYS  14           HA       CYS  14   8.395   1.588  -4.840
  132   1HB   CYS  14          2HB       CYS  14  10.939   0.108  -4.168
  133   2HB   CYS  14          3HB       CYS  14   9.376  -0.647  -4.307
  134    QB   CYS  14           QB       CYS  14  10.158  -0.269  -4.237
  135    H    VAL  15           HN       VAL  15  10.879   1.839  -2.360
  136    HA   VAL  15           HA       VAL  15   9.424   0.655  -0.225
  137    HB   VAL  15           HB       VAL  15  11.609   2.763  -0.199
  138   1HG1  VAL  15          3HG1      VAL  15  10.324   2.698   1.946
  139   2HG1  VAL  15          1HG1      VAL  15  10.585   0.961   2.037
  140   3HG1  VAL  15          2HG1      VAL  15  11.952   2.064   2.153
  141   1HG2  VAL  15          1HG2      VAL  15  11.645  -0.267   0.112
  142   2HG2  VAL  15          2HG2      VAL  15  12.224   0.628  -1.287
  143   3HG2  VAL  15          3HG2      VAL  15  13.049   0.785   0.262
  144    QG1  VAL  15           QG1      VAL  15  10.954   1.908   2.045
  145    QG2  VAL  15           QG2      VAL  15  12.306   0.382  -0.304
  146    QQG  VAL  15           QQG      VAL  15  11.630   1.145   0.871
  147    NH1  ARG  16           NH1      ARG  16   6.791   9.176   1.261
  148    NH2  ARG  16           NH2      ARG  16   6.018   7.113   1.675
  149    H    ARG  16           HN       ARG  16   9.429   3.914  -1.533
  150    HA   ARG  16           HA       ARG  16   8.216   5.278   0.580
  151   1HB   ARG  16          2HB       ARG  16   8.018   5.687  -2.380
  152   2HB   ARG  16          3HB       ARG  16   7.124   6.720  -1.268
  153   1HG   ARG  16          2HG       ARG  16  10.043   6.204  -0.723
  154   2HG   ARG  16          3HG       ARG  16   9.619   7.344  -1.990
  155   1HD   ARG  16          2HD       ARG  16   9.948   8.319   0.378
  156   2HD   ARG  16          3HD       ARG  16   8.488   8.792  -0.479
  157    HE   ARG  16           HE       ARG  16   8.514   6.687   1.700
  158   1HH1  ARG  16          2HH1      ARG  16   7.562   9.784   1.097
  159   2HH1  ARG  16          1HH1      ARG  16   5.864   9.547   1.347
  160   1HH2  ARG  16          2HH2      ARG  16   6.196   6.124   1.812
  161   2HH2  ARG  16          1HH2      ARG  16   5.092   7.473   1.804
  162    QB   ARG  16           QB       ARG  16   7.571   6.204  -1.824
  163    QG   ARG  16           QG       ARG  16   9.831   6.774  -1.356
  164    QD   ARG  16           QD       ARG  16   9.218   8.555  -0.050
  165    QH1  ARG  16           QH1      ARG  16   6.713   9.666   1.222
  166    QH2  ARG  16           QH2      ARG  16   5.644   6.799   1.808
  167    H    ALA  17           HN       ALA  17   6.558   3.583  -2.024
  168    HA   ALA  17           HA       ALA  17   3.888   4.078  -1.122
  169   1HB   ALA  17          3HB       ALA  17   5.003   1.638  -2.558
  170   2HB   ALA  17          1HB       ALA  17   3.296   2.052  -2.439
  171   3HB   ALA  17          2HB       ALA  17   4.393   3.097  -3.332
  172    QB   ALA  17           QB       ALA  17   4.231   2.262  -2.777
  173    H    LYS  18           HN       LYS  18   6.180   1.539  -0.373
  174    HA   LYS  18           HA       LYS  18   4.548  -0.086   1.259
  175   1HB   LYS  18          2HB       LYS  18   6.665  -0.736   0.227
  176   2HB   LYS  18          3HB       LYS  18   7.521   0.442   1.197
  177   1HG   LYS  18          2HG       LYS  18   6.434  -0.870   3.216
  178   2HG   LYS  18          3HG       LYS  18   6.322  -2.164   2.027
  179   1HD   LYS  18          2HD       LYS  18   8.693  -1.941   1.503
  180   2HD   LYS  18          3HD       LYS  18   8.848  -0.588   2.623
  181   1HE   LYS  18          2HE       LYS  18   8.065  -3.431   3.374
  182   2HE   LYS  18          3HE       LYS  18   9.589  -2.633   3.765
  183   1HZ   LYS  18          3HZ       LYS  18   7.648  -0.892   4.643
  184   2HZ   LYS  18          1HZ       LYS  18   7.051  -2.428   5.073
  185   3HZ   LYS  18          2HZ       LYS  18   8.578  -1.923   5.625
  186    QB   LYS  18           QB       LYS  18   7.093  -0.147   0.712
  187    QG   LYS  18           QG       LYS  18   6.378  -1.517   2.621
  188    QD   LYS  18           QD       LYS  18   8.770  -1.265   2.063
  189    QE   LYS  18           QE       LYS  18   8.827  -3.032   3.570
  190    QZ   LYS  18           QZ       LYS  18   7.759  -1.747   5.114
  191    H    ASP  19           HN       ASP  19   6.950   2.397   2.309
  192    HA   ASP  19           HA       ASP  19   6.534   1.962   5.060
  193   1HB   ASP  19          2HB       ASP  19   7.540   4.101   5.451
  194   2HB   ASP  19          3HB       ASP  19   8.358   3.355   4.105
  195    QB   ASP  19           QB       ASP  19   7.949   3.728   4.778
  196    H    LEU  20           HN       LEU  20   4.594   3.914   2.827
  197    HA   LEU  20           HA       LEU  20   3.004   5.189   4.815
  198   1HB   LEU  20          2HB       LEU  20   2.873   5.702   2.387
  199   2HB   LEU  20          3HB       LEU  20   2.054   4.181   2.109
  200    HG   LEU  20           HG       LEU  20   0.152   4.917   3.508
  201   1HD1  LEU  20          2HD1      LEU  20   1.763   7.481   3.840
  202   2HD1  LEU  20          3HD1      LEU  20   0.080   7.283   4.322
  203   3HD1  LEU  20          1HD1      LEU  20   1.336   6.351   5.123
  204   1HD2  LEU  20          1HD2      LEU  20   1.005   6.973   1.434
  205   2HD2  LEU  20          2HD2      LEU  20   0.103   5.496   1.119
  206   3HD2  LEU  20          3HD2      LEU  20  -0.634   6.790   2.052
  207    QB   LEU  20           QB       LEU  20   2.464   4.941   2.248
  208    QD1  LEU  20           QD1      LEU  20   1.060   7.038   4.428
  209    QD2  LEU  20           QD2      LEU  20   0.158   6.420   1.535
  210    QQD  LEU  20           QQD      LEU  20   0.609   6.729   2.982
  211    H    ALA  21           HN       ALA  21   2.630   1.983   3.366
  212    HA   ALA  21           HA       ALA  21   0.257   1.335   4.925
  213   1HB   ALA  21          2HB       ALA  21   2.124  -0.468   3.339
  214   2HB   ALA  21          3HB       ALA  21   0.559  -0.952   3.984
  215   3HB   ALA  21          1HB       ALA  21   0.651   0.278   2.730
  216    QB   ALA  21           QB       ALA  21   1.112  -0.381   3.351
  217    H    GLU  22           HN       GLU  22   3.675   0.324   5.090
  218    HA   GLU  22           HA       GLU  22   3.390  -1.372   7.384
  219   1HB   GLU  22          2HB       GLU  22   5.424  -1.191   5.884
  220   2HB   GLU  22          3HB       GLU  22   5.793   0.344   6.647
  221   1HG   GLU  22          2HG       GLU  22   6.270  -0.648   8.721
  222   2HG   GLU  22          3HG       GLU  22   5.382  -2.122   8.345
  223    QB   GLU  22           QB       GLU  22   5.609  -0.424   6.265
  224    QG   GLU  22           QG       GLU  22   5.826  -1.385   8.533
  225    H    LYS  23           HN       LYS  23   4.000   2.037   6.975
  226    HA   LYS  23           HA       LYS  23   4.268   2.733   9.739
  227   1HB   LYS  23          2HB       LYS  23   4.916   4.109   7.772
  228   2HB   LYS  23          3HB       LYS  23   3.218   4.403   7.420
  229   1HG   LYS  23          2HG       LYS  23   3.053   5.442   9.733
  230   2HG   LYS  23          3HG       LYS  23   4.797   5.278   9.861
  231   1HD   LYS  23          2HD       LYS  23   3.350   6.779   7.641
  232   2HD   LYS  23          3HD       LYS  23   4.088   7.541   9.036
  233   1HE   LYS  23          2HE       LYS  23   5.689   7.737   7.267
  234   2HE   LYS  23          3HE       LYS  23   6.295   6.475   8.327
  235   1HZ   LYS  23          1HZ       LYS  23   4.675   5.264   6.388
  236   2HZ   LYS  23          2HZ       LYS  23   5.741   6.305   5.566
  237   3HZ   LYS  23          3HZ       LYS  23   6.341   5.102   6.591
  238    QB   LYS  23           QB       LYS  23   4.067   4.256   7.596
  239    QG   LYS  23           QG       LYS  23   3.925   5.360   9.797
  240    QD   LYS  23           QD       LYS  23   3.719   7.160   8.339
  241    QE   LYS  23           QE       LYS  23   5.992   7.106   7.797
  242    QZ   LYS  23           QZ       LYS  23   5.586   5.557   6.182
  243    H    LEU  24           HN       LEU  24   1.462   3.052   7.496
  244    HA   LEU  24           HA       LEU  24  -0.519   3.736   9.326
  245   1HB   LEU  24          2HB       LEU  24  -0.621   1.920   6.921
  246   2HB   LEU  24          3HB       LEU  24  -2.063   2.264   7.863
  247    HG   LEU  24           HG       LEU  24  -0.295   4.513   6.874
  248   1HD1  LEU  24          1HD1      LEU  24  -2.635   3.214   5.426
  249   2HD1  LEU  24          2HD1      LEU  24  -1.811   4.687   4.927
  250   3HD1  LEU  24          3HD1      LEU  24  -0.955   3.154   4.907
  251   1HD2  LEU  24          3HD2      LEU  24  -3.240   4.289   7.598
  252   2HD2  LEU  24          1HD2      LEU  24  -1.988   5.003   8.613
  253   3HD2  LEU  24          2HD2      LEU  24  -2.423   5.765   7.088
  254    QB   LEU  24           QB       LEU  24  -1.342   2.092   7.392
  255    QD1  LEU  24           QD1      LEU  24  -1.800   3.685   5.087
  256    QD2  LEU  24           QD2      LEU  24  -2.550   5.019   7.767
  257    QQD  LEU  24           QQD      LEU  24  -2.175   4.352   6.427
  258    H    SER  25           HN       SER  25   0.585   0.485   8.589
  259    HA   SER  25           HA       SER  25  -1.064  -1.016  10.342
  260   1HB   SER  25          2HB       SER  25   1.839  -1.608   9.616
  261   2HB   SER  25          3HB       SER  25   0.648  -2.784  10.200
  262    HG   SER  25           HG       SER  25   0.497  -1.209   7.834
  263    QB   SER  25           QB       SER  25   1.243  -2.196   9.908
  264    H    ASN  26           HN       ASN  26   1.340   1.173  11.172
  265    HA   ASN  26           HA       ASN  26   1.667   0.003  13.902
  266   1HB   ASN  26          2HB       ASN  26   3.689   0.369  12.315
  267   2HB   ASN  26          3HB       ASN  26   3.453   2.086  12.609
  268   1HD2  ASN  26          2HD2      ASN  26   5.242   1.878  15.631
  269   2HD2  ASN  26          1HD2      ASN  26   4.736   2.827  14.315
  270    QB   ASN  26           QB       ASN  26   3.571   1.227  12.462
  271    QD2  ASN  26           QD2      ASN  26   4.989   2.353  14.973
  272    H    GLU  27           HN       GLU  27   1.188   2.987  12.111
  273    HA   GLU  27           HA       GLU  27   0.809   4.703  14.409
  274   1HB   GLU  27          2HB       GLU  27   0.010   6.356  12.661
  275   2HB   GLU  27          3HB       GLU  27   1.566   5.654  12.253
  276   1HG   GLU  27          2HG       GLU  27   0.430   4.072  10.805
  277   2HG   GLU  27          3HG       GLU  27  -1.124   4.760  11.204
  278    QB   GLU  27           QB       GLU  27   0.788   6.005  12.457
  279    QG   GLU  27           QG       GLU  27  -0.347   4.416  11.005
  280    NH1  ARG  28           NH1      ARG  28  -8.566   2.505  11.875
  281    NH2  ARG  28           NH2      ARG  28  -8.447   1.679   9.746
  282    H    ARG  28           HN       ARG  28  -1.351   2.957  12.244
  283    HA   ARG  28           HA       ARG  28  -3.675   3.940  13.859
  284   1HB   ARG  28          2HB       ARG  28  -3.336   4.264  11.178
  285   2HB   ARG  28          3HB       ARG  28  -4.137   2.704  11.181
  286   1HG   ARG  28          2HG       ARG  28  -5.815   3.929  12.868
  287   2HG   ARG  28          3HG       ARG  28  -5.166   5.374  12.117
  288   1HD   ARG  28          2HD       ARG  28  -7.138   4.739  10.863
  289   2HD   ARG  28          3HD       ARG  28  -5.739   4.380   9.858
  290    HE   ARG  28           HE       ARG  28  -5.977   1.958  10.661
  291   1HH1  ARG  28          2HH1      ARG  28  -8.101   2.954  12.651
  292   2HH1  ARG  28          1HH1      ARG  28  -9.503   2.191  11.991
  293   1HH2  ARG  28          2HH2      ARG  28  -7.880   1.483   8.947
  294   2HH2  ARG  28          1HH2      ARG  28  -9.407   1.357   9.761
  295    QB   ARG  28           QB       ARG  28  -3.736   3.484  11.180
  296    QG   ARG  28           QG       ARG  28  -5.490   4.652  12.492
  297    QD   ARG  28           QD       ARG  28  -6.438   4.559  10.360
  298    QH1  ARG  28           QH1      ARG  28  -8.802   2.572  12.321
  299    QH2  ARG  28           QH2      ARG  28  -8.643   1.420   9.354
  300    H    ASP  29           HN       ASP  29  -5.558   2.192  13.080
  301    HA   ASP  29           HA       ASP  29  -4.701  -0.493  13.960
  302   1HB   ASP  29          2HB       ASP  29  -6.897  -0.554  15.160
  303   2HB   ASP  29          3HB       ASP  29  -5.955   0.826  15.724
  304    QB   ASP  29           QB       ASP  29  -6.426   0.136  15.442
  305    H    ASP  30           HN       ASP  30  -7.108  -1.639  13.461
  306    HA   ASP  30           HA       ASP  30  -8.040  -2.821  11.586
  307   1HB   ASP  30          2HB       ASP  30  -9.745  -1.213  12.222
  308   2HB   ASP  30          3HB       ASP  30  -8.923   0.066  11.360
  309    QB   ASP  30           QB       ASP  30  -9.334  -0.574  11.791
  310    H    PHE  31           HN       PHE  31  -5.349  -2.314  10.967
  311    HA   PHE  31           HA       PHE  31  -5.571  -1.897   8.038
  312   1HB   PHE  31          2HB       PHE  31  -4.891   0.295   9.112
  313   2HB   PHE  31          3HB       PHE  31  -3.431  -0.501   9.675
  314    HD1  PHE  31          1HD       PHE  31  -1.784  -1.384   7.982
  315    HD2  PHE  31          2HD       PHE  31  -5.150   0.914   6.786
  316    HE1  PHE  31          1HE       PHE  31  -0.713  -0.932   5.823
  317    HE2  PHE  31          2HE       PHE  31  -4.100   1.331   4.612
  318    HZ   PHE  31           HZ       PHE  31  -1.882   0.406   4.121
  319    QB   PHE  31           QB       PHE  31  -4.161  -0.103   9.394
  320    QR   PHE  31           QR       PHE  31  -2.937  -0.018   6.301
  321    H    GLN  32           HN       GLN  32  -5.193  -4.051   7.750
  322    HA   GLN  32           HA       GLN  32  -2.560  -5.055   8.738
  323   1HB   GLN  32          2HB       GLN  32  -4.748  -6.758   7.522
  324   2HB   GLN  32          3HB       GLN  32  -3.403  -7.262   8.538
  325   1HG   GLN  32          2HG       GLN  32  -5.894  -5.709   9.356
  326   2HG   GLN  32          3HG       GLN  32  -5.320  -7.239  10.009
  327   1HE2  GLN  32          2HE2      GLN  32  -2.518  -5.354  11.659
  328   2HE2  GLN  32          1HE2      GLN  32  -2.625  -6.649  10.561
  329    QB   GLN  32           QB       GLN  32  -4.075  -7.010   8.030
  330    QG   GLN  32           QG       GLN  32  -5.607  -6.474   9.683
  331    QE2  GLN  32           QE2      GLN  32  -2.572  -6.002  11.110
  332    OH   TYR  33           OH       TYR  33   5.422  -3.341   5.089
  333    H    TYR  33           HN       TYR  33  -1.016  -4.983   7.322
  334    HA   TYR  33           HA       TYR  33  -1.724  -4.986   4.428
  335   1HB   TYR  33          2HB       TYR  33  -0.606  -3.047   4.134
  336   2HB   TYR  33          3HB       TYR  33  -0.619  -2.897   5.881
  337    HD1  TYR  33           HD1      TYR  33   1.422  -3.690   7.199
  338    HD2  TYR  33           HD2      TYR  33   1.443  -3.456   2.949
  339    HE1  TYR  33           HE1      TYR  33   3.869  -3.598   7.212
  340    HE2  TYR  33           HE2      TYR  33   3.883  -3.338   2.973
  341    HH   TYR  33           HH       TYR  33   5.751  -3.680   5.945
  342    QB   TYR  33           QB       TYR  33  -0.613  -2.972   5.008
  343    QR   TYR  33           QR       TYR  33   2.654  -3.520   5.083
  344    H    GLN  34           HN       GLN  34  -0.303  -5.780   3.014
  345    HA   GLN  34           HA       GLN  34   1.822  -7.604   4.057
  346   1HB   GLN  34          2HB       GLN  34  -0.305  -8.817   3.321
  347   2HB   GLN  34          3HB       GLN  34  -0.066  -8.146   1.715
  348   1HG   GLN  34          2HG       GLN  34   0.826 -10.442   1.836
  349   2HG   GLN  34          3HG       GLN  34   2.137  -9.297   1.572
  350   1HE2  GLN  34          2HE2      GLN  34   1.903 -11.336   5.098
  351   2HE2  GLN  34          1HE2      GLN  34   0.626 -11.411   3.985
  352    QB   GLN  34           QB       GLN  34  -0.185  -8.481   2.518
  353    QG   GLN  34           QG       GLN  34   1.482  -9.869   1.704
  354    QE2  GLN  34           QE2      GLN  34   1.264 -11.373   4.542
  355    OH   TYR  35           OH       TYR  35   7.763  -2.331  -2.322
  356    H    TYR  35           HN       TYR  35   3.648  -7.727   2.570
  357    HA   TYR  35           HA       TYR  35   3.571  -5.472   0.578
  358   1HB   TYR  35          2HB       TYR  35   5.242  -5.246   2.522
  359   2HB   TYR  35          3HB       TYR  35   6.101  -6.616   1.819
  360    HD1  TYR  35           HD2      TYR  35   4.479  -3.473   0.550
  361    HD2  TYR  35           HD1      TYR  35   7.908  -5.994   0.391
  362    HE1  TYR  35           HE2      TYR  35   5.461  -2.034  -1.164
  363    HE2  TYR  35           HE1      TYR  35   8.920  -4.491  -1.269
  364    HH   TYR  35           HH       TYR  35   8.657  -2.629  -2.564
  365    QB   TYR  35           QB       TYR  35   5.671  -5.931   2.170
  366    QR   TYR  35           QR       TYR  35   6.692  -3.998  -0.373
  367    H    VAL  36           HN       VAL  36   4.329  -5.845  -1.449
  368    HA   VAL  36           HA       VAL  36   5.050  -8.666  -2.103
  369    HB   VAL  36           HB       VAL  36   2.879  -6.858  -3.100
  370   1HG1  VAL  36          2HG1      VAL  36   4.373  -7.063  -5.128
  371   2HG1  VAL  36          3HG1      VAL  36   4.337  -8.815  -4.948
  372   3HG1  VAL  36          1HG1      VAL  36   2.861  -7.936  -5.332
  373   1HG2  VAL  36          3HG2      VAL  36   2.466  -8.887  -1.772
  374   2HG2  VAL  36          1HG2      VAL  36   1.756  -9.026  -3.378
  375   3HG2  VAL  36          2HG2      VAL  36   3.257  -9.870  -2.999
  376    QG1  VAL  36           QG1      VAL  36   3.857  -7.938  -5.136
  377    QG2  VAL  36           QG2      VAL  36   2.493  -9.261  -2.716
  378    QQG  VAL  36           QQG      VAL  36   3.175  -8.600  -3.926
  379    H    ASP  37           HN       ASP  37   6.489  -8.827  -4.011
  380    HA   ASP  37           HA       ASP  37   8.084  -6.340  -4.450
  381   1HB   ASP  37          2HB       ASP  37   9.327  -7.517  -2.876
  382   2HB   ASP  37          3HB       ASP  37   8.855  -9.077  -3.502
  383    QB   ASP  37           QB       ASP  37   9.091  -8.297  -3.189
  384    H    ILE  38           HN       ILE  38   6.178  -7.197  -6.226
  385    HA   ILE  38           HA       ILE  38   5.690  -8.106  -8.322
  386    HB   ILE  38           HB       ILE  38   6.905  -6.785 -10.085
  387   1HG1  ILE  38          2HG1      ILE  38   8.049  -4.915  -8.149
  388   2HG1  ILE  38          3HG1      ILE  38   8.874  -6.457  -8.113
  389   1HG2  ILE  38          2HG2      ILE  38   4.835  -6.043  -8.973
  390   2HG2  ILE  38          3HG2      ILE  38   5.780  -5.327  -7.674
  391   3HG2  ILE  38          1HG2      ILE  38   5.885  -4.672  -9.304
  392   1HD1  ILE  38          2HD1      ILE  38   8.321  -4.819 -10.613
  393   2HD1  ILE  38          3HD1      ILE  38   9.882  -4.958  -9.804
  394   3HD1  ILE  38          1HD1      ILE  38   9.161  -6.370 -10.576
  395    QG1  ILE  38           QG1      ILE  38   8.462  -5.686  -8.131
  396    QG2  ILE  38           QG2      ILE  38   5.500  -5.347  -8.650
  397    QD1  ILE  38           QD1      ILE  38   9.121  -5.382 -10.331
  398    NH1  ARG  39           NH1      ARG  39  12.447 -10.949  -6.291
  399    NH2  ARG  39           NH2      ARG  39  12.891  -8.733  -6.521
  400    H    ARG  39           HN       ARG  39   9.241  -8.054  -8.398
  401    HA   ARG  39           HA       ARG  39   9.492 -10.118 -10.355
  402   1HB   ARG  39          2HB       ARG  39  11.418  -8.745  -9.785
  403   2HB   ARG  39          3HB       ARG  39  11.311  -9.225  -8.105
  404   1HG   ARG  39          2HG       ARG  39  11.838 -11.574  -8.744
  405   2HG   ARG  39          3HG       ARG  39  11.916 -11.085 -10.427
  406   1HD   ARG  39          2HD       ARG  39  14.188 -11.157  -9.682
  407   2HD   ARG  39          3HD       ARG  39  13.774  -9.454  -9.740
  408    HE   ARG  39           HE       ARG  39  14.907 -10.371  -7.521
  409   1HH1  ARG  39          2HH1      ARG  39  12.623 -11.892  -6.560
  410   2HH1  ARG  39          1HH1      ARG  39  11.764 -10.740  -5.580
  411   1HH2  ARG  39          2HH2      ARG  39  13.376  -7.999  -6.984
  412   2HH2  ARG  39          1HH2      ARG  39  12.227  -8.506  -5.790
  413    QB   ARG  39           QB       ARG  39  11.365  -8.985  -8.945
  414    QG   ARG  39           QG       ARG  39  11.877 -11.329  -9.585
  415    QD   ARG  39           QD       ARG  39  13.981 -10.305  -9.711
  416    QH1  ARG  39           QH1      ARG  39  12.193 -11.316  -6.070
  417    QH2  ARG  39           QH2      ARG  39  12.802  -8.252  -6.387
  418    H    ALA  40           HN       ALA  40   9.647 -10.215  -6.820
  419    HA   ALA  40           HA       ALA  40  10.002 -12.902  -6.271
  420   1HB   ALA  40          3HB       ALA  40   7.967 -11.061  -4.965
  421   2HB   ALA  40          1HB       ALA  40   8.549 -12.566  -4.269
  422   3HB   ALA  40          2HB       ALA  40   9.654 -11.220  -4.505
  423    QB   ALA  40           QB       ALA  40   8.723 -11.616  -4.580
  424    H    GLU  41           HN       GLU  41   6.960 -11.396  -7.292
  425    HA   GLU  41           HA       GLU  41   5.470 -13.933  -7.197
  426   1HB   GLU  41          2HB       GLU  41   4.562 -11.586  -8.857
  427   2HB   GLU  41          3HB       GLU  41   3.596 -12.713  -7.935
  428   1HG   GLU  41          2HG       GLU  41   4.114 -11.628  -5.866
  429   2HG   GLU  41          3HG       GLU  41   5.378 -10.652  -6.612
  430    QB   GLU  41           QB       GLU  41   4.079 -12.149  -8.396
  431    QG   GLU  41           QG       GLU  41   4.746 -11.140  -6.239
  432    H    GLY  42           HN       GLY  42   6.747 -11.755  -9.629
  433   1HA   GLY  42          1HA       GLY  42   7.943 -12.614 -11.607
  434   2HA   GLY  42          2HA       GLY  42   6.847 -13.999 -11.607
  435    QA   GLY  42           QA       GLY  42   7.395 -13.306 -11.607
  436    H    ILE  43           HN       ILE  43   6.211 -10.535 -11.232
  437    HA   ILE  43           HA       ILE  43   4.027 -10.720 -13.206
  438    HB   ILE  43           HB       ILE  43   4.928  -8.207 -11.771
  439   1HG1  ILE  43          2HG1      ILE  43   4.711  -9.943 -10.019
  440   2HG1  ILE  43          3HG1      ILE  43   3.425  -8.762  -9.902
  441   1HG2  ILE  43          2HG2      ILE  43   2.256  -9.226 -12.796
  442   2HG2  ILE  43          3HG2      ILE  43   2.471  -7.745 -11.880
  443   3HG2  ILE  43          1HG2      ILE  43   3.211  -7.907 -13.463
  444   1HD1  ILE  43          1HD1      ILE  43   3.172 -11.486 -11.230
  445   2HD1  ILE  43          2HD1      ILE  43   2.535 -11.049  -9.653
  446   3HD1  ILE  43          3HD1      ILE  43   1.884 -10.293 -11.097
  447    QG1  ILE  43           QG1      ILE  43   4.068  -9.353  -9.960
  448    QG2  ILE  43           QG2      ILE  43   2.646  -8.292 -12.713
  449    QD1  ILE  43           QD1      ILE  43   2.530 -10.942 -10.660
  450    H    THR  44           HN       THR  44   3.809  -9.292 -15.004
  451    HA   THR  44           HA       THR  44   6.373  -8.144 -16.035
  452    HB   THR  44           HB       THR  44   5.529  -8.844 -18.341
  453    HG1  THR  44          1HG       THR  44   3.324  -8.960 -17.505
  454   1HG2  THR  44          2HG2      THR  44   7.092 -10.338 -16.984
  455   2HG2  THR  44          3HG2      THR  44   5.670 -11.119 -16.303
  456   3HG2  THR  44          1HG2      THR  44   6.003 -11.244 -18.028
  457    QG2  THR  44           QG2      THR  44   6.255 -10.900 -17.105
  458    H    LYS  45           HN       LYS  45   5.901  -6.028 -15.531
  459    HA   LYS  45           HA       LYS  45   4.355  -4.127 -15.311
  460   1HB   LYS  45          2HB       LYS  45   6.454  -3.800 -16.622
  461   2HB   LYS  45          3HB       LYS  45   5.551  -4.115 -18.096
  462   1HG   LYS  45          2HG       LYS  45   4.059  -2.178 -17.590
  463   2HG   LYS  45          3HG       LYS  45   4.968  -1.874 -16.115
  464   1HD   LYS  45          2HD       LYS  45   6.623  -0.805 -17.231
  465   2HD   LYS  45          3HD       LYS  45   6.769  -2.094 -18.415
  466   1HE   LYS  45          2HE       LYS  45   4.768   0.201 -18.453
  467   2HE   LYS  45          3HE       LYS  45   6.110  -0.049 -19.565
  468   1HZ   LYS  45          3HZ       LYS  45   4.506  -2.372 -19.518
  469   2HZ   LYS  45          1HZ       LYS  45   3.505  -1.034 -19.784
  470   3HZ   LYS  45          2HZ       LYS  45   4.811  -1.349 -20.809
  471    QB   LYS  45           QB       LYS  45   6.002  -3.957 -17.359
  472    QG   LYS  45           QG       LYS  45   4.514  -2.026 -16.852
  473    QD   LYS  45           QD       LYS  45   6.696  -1.450 -17.823
  474    QE   LYS  45           QE       LYS  45   5.439   0.076 -19.009
  475    QZ   LYS  45           QZ       LYS  45   4.274  -1.585 -20.037
  476    H    GLU  46           HN       GLU  46   3.828  -5.288 -18.693
  477    HA   GLU  46           HA       GLU  46   1.474  -3.843 -19.154
  478   1HB   GLU  46          2HB       GLU  46   1.649  -6.685 -20.134
  479   2HB   GLU  46          3HB       GLU  46   1.052  -5.262 -20.976
  480   1HG   GLU  46          2HG       GLU  46   3.922  -6.082 -20.483
  481   2HG   GLU  46          3HG       GLU  46   3.144  -5.663 -21.999
  482    QB   GLU  46           QB       GLU  46   1.350  -5.973 -20.555
  483    QG   GLU  46           QG       GLU  46   3.533  -5.873 -21.241
  484    H    ASP  47           HN       ASP  47   1.789  -6.966 -17.620
  485    HA   ASP  47           HA       ASP  47  -0.968  -7.556 -17.238
  486   1HB   ASP  47          2HB       ASP  47   0.610  -9.301 -16.941
  487   2HB   ASP  47          3HB       ASP  47   1.592  -8.342 -15.848
  488    QB   ASP  47           QB       ASP  47   1.101  -8.822 -16.394
  489    H    LEU  48           HN       LEU  48   1.319  -5.662 -15.343
  490    HA   LEU  48           HA       LEU  48  -0.401  -5.250 -13.058
  491   1HB   LEU  48          2HB       LEU  48   2.088  -3.950 -14.144
  492   2HB   LEU  48          3HB       LEU  48   1.183  -3.095 -12.899
  493    HG   LEU  48           HG       LEU  48   1.756  -6.030 -12.533
  494   1HD1  LEU  48          1HD1      LEU  48   3.725  -3.799 -11.932
  495   2HD1  LEU  48          2HD1      LEU  48   3.888  -5.469 -11.406
  496   3HD1  LEU  48          3HD1      LEU  48   3.953  -5.077 -13.118
  497   1HD2  LEU  48          2HD2      LEU  48   0.283  -4.815 -10.948
  498   2HD2  LEU  48          3HD2      LEU  48   1.761  -5.346 -10.157
  499   3HD2  LEU  48          1HD2      LEU  48   1.578  -3.665 -10.633
  500    QB   LEU  48           QB       LEU  48   1.635  -3.522 -13.522
  501    QD1  LEU  48           QD1      LEU  48   3.855  -4.781 -12.152
  502    QD2  LEU  48           QD2      LEU  48   1.207  -4.609 -10.580
  503    QQD  LEU  48           QQD      LEU  48   2.531  -4.695 -11.366
  504    H    GLN  49           HN       GLN  49   0.276  -3.371 -15.981
  505    HA   GLN  49           HA       GLN  49  -1.473  -1.189 -15.561
  506   1HB   GLN  49          2HB       GLN  49  -0.973  -2.733 -18.135
  507   2HB   GLN  49          3HB       GLN  49  -1.868  -1.226 -18.075
  508   1HG   GLN  49          2HG       GLN  49   0.042   0.036 -17.475
  509   2HG   GLN  49          3HG       GLN  49   0.922  -1.375 -16.908
  510   1HE2  GLN  49          2HE2      GLN  49   0.935  -2.067 -20.799
  511   2HE2  GLN  49          1HE2      GLN  49  -0.371  -2.458 -19.785
  512    QB   GLN  49           QB       GLN  49  -1.420  -1.979 -18.105
  513    QG   GLN  49           QG       GLN  49   0.482  -0.670 -17.192
  514    QE2  GLN  49           QE2      GLN  49   0.282  -2.262 -20.292
  515    H    GLN  50           HN       GLN  50  -2.173  -4.454 -16.720
  516    HA   GLN  50           HA       GLN  50  -5.002  -4.126 -17.075
  517   1HB   GLN  50          2HB       GLN  50  -3.428  -6.651 -16.448
  518   2HB   GLN  50          3HB       GLN  50  -5.100  -6.626 -16.977
  519   1HG   GLN  50          2HG       GLN  50  -4.399  -5.485 -19.082
  520   2HG   GLN  50          3HG       GLN  50  -2.721  -5.575 -18.561
  521   1HE2  GLN  50          2HE2      GLN  50  -3.223  -9.378 -18.678
  522   2HE2  GLN  50          1HE2      GLN  50  -3.090  -8.327 -17.353
  523    QB   GLN  50           QB       GLN  50  -4.264  -6.638 -16.712
  524    QG   GLN  50           QG       GLN  50  -3.560  -5.530 -18.822
  525    QE2  GLN  50           QE2      GLN  50  -3.157  -8.853 -18.015
  526    H    LYS  51           HN       LYS  51  -3.377  -5.864 -14.371
  527    HA   LYS  51           HA       LYS  51  -5.757  -6.178 -12.860
  528   1HB   LYS  51          2HB       LYS  51  -4.181  -6.362 -10.868
  529   2HB   LYS  51          3HB       LYS  51  -4.025  -7.519 -12.152
  530   1HG   LYS  51          2HG       LYS  51  -2.198  -5.931 -13.066
  531   2HG   LYS  51          3HG       LYS  51  -2.270  -5.149 -11.512
  532   1HD   LYS  51          2HD       LYS  51  -0.499  -7.010 -11.759
  533   2HD   LYS  51          3HD       LYS  51  -1.550  -7.107 -10.354
  534   1HE   LYS  51          2HE       LYS  51  -1.158  -9.267 -11.761
  535   2HE   LYS  51          3HE       LYS  51  -2.793  -8.899 -11.237
  536   1HZ   LYS  51          2HZ       LYS  51  -2.232  -7.657 -13.733
  537   2HZ   LYS  51          3HZ       LYS  51  -1.882  -9.306 -13.819
  538   3HZ   LYS  51          1HZ       LYS  51  -3.446  -8.790 -13.364
  539    QB   LYS  51           QB       LYS  51  -4.103  -6.940 -11.510
  540    QG   LYS  51           QG       LYS  51  -2.234  -5.540 -12.289
  541    QD   LYS  51           QD       LYS  51  -1.025  -7.058 -11.057
  542    QE   LYS  51           QE       LYS  51  -1.975  -9.083 -11.499
  543    QZ   LYS  51           QZ       LYS  51  -2.520  -8.584 -13.639
  544    H    ALA  52           HN       ALA  52  -3.409  -3.582 -12.838
  545    HA   ALA  52           HA       ALA  52  -4.749  -2.226 -10.602
  546   1HB   ALA  52          2HB       ALA  52  -2.427  -1.440 -12.396
  547   2HB   ALA  52          3HB       ALA  52  -2.930  -0.558 -10.966
  548   3HB   ALA  52          1HB       ALA  52  -2.292  -2.181 -10.807
  549    QB   ALA  52           QB       ALA  52  -2.550  -1.393 -11.390
  550    H    GLY  53           HN       GLY  53  -4.044  -1.498 -13.970
  551   1HA   GLY  53          1HA       GLY  53  -5.718  -0.620 -15.501
  552   2HA   GLY  53          2HA       GLY  53  -6.555   0.092 -14.123
  553    QA   GLY  53           QA       GLY  53  -6.137  -0.264 -14.812
  554    H    LYS  54           HN       LYS  54  -4.730   1.400 -12.788
  555    HA   LYS  54           HA       LYS  54  -3.315   3.180 -14.705
  556   1HB   LYS  54          2HB       LYS  54  -4.259   5.199 -13.497
  557   2HB   LYS  54          3HB       LYS  54  -5.400   4.317 -14.502
  558   1HG   LYS  54          2HG       LYS  54  -6.471   3.323 -12.638
  559   2HG   LYS  54          3HG       LYS  54  -5.144   3.697 -11.549
  560   1HD   LYS  54          2HD       LYS  54  -5.861   6.206 -12.534
  561   2HD   LYS  54          3HD       LYS  54  -7.408   5.380 -12.419
  562   1HE   LYS  54          2HE       LYS  54  -6.783   6.616 -10.328
  563   2HE   LYS  54          3HE       LYS  54  -7.055   4.901 -10.066
  564   1HZ   LYS  54          1HZ       LYS  54  -4.345   5.172 -10.663
  565   2HZ   LYS  54          2HZ       LYS  54  -4.729   6.419  -9.557
  566   3HZ   LYS  54          3HZ       LYS  54  -5.067   4.821  -9.160
  567    QB   LYS  54           QB       LYS  54  -4.830   4.758 -14.000
  568    QG   LYS  54           QG       LYS  54  -5.807   3.510 -12.094
  569    QD   LYS  54           QD       LYS  54  -6.634   5.793 -12.476
  570    QE   LYS  54           QE       LYS  54  -6.919   5.758 -10.197
  571    QZ   LYS  54           QZ       LYS  54  -4.713   5.471  -9.793
  572    HA   PRO  55           HA       PRO  55  -0.225   3.980 -12.221
  573   1HB   PRO  55          2HB       PRO  55   1.500   1.962 -13.160
  574   2HB   PRO  55          3HB       PRO  55   0.957   2.134 -11.484
  575   1HG   PRO  55          2HG       PRO  55   0.250   0.044 -13.390
  576   2HG   PRO  55          3HG       PRO  55  -0.231   0.173 -11.695
  577   1HD   PRO  55          2HD       PRO  55  -1.793   0.847 -14.117
  578   2HD   PRO  55          3HD       PRO  55  -2.367   0.643 -12.452
  579    QB   PRO  55           QB       PRO  55   1.228   2.048 -12.322
  580    QG   PRO  55           QG       PRO  55   0.009   0.108 -12.542
  581    QD   PRO  55           QD       PRO  55  -2.080   0.745 -13.284
  582    H    VAL  56           HN       VAL  56   0.901   5.266 -13.714
  583    HA   VAL  56           HA       VAL  56   0.315   4.760 -16.600
  584    HB   VAL  56           HB       VAL  56   1.475   7.275 -15.479
  585   1HG1  VAL  56          3HG1      VAL  56  -0.240   6.671 -17.910
  586   2HG1  VAL  56          1HG1      VAL  56   0.374   8.263 -17.478
  587   3HG1  VAL  56          2HG1      VAL  56   1.493   6.984 -17.930
  588   1HG2  VAL  56          1HG2      VAL  56  -1.467   6.563 -15.675
  589   2HG2  VAL  56          2HG2      VAL  56  -0.570   6.855 -14.187
  590   3HG2  VAL  56          3HG2      VAL  56  -0.845   8.170 -15.320
  591    QG1  VAL  56           QG1      VAL  56   0.542   7.306 -17.773
  592    QG2  VAL  56           QG2      VAL  56  -0.961   7.196 -15.060
  593    QQG  VAL  56           QQG      VAL  56  -0.209   7.251 -16.417
  594    H    GLU  57           HN       GLU  57   2.794   4.689 -14.311
  595    HA   GLU  57           HA       GLU  57   4.850   4.605 -16.472
  596   1HB   GLU  57          2HB       GLU  57   6.436   5.268 -14.529
  597   2HB   GLU  57          3HB       GLU  57   5.362   6.504 -15.157
  598   1HG   GLU  57          2HG       GLU  57   4.599   4.814 -12.740
  599   2HG   GLU  57          3HG       GLU  57   5.466   6.337 -12.592
  600    QB   GLU  57           QB       GLU  57   5.899   5.886 -14.843
  601    QG   GLU  57           QG       GLU  57   5.033   5.575 -12.666
  602    H    THR  58           HN       THR  58   5.863   3.796 -13.344
  603    HA   THR  58           HA       THR  58   5.486   0.895 -13.834
  604    HB   THR  58           HB       THR  58   8.207   2.222 -13.348
  605    HG1  THR  58          1HG       THR  58   6.705   1.779 -15.497
  606   1HG2  THR  58          2HG2      THR  58   7.480  -0.686 -13.946
  607   2HG2  THR  58          3HG2      THR  58   9.106  -0.047 -13.718
  608   3HG2  THR  58          1HG2      THR  58   7.992  -0.123 -12.357
  609    QG2  THR  58           QG2      THR  58   8.193  -0.285 -13.340
  610    H    VAL  59           HN       VAL  59   7.061   3.185 -11.620
  611    HA   VAL  59           HA       VAL  59   5.894   1.610  -9.378
  612    HB   VAL  59           HB       VAL  59   8.311   3.468  -9.386
  613   1HG1  VAL  59          2HG1      VAL  59   7.221   3.262  -7.174
  614   2HG1  VAL  59          3HG1      VAL  59   7.328   1.506  -7.280
  615   3HG1  VAL  59          1HG1      VAL  59   8.795   2.474  -7.178
  616   1HG2  VAL  59          1HG2      VAL  59   8.706   1.413 -10.719
  617   2HG2  VAL  59          2HG2      VAL  59   9.654   1.397  -9.233
  618   3HG2  VAL  59          3HG2      VAL  59   8.186   0.428  -9.353
  619    QG1  VAL  59           QG1      VAL  59   7.781   2.414  -7.211
  620    QG2  VAL  59           QG2      VAL  59   8.849   1.079  -9.768
  621    QQG  VAL  59           QQG      VAL  59   8.315   1.747  -8.490
  622    HA   PRO  60           HA       PRO  60   5.293   1.638  -7.622
  623   1HB   PRO  60          2HB       PRO  60   3.826   2.443  -5.389
  624   2HB   PRO  60          3HB       PRO  60   5.586   2.445  -5.503
  625   1HG   PRO  60          2HG       PRO  60   3.836   4.724  -5.323
  626   2HG   PRO  60          3HG       PRO  60   5.593   4.733  -5.452
  627   1HD   PRO  60          2HD       PRO  60   3.568   5.178  -7.597
  628   2HD   PRO  60          3HD       PRO  60   5.270   5.673  -7.549
  629    QB   PRO  60           QB       PRO  60   4.706   2.444  -5.446
  630    QG   PRO  60           QG       PRO  60   4.714   4.728  -5.387
  631    QD   PRO  60           QD       PRO  60   4.419   5.426  -7.573
  632    H    GLN  61           HN       GLN  61   3.445   0.232  -6.782
  633    HA   GLN  61           HA       GLN  61   0.802   0.996  -7.964
  634   1HB   GLN  61          2HB       GLN  61   1.996  -1.792  -7.983
  635   2HB   GLN  61          3HB       GLN  61   0.511  -1.286  -8.767
  636   1HG   GLN  61          2HG       GLN  61   1.956  -1.201 -10.582
  637   2HG   GLN  61          3HG       GLN  61   2.185   0.435  -9.972
  638   1HE2  GLN  61          2HE2      GLN  61   5.269  -2.136  -9.897
  639   2HE2  GLN  61          1HE2      GLN  61   3.781  -2.553 -10.584
  640    QB   GLN  61           QB       GLN  61   1.253  -1.539  -8.375
  641    QG   GLN  61           QG       GLN  61   2.070  -0.383 -10.277
  642    QE2  GLN  61           QE2      GLN  61   4.525  -2.345 -10.240
  643    H    ILE  62           HN       ILE  62  -0.699   1.019  -6.388
  644    HA   ILE  62           HA       ILE  62  -0.412  -0.963  -4.160
  645    HB   ILE  62           HB       ILE  62  -1.403   1.902  -3.924
  646   1HG1  ILE  62          2HG1      ILE  62   0.703   1.911  -2.325
  647   2HG1  ILE  62          3HG1      ILE  62   1.227   0.560  -3.317
  648   1HG2  ILE  62          3HG2      ILE  62  -1.004  -0.273  -1.825
  649   2HG2  ILE  62          1HG2      ILE  62  -1.359   1.414  -1.463
  650   3HG2  ILE  62          2HG2      ILE  62  -2.538   0.431  -2.319
  651   1HD1  ILE  62          3HD1      ILE  62   0.400   3.270  -4.394
  652   2HD1  ILE  62          1HD1      ILE  62   2.066   2.755  -4.161
  653   3HD1  ILE  62          2HD1      ILE  62   1.052   1.948  -5.341
  654    QG1  ILE  62           QG1      ILE  62   0.965   1.235  -2.821
  655    QG2  ILE  62           QG2      ILE  62  -1.634   0.524  -1.869
  656    QD1  ILE  62           QD1      ILE  62   1.173   2.658  -4.632
  657    H    PHE  63           HN       PHE  63  -2.147  -1.803  -3.319
  658    HA   PHE  63           HA       PHE  63  -4.809  -1.356  -4.617
  659   1HB   PHE  63          2HB       PHE  63  -3.414  -3.961  -3.908
  660   2HB   PHE  63          3HB       PHE  63  -5.156  -3.868  -4.135
  661    HD1  PHE  63          2HD       PHE  63  -2.032  -2.784  -5.911
  662    HD2  PHE  63          1HD       PHE  63  -5.968  -4.360  -6.266
  663    HE1  PHE  63          2HE       PHE  63  -1.737  -2.953  -8.342
  664    HE2  PHE  63          1HE       PHE  63  -5.670  -4.562  -8.699
  665    HZ   PHE  63           HZ       PHE  63  -3.573  -3.816  -9.735
  666    QB   PHE  63           QB       PHE  63  -4.285  -3.915  -4.021
  667    QR   PHE  63           QR       PHE  63  -3.852  -3.664  -7.304
  668    H    VAL  64           HN       VAL  64  -6.438  -1.090  -3.125
  669    HA   VAL  64           HA       VAL  64  -5.812  -1.891  -0.311
  670    HB   VAL  64           HB       VAL  64  -6.995   0.801  -1.113
  671   1HG1  VAL  64          2HG1      VAL  64  -6.510  -0.451   1.610
  672   2HG1  VAL  64          3HG1      VAL  64  -6.964   1.221   1.336
  673   3HG1  VAL  64          1HG1      VAL  64  -8.085  -0.060   0.915
  674   1HG2  VAL  64          3HG2      VAL  64  -4.497   0.635  -1.270
  675   2HG2  VAL  64          1HG2      VAL  64  -5.030   1.731   0.002
  676   3HG2  VAL  64          2HG2      VAL  64  -4.466   0.113   0.409
  677    QG1  VAL  64           QG1      VAL  64  -7.186   0.237   1.287
  678    QG2  VAL  64           QG2      VAL  64  -4.664   0.826  -0.286
  679    QQG  VAL  64           QQG      VAL  64  -5.925   0.532   0.500
  680    H    ASP  65           HN       ASP  65  -7.503  -2.418   0.941
  681    HA   ASP  65           HA       ASP  65  -9.573  -3.340   1.458
  682   1HB   ASP  65          2HB       ASP  65 -10.567  -1.183   1.186
  683   2HB   ASP  65          3HB       ASP  65 -10.387  -1.219  -0.553
  684    QB   ASP  65           QB       ASP  65 -10.477  -1.201   0.317
  685    H    GLN  66           HN       GLN  66 -10.473  -2.786  -1.827
  686    HA   GLN  66           HA       GLN  66  -9.891  -5.616  -2.508
  687   1HB   GLN  66          2HB       GLN  66 -12.563  -4.225  -2.883
  688   2HB   GLN  66          3HB       GLN  66 -12.180  -5.843  -3.465
  689   1HG   GLN  66          2HG       GLN  66 -12.061  -6.734  -1.272
  690   2HG   GLN  66          3HG       GLN  66 -11.825  -5.154  -0.534
  691   1HE2  GLN  66          2HE2      GLN  66 -15.244  -4.429  -0.310
  692   2HE2  GLN  66          1HE2      GLN  66 -13.658  -3.851  -0.111
  693    QB   GLN  66           QB       GLN  66 -12.371  -5.034  -3.174
  694    QG   GLN  66           QG       GLN  66 -11.943  -5.944  -0.903
  695    QE2  GLN  66           QE2      GLN  66 -14.451  -4.140  -0.210
  696    H    GLN  67           HN       GLN  67 -10.007  -2.336  -3.531
  697    HA   GLN  67           HA       GLN  67  -9.771  -3.170  -6.363
  698   1HB   GLN  67          2HB       GLN  67 -10.470  -0.905  -6.887
  699   2HB   GLN  67          3HB       GLN  67 -11.620  -1.610  -5.789
  700   1HG   GLN  67          2HG       GLN  67  -9.425  -0.124  -4.459
  701   2HG   GLN  67          3HG       GLN  67 -10.511   0.862  -5.434
  702   1HE2  GLN  67          2HE2      GLN  67 -11.839  -0.745  -1.956
  703   2HE2  GLN  67          1HE2      GLN  67 -10.220  -0.912  -2.462
  704    QB   GLN  67           QB       GLN  67 -11.045  -1.258  -6.338
  705    QG   GLN  67           QG       GLN  67  -9.968   0.369  -4.946
  706    QE2  GLN  67           QE2      GLN  67 -11.030  -0.828  -2.209
  707    H    HIS  68           HN       HIS  68  -8.495  -1.635  -7.673
  708    HA   HIS  68           HA       HIS  68  -5.785  -1.432  -6.567
  709   1HB   HIS  68          2HB       HIS  68  -5.934  -2.110  -8.854
  710   2HB   HIS  68          3HB       HIS  68  -7.044  -0.825  -9.247
  711    HD1  HIS  68           HD1      HIS  68  -5.942   0.850 -10.538
  712    HD2  HIS  68           HD2      HIS  68  -3.267  -0.710  -7.833
  713    HE1  HIS  68           HE1      HIS  68  -3.824   2.185 -10.769
  714    QB   HIS  68           QB       HIS  68  -6.489  -1.468  -9.051
  715    H    ILE  69           HN       ILE  69  -4.695   0.658  -6.406
  716    HA   ILE  69           HA       ILE  69  -6.666   2.900  -6.114
  717    HB   ILE  69           HB       ILE  69  -4.038   2.704  -4.626
  718   1HG1  ILE  69          2HG1      ILE  69  -5.316   0.639  -4.127
  719   2HG1  ILE  69          3HG1      ILE  69  -5.255   1.703  -2.742
  720   1HG2  ILE  69          1HG2      ILE  69  -6.682   4.108  -4.067
  721   2HG2  ILE  69          2HG2      ILE  69  -5.254   4.187  -3.045
  722   3HG2  ILE  69          3HG2      ILE  69  -5.218   4.875  -4.664
  723   1HD1  ILE  69          2HD1      ILE  69  -7.615   1.558  -4.643
  724   2HD1  ILE  69          3HD1      ILE  69  -7.528   0.731  -3.098
  725   3HD1  ILE  69          1HD1      ILE  69  -7.525   2.488  -3.151
  726    QG1  ILE  69           QG1      ILE  69  -5.286   1.171  -3.435
  727    QG2  ILE  69           QG2      ILE  69  -5.718   4.390  -3.925
  728    QD1  ILE  69           QD1      ILE  69  -7.556   1.592  -3.631
  729    H    GLY  70           HN       GLY  70  -3.343   2.096  -6.954
  730   1HA   GLY  70          1HA       GLY  70  -2.805   3.267  -9.261
  731   2HA   GLY  70          2HA       GLY  70  -3.061   4.723  -8.316
  732    QA   GLY  70           QA       GLY  70  -2.933   3.995  -8.788
  733    H    GLY  71           HN       GLY  71  -1.095   5.582  -7.986
  734   1HA   GLY  71          1HA       GLY  71   1.124   3.777  -7.115
  735   2HA   GLY  71          2HA       GLY  71   1.366   5.297  -7.970
  736    QA   GLY  71           QA       GLY  71   1.245   4.537  -7.542
  737    OH   TYR  72           OH       TYR  72   4.020   8.880   1.307
  738    H    TYR  72           HN       TYR  72   2.745   6.048  -6.241
  739    HA   TYR  72           HA       TYR  72   2.014   6.049  -3.503
  740   1HB   TYR  72          2HB       TYR  72   4.320   6.645  -4.412
  741   2HB   TYR  72          3HB       TYR  72   3.677   8.239  -4.804
  742    HD1  TYR  72           HD2      TYR  72   3.458   5.829  -1.969
  743    HD2  TYR  72           HD1      TYR  72   4.073   9.875  -3.108
  744    HE1  TYR  72           HE2      TYR  72   3.692   6.438   0.382
  745    HE2  TYR  72           HE1      TYR  72   4.294  10.492  -0.742
  746    HH   TYR  72           HH       TYR  72   3.247   9.445   1.461
  747    QB   TYR  72           QB       TYR  72   3.998   7.442  -4.608
  748    QR   TYR  72           QR       TYR  72   3.879   8.159  -1.359
  749    H    THR  73           HN       THR  73   1.710   8.715  -5.838
  750    HA   THR  73           HA       THR  73   0.415  10.560  -4.186
  751    HB   THR  73           HB       THR  73  -0.745  11.116  -6.590
  752    HG1  THR  73          1HG       THR  73  -0.220   9.001  -7.424
  753   1HG2  THR  73          1HG2      THR  73   1.294  12.321  -5.594
  754   2HG2  THR  73          2HG2      THR  73   2.301  11.043  -6.267
  755   3HG2  THR  73          3HG2      THR  73   1.398  12.106  -7.339
  756    QG2  THR  73           QG2      THR  73   1.664  11.823  -6.400
  757    H    ASP  74           HN       ASP  74  -0.908   7.801  -5.861
  758    HA   ASP  74           HA       ASP  74  -3.679   8.347  -5.256
  759   1HB   ASP  74          2HB       ASP  74  -2.435   5.652  -5.896
  760   2HB   ASP  74          3HB       ASP  74  -4.088   6.171  -6.195
  761    QB   ASP  74           QB       ASP  74  -3.262   5.912  -6.046
  762    H    PHE  75           HN       PHE  75  -1.471   5.835  -4.034
  763    HA   PHE  75           HA       PHE  75  -3.104   4.873  -1.945
  764   1HB   PHE  75          2HB       PHE  75  -0.938   3.867  -2.676
  765   2HB   PHE  75          3HB       PHE  75  -0.078   5.198  -1.927
  766    HD1  PHE  75          2HD       PHE  75  -3.017   4.149  -0.033
  767    HD2  PHE  75          1HD       PHE  75   1.113   3.302  -0.717
  768    HE1  PHE  75          2HE       PHE  75  -2.918   2.911   2.071
  769    HE2  PHE  75          1HE       PHE  75   1.199   2.064   1.393
  770    HZ   PHE  75           HZ       PHE  75  -0.815   1.866   2.793
  771    QB   PHE  75           QB       PHE  75  -0.508   4.532  -2.301
  772    QR   PHE  75           QR       PHE  75  -0.906   3.106   0.678
  773    H    ALA  76           HN       ALA  76  -0.781   7.507  -1.954
  774    HA   ALA  76           HA       ALA  76  -0.973   8.378   0.719
  775   1HB   ALA  76          1HB       ALA  76   0.674   9.215  -0.977
  776   2HB   ALA  76          2HB       ALA  76  -0.628  10.059  -1.801
  777   3HB   ALA  76          3HB       ALA  76  -0.158  10.543  -0.177
  778    QB   ALA  76           QB       ALA  76  -0.038   9.939  -0.985
  779    H    ALA  77           HN       ALA  77  -2.713   9.685  -2.121
  780    HA   ALA  77           HA       ALA  77  -4.477  11.319  -0.602
  781   1HB   ALA  77          3HB       ALA  77  -4.226  11.532  -3.058
  782   2HB   ALA  77          1HB       ALA  77  -4.993   9.965  -3.284
  783   3HB   ALA  77          2HB       ALA  77  -5.919  11.313  -2.627
  784    QB   ALA  77           QB       ALA  77  -5.046  10.937  -2.990
  785    CH2  TRP  78           CH2      TRP  78  -8.076   2.685   2.806
  786    H    TRP  78           HN       TRP  78  -5.114   8.047  -1.937
  787    HA   TRP  78           HA       TRP  78  -7.699   7.672  -0.931
  788   1HB   TRP  78          2HB       TRP  78  -6.522   5.943  -2.246
  789   2HB   TRP  78          3HB       TRP  78  -5.471   5.617  -0.901
  790    HD1  TRP  78           HD1      TRP  78  -8.923   4.761  -2.257
  791    HE1  TRP  78           HE1      TRP  78 -10.086   3.123  -0.767
  792    HE3  TRP  78           HE3      TRP  78  -5.707   4.795   1.599
  793    HZ2  TRP  78           HZ2      TRP  78  -9.788   2.015   1.735
  794    HZ3  TRP  78           HZ3      TRP  78  -6.265   3.476   3.614
  795    HH2  TRP  78           HH2      TRP  78  -8.291   2.087   3.677
  796    QB   TRP  78           QB       TRP  78  -5.996   5.780  -1.573
  797    H    VAL  79           HN       VAL  79  -4.635   6.945   0.731
  798    HA   VAL  79           HA       VAL  79  -5.623   6.151   3.230
  799    HB   VAL  79           HB       VAL  79  -3.166   7.744   2.420
  800   1HG1  VAL  79          3HG1      VAL  79  -3.843   6.713   5.193
  801   2HG1  VAL  79          1HG1      VAL  79  -2.273   7.335   4.713
  802   3HG1  VAL  79          2HG1      VAL  79  -3.670   8.401   4.750
  803   1HG2  VAL  79          1HG2      VAL  79  -3.306   5.354   1.785
  804   2HG2  VAL  79          2HG2      VAL  79  -2.040   5.609   2.978
  805   3HG2  VAL  79          3HG2      VAL  79  -3.584   4.920   3.462
  806    QG1  VAL  79           QG1      VAL  79  -3.262   7.483   4.885
  807    QG2  VAL  79           QG2      VAL  79  -2.976   5.295   2.742
  808    QQG  VAL  79           QQG      VAL  79  -3.119   6.389   3.813
  809    H    LYS  80           HN       LYS  80  -4.707   9.446   2.294
  810    HA   LYS  80           HA       LYS  80  -5.745  10.752   4.565
  811   1HB   LYS  80          2HB       LYS  80  -4.255  11.726   2.840
  812   2HB   LYS  80          3HB       LYS  80  -5.591  11.730   1.702
  813   1HG   LYS  80          2HG       LYS  80  -6.261  12.967   4.286
  814   2HG   LYS  80          3HG       LYS  80  -4.959  13.786   3.426
  815   1HD   LYS  80          2HD       LYS  80  -6.305  14.355   1.625
  816   2HD   LYS  80          3HD       LYS  80  -7.353  12.960   1.815
  817   1HE   LYS  80          2HE       LYS  80  -7.311  15.218   3.824
  818   2HE   LYS  80          3HE       LYS  80  -8.360  15.240   2.413
  819   1HZ   LYS  80          1HZ       LYS  80  -8.576  12.740   3.744
  820   2HZ   LYS  80          2HZ       LYS  80  -8.874  14.019   4.832
  821   3HZ   LYS  80          3HZ       LYS  80  -9.776  13.909   3.414
  822    QB   LYS  80           QB       LYS  80  -4.923  11.728   2.271
  823    QG   LYS  80           QG       LYS  80  -5.610  13.377   3.856
  824    QD   LYS  80           QD       LYS  80  -6.829  13.657   1.720
  825    QE   LYS  80           QE       LYS  80  -7.836  15.229   3.119
  826    QZ   LYS  80           QZ       LYS  80  -9.076  13.556   3.997
  827    H    GLU  81           HN       GLU  81  -7.409  10.356   1.453
  828    HA   GLU  81           HA       GLU  81  -9.806  11.691   2.169
  829   1HB   GLU  81          2HB       GLU  81  -9.456   9.431   0.159
  830   2HB   GLU  81          3HB       GLU  81 -10.804  10.553   0.208
  831   1HG   GLU  81          2HG       GLU  81  -9.307  12.433  -0.300
  832   2HG   GLU  81          3HG       GLU  81  -7.908  11.370  -0.248
  833    QB   GLU  81           QB       GLU  81 -10.130   9.992   0.184
  834    QG   GLU  81           QG       GLU  81  -8.607  11.901  -0.274
  835    H    ASN  82           HN       ASN  82  -8.891   8.336   2.641
  836    HA   ASN  82           HA       ASN  82 -11.640   7.795   3.643
  837   1HB   ASN  82          2HB       ASN  82  -9.339   5.919   3.016
  838   2HB   ASN  82          3HB       ASN  82 -10.913   5.405   3.612
  839   1HD2  ASN  82          2HD2      ASN  82 -10.622   6.846  -0.216
  840   2HD2  ASN  82          1HD2      ASN  82  -9.430   7.258   0.927
  841    QB   ASN  82           QB       ASN  82 -10.126   5.662   3.314
  842    QD2  ASN  82           QD2      ASN  82 -10.026   7.052   0.355
  843    H    LEU  83           HN       LEU  83  -8.359   8.010   4.895
  844    HA   LEU  83           HA       LEU  83  -9.291   6.813   7.438
  845   1HB   LEU  83          2HB       LEU  83  -6.551   7.922   6.763
  846   2HB   LEU  83          3HB       LEU  83  -6.961   6.911   8.137
  847    HG   LEU  83           HG       LEU  83  -6.823   6.138   5.207
  848   1HD1  LEU  83          1HD1      LEU  83  -4.816   5.900   6.650
  849   2HD1  LEU  83          2HD1      LEU  83  -5.730   4.867   7.734
  850   3HD1  LEU  83          3HD1      LEU  83  -5.403   4.342   6.086
  851   1HD2  LEU  83          3HD2      LEU  83  -8.196   4.565   7.406
  852   2HD2  LEU  83          1HD2      LEU  83  -8.980   5.249   5.989
  853   3HD2  LEU  83          2HD2      LEU  83  -7.815   3.951   5.804
  854    QB   LEU  83           QB       LEU  83  -6.756   7.417   7.450
  855    QD1  LEU  83           QD1      LEU  83  -5.316   5.036   6.823
  856    QD2  LEU  83           QD2      LEU  83  -8.331   4.588   6.399
  857    QQD  LEU  83           QQD      LEU  83  -6.824   4.812   6.611
  858    H    ASP  84           HN       ASP  84  -8.721   9.948   6.071
  859    HA   ASP  84           HA       ASP  84  -9.018  11.153   8.803
  860   1HB   ASP  84          2HB       ASP  84  -8.161  12.608   6.282
  861   2HB   ASP  84          3HB       ASP  84  -7.997  13.153   7.938
  862    QB   ASP  84           QB       ASP  84  -8.079  12.880   7.110
  863    H    ALA  85           HN       ALA  85  -9.864  11.535   5.469
  864    HA   ALA  85           HA       ALA  85 -12.210  11.621   4.689
  865   1HB   ALA  85          2HB       ALA  85 -13.215  11.981   6.951
  866   2HB   ALA  85          3HB       ALA  85 -12.557  13.615   6.962
  867   3HB   ALA  85          1HB       ALA  85 -13.787  13.170   5.787
  868    QB   ALA  85           QB       ALA  85 -13.187  12.922   6.567
   
  Start of MODEL          11
 Raw file had 868 H/Q atoms
  Start of MODEL   11
    1    H    MET   1           HN       MET   1  -7.858  -5.918   6.326
    2    HA   MET   1           HA       MET   1  -8.237  -3.790   4.484
    3   1HB   MET   1          2HB       MET   1  -8.603  -2.533   6.661
    4   2HB   MET   1          3HB       MET   1  -6.952  -2.952   7.087
    5   1HG   MET   1          2HG       MET   1  -7.033  -0.730   6.084
    6   2HG   MET   1          3HG       MET   1  -6.109  -1.824   5.091
    7   1HE   MET   1          3HE       MET   1  -9.637  -0.254   5.613
    8   2HE   MET   1          1HE       MET   1  -8.436   0.958   5.144
    9   3HE   MET   1          2HE       MET   1  -9.777   0.578   4.065
   10    QB   MET   1           QB       MET   1  -7.778  -2.743   6.874
   11    QG   MET   1           QG       MET   1  -6.571  -1.277   5.587
   12    QE   MET   1           QE       MET   1  -9.283   0.427   4.941
   13    H    GLN   2           HN       GLN   2  -6.940  -5.521   3.464
   14    HA   GLN   2           HA       GLN   2  -4.182  -5.826   4.522
   15   1HB   GLN   2          2HB       GLN   2  -5.522  -7.260   2.201
   16   2HB   GLN   2          3HB       GLN   2  -4.041  -7.734   3.021
   17   1HG   GLN   2          2HG       GLN   2  -5.238  -8.257   5.059
   18   2HG   GLN   2          3HG       GLN   2  -6.721  -7.525   4.451
   19   1HE2  GLN   2          2HE2      GLN   2  -7.595 -10.314   2.446
   20   2HE2  GLN   2          1HE2      GLN   2  -7.852  -8.652   2.699
   21    QB   GLN   2           QB       GLN   2  -4.782  -7.497   2.611
   22    QG   GLN   2           QG       GLN   2  -5.979  -7.891   4.755
   23    QE2  GLN   2           QE2      GLN   2  -7.724  -9.483   2.572
   24    H    THR   3           HN       THR   3  -3.139  -3.981   3.915
   25    HA   THR   3           HA       THR   3  -3.425  -2.926   1.194
   26    HB   THR   3           HB       THR   3  -1.854  -2.084   3.660
   27    HG1  THR   3          1HG       THR   3  -3.561  -0.826   3.774
   28   1HG2  THR   3          1HG2      THR   3  -0.538  -1.472   1.529
   29   2HG2  THR   3          2HG2      THR   3  -1.981  -0.627   0.973
   30   3HG2  THR   3          3HG2      THR   3  -1.140  -0.076   2.417
   31    QG2  THR   3           QG2      THR   3  -1.220  -0.725   1.640
   32    H    VAL   4           HN       VAL   4  -2.394  -3.879  -0.418
   33    HA   VAL   4           HA       VAL   4   0.248  -5.226   0.051
   34    HB   VAL   4           HB       VAL   4  -1.630  -5.486  -2.329
   35   1HG1  VAL   4          1HG1      VAL   4   0.780  -7.111  -1.430
   36   2HG1  VAL   4          2HG1      VAL   4  -0.238  -7.493  -2.815
   37   3HG1  VAL   4          3HG1      VAL   4   0.728  -6.023  -2.815
   38   1HG2  VAL   4          1HG2      VAL   4  -1.280  -7.343   0.050
   39   2HG2  VAL   4          2HG2      VAL   4  -2.707  -6.370  -0.283
   40   3HG2  VAL   4          3HG2      VAL   4  -2.264  -7.684  -1.370
   41    QG1  VAL   4           QG1      VAL   4   0.423  -6.876  -2.353
   42    QG2  VAL   4           QG2      VAL   4  -2.084  -7.132  -0.534
   43    QQG  VAL   4           QQG      VAL   4  -0.830  -7.004  -1.444
   44    H    ILE   5           HN       ILE   5   2.011  -4.518  -1.009
   45    HA   ILE   5           HA       ILE   5   1.662  -2.181  -2.865
   46    HB   ILE   5           HB       ILE   5   4.098  -2.740  -1.139
   47   1HG1  ILE   5          2HG1      ILE   5   1.694  -0.970  -0.524
   48   2HG1  ILE   5          3HG1      ILE   5   2.153  -2.436   0.337
   49   1HG2  ILE   5          1HG2      ILE   5   4.427  -1.278  -3.110
   50   2HG2  ILE   5          2HG2      ILE   5   3.106  -0.244  -2.574
   51   3HG2  ILE   5          3HG2      ILE   5   4.583  -0.356  -1.620
   52   1HD1  ILE   5          3HD1      ILE   5   4.309  -1.397   0.944
   53   2HD1  ILE   5          1HD1      ILE   5   3.807   0.095   0.162
   54   3HD1  ILE   5          2HD1      ILE   5   2.935  -0.488   1.573
   55    QG1  ILE   5           QG1      ILE   5   1.924  -1.703  -0.094
   56    QG2  ILE   5           QG2      ILE   5   4.039  -0.626  -2.435
   57    QD1  ILE   5           QD1      ILE   5   3.684  -0.597   0.893
   58    H    PHE   6           HN       PHE   6   1.933  -2.977  -4.878
   59    HA   PHE   6           HA       PHE   6   3.854  -5.141  -5.424
   60   1HB   PHE   6          2HB       PHE   6   2.017  -3.527  -7.241
   61   2HB   PHE   6          3HB       PHE   6   3.059  -4.833  -7.801
   62    HD1  PHE   6          2HD       PHE   6   0.370  -4.129  -5.282
   63    HD2  PHE   6          1HD       PHE   6   2.223  -7.031  -7.796
   64    HE1  PHE   6          2HE       PHE   6  -1.367  -5.756  -4.688
   65    HE2  PHE   6          1HE       PHE   6   0.482  -8.649  -7.198
   66    HZ   PHE   6           HZ       PHE   6  -1.320  -8.010  -5.658
   67    QB   PHE   6           QB       PHE   6   2.538  -4.180  -7.521
   68    QR   PHE   6           QR       PHE   6   0.427  -6.391  -6.241
   69    H    GLY   7           HN       GLY   7   5.826  -4.206  -5.023
   70   1HA   GLY   7          1HA       GLY   7   6.534  -1.821  -6.667
   71   2HA   GLY   7          2HA       GLY   7   7.389  -2.319  -5.213
   72    QA   GLY   7           QA       GLY   7   6.962  -2.070  -5.940
   73    NH1  ARG   8           NH1      ARG   8  12.372  -0.946  -8.850
   74    NH2  ARG   8           NH2      ARG   8  13.082  -0.390 -10.944
   75    H    ARG   8           HN       ARG   8   9.308  -2.187  -6.636
   76    HA   ARG   8           HA       ARG   8   9.650  -4.794  -8.022
   77   1HB   ARG   8          2HB       ARG   8   8.926  -3.005  -9.646
   78   2HB   ARG   8          3HB       ARG   8  10.390  -2.119  -9.286
   79   1HG   ARG   8          2HG       ARG   8  11.327  -4.682  -9.909
   80   2HG   ARG   8          3HG       ARG   8   9.978  -4.457 -11.014
   81   1HD   ARG   8          2HD       ARG   8  11.970  -3.566 -12.093
   82   2HD   ARG   8          3HD       ARG   8  10.950  -2.198 -11.634
   83    HE   ARG   8           HE       ARG   8  13.317  -3.121 -10.028
   84   1HH1  ARG   8          2HH1      ARG   8  12.056  -1.665  -8.230
   85   2HH1  ARG   8          1HH1      ARG   8  12.441  -0.009  -8.522
   86   1HH2  ARG   8          2HH2      ARG   8  13.304  -0.691 -11.873
   87   2HH2  ARG   8          1HH2      ARG   8  13.169   0.574 -10.694
   88    QB   ARG   8           QB       ARG   8   9.658  -2.562  -9.466
   89    QG   ARG   8           QG       ARG   8  10.653  -4.569 -10.461
   90    QD   ARG   8           QD       ARG   8  11.460  -2.882 -11.864
   91    QH1  ARG   8           QH1      ARG   8  12.248  -0.837  -8.376
   92    QH2  ARG   8           QH2      ARG   8  13.237  -0.058 -11.284
   93    H    SER   9           HN       SER   9  10.701  -4.225  -5.594
   94    HA   SER   9           HA       SER   9  12.687  -4.488  -4.382
   95   1HB   SER   9          2HB       SER   9  14.153  -4.575  -7.058
   96   2HB   SER   9          3HB       SER   9  14.726  -5.188  -5.500
   97    HG   SER   9           HG       SER   9  12.223  -6.055  -6.095
   98    QB   SER   9           QB       SER   9  14.440  -4.881  -6.279
   99    H    GLY  10           HN       GLY  10  13.875  -2.622  -7.172
  100   1HA   GLY  10          1HA       GLY  10  14.955  -0.630  -5.209
  101   2HA   GLY  10          2HA       GLY  10  15.657  -0.945  -6.786
  102    QA   GLY  10           QA       GLY  10  15.306  -0.788  -5.998
  103    H    CYS  11           HN       CYS  11  12.575   0.093  -5.390
  104    HA   CYS  11           HA       CYS  11  12.557   2.326  -7.368
  105   1HB   CYS  11          2HB       CYS  11   9.916   1.823  -7.076
  106   2HB   CYS  11          3HB       CYS  11  10.877   1.181  -8.380
  107    QB   CYS  11           QB       CYS  11  10.396   1.502  -7.728
  108    HA   PRO  12           HA       PRO  12  12.550   4.295  -3.358
  109   1HB   PRO  12          2HB       PRO  12  11.541   6.767  -4.379
  110   2HB   PRO  12          3HB       PRO  12  13.231   6.359  -4.069
  111   1HG   PRO  12          2HG       PRO  12  11.754   6.405  -6.659
  112   2HG   PRO  12          3HG       PRO  12  13.486   6.579  -6.361
  113   1HD   PRO  12          2HD       PRO  12  12.341   4.296  -7.418
  114   2HD   PRO  12          3HD       PRO  12  13.863   4.280  -6.500
  115    QB   PRO  12           QB       PRO  12  12.386   6.563  -4.224
  116    QG   PRO  12           QG       PRO  12  12.620   6.492  -6.510
  117    QD   PRO  12           QD       PRO  12  13.102   4.288  -6.959
  118    OH   TYR  13           OH       TYR  13   6.514  10.390  -6.900
  119    H    TYR  13           HN       TYR  13   9.935   4.962  -5.620
  120    HA   TYR  13           HA       TYR  13   7.882   5.534  -3.779
  121   1HB   TYR  13          2HB       TYR  13   7.933   4.422  -6.569
  122   2HB   TYR  13          3HB       TYR  13   6.415   4.422  -5.681
  123    HD1  TYR  13           HD2      TYR  13   9.182   6.965  -5.637
  124    HD2  TYR  13           HD1      TYR  13   5.125   6.110  -6.599
  125    HE1  TYR  13           HE2      TYR  13   8.784   9.339  -6.087
  126    HE2  TYR  13           HE1      TYR  13   4.746   8.474  -7.093
  127    HH   TYR  13           HH       TYR  13   7.102  10.642  -7.617
  128    QB   TYR  13           QB       TYR  13   7.174   4.422  -6.125
  129    QR   TYR  13           QR       TYR  13   6.959   7.722  -6.354
  130    H    CYS  14           HN       CYS  14   9.085   2.357  -4.780
  131    HA   CYS  14           HA       CYS  14   6.919   0.866  -3.588
  132   1HB   CYS  14          2HB       CYS  14   9.794   0.023  -4.052
  133   2HB   CYS  14          3HB       CYS  14   8.462  -1.049  -3.738
  134    QB   CYS  14           QB       CYS  14   9.128  -0.513  -3.895
  135    H    VAL  15           HN       VAL  15  10.196   1.590  -2.505
  136    HA   VAL  15           HA       VAL  15   9.912   0.452   0.109
  137    HB   VAL  15           HB       VAL  15  11.745   2.692  -0.797
  138   1HG1  VAL  15          2HG1      VAL  15  11.927   0.763   1.562
  139   2HG1  VAL  15          3HG1      VAL  15  13.159   1.935   1.105
  140   3HG1  VAL  15          1HG1      VAL  15  11.590   2.487   1.685
  141   1HG2  VAL  15          3HG2      VAL  15  12.079  -0.332  -0.694
  142   2HG2  VAL  15          1HG2      VAL  15  11.916   0.627  -2.161
  143   3HG2  VAL  15          2HG2      VAL  15  13.342   0.809  -1.146
  144    QG1  VAL  15           QG1      VAL  15  12.225   1.728   1.451
  145    QG2  VAL  15           QG2      VAL  15  12.446   0.368  -1.334
  146    QQG  VAL  15           QQG      VAL  15  12.336   1.048   0.059
  147    NH1  ARG  16           NH2      ARG  16   6.151   6.374   3.617
  148    NH2  ARG  16           NH1      ARG  16   7.776   7.813   4.288
  149    H    ARG  16           HN       ARG  16   9.498   3.772  -1.063
  150    HA   ARG  16           HA       ARG  16   8.886   5.004   1.413
  151   1HB   ARG  16          2HB       ARG  16   9.484   6.330  -0.516
  152   2HB   ARG  16          3HB       ARG  16   8.173   5.648  -1.466
  153   1HG   ARG  16          2HG       ARG  16   7.479   7.823  -0.773
  154   2HG   ARG  16          3HG       ARG  16   6.552   6.673   0.170
  155   1HD   ARG  16          2HD       ARG  16   8.809   7.082   1.759
  156   2HD   ARG  16          3HD       ARG  16   8.516   8.681   1.073
  157    HE   ARG  16           HE       ARG  16   6.115   8.416   1.941
  158   1HH1  ARG  16          2HH2      ARG  16   5.585   6.024   2.869
  159   2HH1  ARG  16          1HH2      ARG  16   6.127   5.931   4.524
  160   1HH2  ARG  16          2HH1      ARG  16   8.369   8.581   4.076
  161   2HH2  ARG  16          1HH1      ARG  16   7.828   7.373   5.197
  162    QB   ARG  16           QB       ARG  16   8.828   5.989  -0.991
  163    QG   ARG  16           QG       ARG  16   7.016   7.248  -0.301
  164    QD   ARG  16           QD       ARG  16   8.663   7.881   1.416
  165    QH1  ARG  16           QH2      ARG  16   5.856   5.977   3.697
  166    QH2  ARG  16           QH1      ARG  16   8.098   7.977   4.636
  167    H    ALA  17           HN       ALA  17   6.714   3.660  -1.099
  168    HA   ALA  17           HA       ALA  17   4.283   4.221   0.278
  169   1HB   ALA  17          2HB       ALA  17   4.952   1.834  -1.484
  170   2HB   ALA  17          3HB       ALA  17   3.325   2.355  -1.050
  171   3HB   ALA  17          1HB       ALA  17   4.342   3.383  -2.051
  172    QB   ALA  17           QB       ALA  17   4.207   2.524  -1.529
  173    H    LYS  18           HN       LYS  18   6.428   1.355   0.378
  174    HA   LYS  18           HA       LYS  18   4.987  -0.042   2.376
  175   1HB   LYS  18          2HB       LYS  18   6.752  -1.127   1.173
  176   2HB   LYS  18          3HB       LYS  18   7.924   0.078   1.685
  177   1HG   LYS  18          2HG       LYS  18   6.472  -1.397   3.837
  178   2HG   LYS  18          3HG       LYS  18   7.680  -2.294   2.925
  179   1HD   LYS  18          2HD       LYS  18   9.378  -0.646   3.419
  180   2HD   LYS  18          3HD       LYS  18   8.225   0.425   4.168
  181   1HE   LYS  18          2HE       LYS  18   8.754  -2.373   5.189
  182   2HE   LYS  18          3HE       LYS  18   9.538  -0.930   5.830
  183   1HZ   LYS  18          2HZ       LYS  18   6.794  -0.397   5.727
  184   2HZ   LYS  18          3HZ       LYS  18   6.965  -1.931   6.430
  185   3HZ   LYS  18          1HZ       LYS  18   7.779  -0.617   7.109
  186    QB   LYS  18           QB       LYS  18   7.338  -0.524   1.429
  187    QG   LYS  18           QG       LYS  18   7.076  -1.846   3.381
  188    QD   LYS  18           QD       LYS  18   8.802  -0.111   3.794
  189    QE   LYS  18           QE       LYS  18   9.146  -1.651   5.510
  190    QZ   LYS  18           QZ       LYS  18   7.180  -0.982   6.422
  191    H    ASP  19           HN       ASP  19   7.541   2.379   2.729
  192    HA   ASP  19           HA       ASP  19   7.769   2.439   5.518
  193   1HB   ASP  19          2HB       ASP  19   9.216   3.802   4.127
  194   2HB   ASP  19          3HB       ASP  19   7.862   4.693   3.478
  195    QB   ASP  19           QB       ASP  19   8.539   4.248   3.803
  196    H    LEU  20           HN       LEU  20   5.477   4.242   3.471
  197    HA   LEU  20           HA       LEU  20   4.032   5.452   5.598
  198   1HB   LEU  20          2HB       LEU  20   3.634   6.151   3.283
  199   2HB   LEU  20          3HB       LEU  20   2.981   4.572   2.881
  200    HG   LEU  20           HG       LEU  20   1.078   4.919   4.369
  201   1HD1  LEU  20          3HD1      LEU  20   2.437   7.546   5.101
  202   2HD1  LEU  20          1HD1      LEU  20   0.806   7.091   5.576
  203   3HD1  LEU  20          2HD1      LEU  20   2.178   6.173   6.179
  204   1HD2  LEU  20          2HD2      LEU  20   0.927   5.899   2.081
  205   2HD2  LEU  20          3HD2      LEU  20   0.012   6.863   3.235
  206   3HD2  LEU  20          1HD2      LEU  20   1.591   7.409   2.683
  207    QB   LEU  20           QB       LEU  20   3.307   5.362   3.082
  208    QD1  LEU  20           QD1      LEU  20   1.807   6.937   5.619
  209    QD2  LEU  20           QD2      LEU  20   0.844   6.724   2.667
  210    QQD  LEU  20           QQD      LEU  20   1.325   6.830   4.143
  211    H    ALA  21           HN       ALA  21   3.293   2.404   3.888
  212    HA   ALA  21           HA       ALA  21   1.035   1.617   5.340
  213   1HB   ALA  21          2HB       ALA  21   3.346  -0.180   4.517
  214   2HB   ALA  21          3HB       ALA  21   1.739  -0.734   4.978
  215   3HB   ALA  21          1HB       ALA  21   1.949   0.231   3.524
  216    QB   ALA  21           QB       ALA  21   2.345  -0.228   4.340
  217    H    GLU  22           HN       GLU  22   4.417   0.998   6.259
  218    HA   GLU  22           HA       GLU  22   4.139  -0.290   8.694
  219   1HB   GLU  22          2HB       GLU  22   6.232   0.661   7.396
  220   2HB   GLU  22          3HB       GLU  22   6.020   2.064   8.419
  221   1HG   GLU  22          2HG       GLU  22   7.544   0.720   9.607
  222   2HG   GLU  22          3HG       GLU  22   6.012   0.383  10.400
  223    QB   GLU  22           QB       GLU  22   6.126   1.363   7.908
  224    QG   GLU  22           QG       GLU  22   6.778   0.552  10.004
  225    H    LYS  23           HN       LYS  23   3.990   3.215   8.155
  226    HA   LYS  23           HA       LYS  23   3.385   3.718  10.956
  227   1HB   LYS  23          2HB       LYS  23   4.490   5.337   9.293
  228   2HB   LYS  23          3HB       LYS  23   2.870   5.663   8.696
  229   1HG   LYS  23          2HG       LYS  23   3.385   5.791  11.664
  230   2HG   LYS  23          3HG       LYS  23   3.925   7.121  10.656
  231   1HD   LYS  23          2HD       LYS  23   1.711   7.585   9.881
  232   2HD   LYS  23          3HD       LYS  23   1.076   6.087  10.533
  233   1HE   LYS  23          2HE       LYS  23   2.309   8.246  12.261
  234   2HE   LYS  23          3HE       LYS  23   0.595   8.166  11.911
  235   1HZ   LYS  23          1HZ       LYS  23   1.503   5.622  12.772
  236   2HZ   LYS  23          2HZ       LYS  23   1.973   6.804  13.907
  237   3HZ   LYS  23          3HZ       LYS  23   0.336   6.620  13.488
  238    QB   LYS  23           QB       LYS  23   3.680   5.500   8.995
  239    QG   LYS  23           QG       LYS  23   3.655   6.456  11.160
  240    QD   LYS  23           QD       LYS  23   1.393   6.836  10.207
  241    QE   LYS  23           QE       LYS  23   1.452   8.206  12.086
  242    QZ   LYS  23           QZ       LYS  23   1.271   6.349  13.389
  243    H    LEU  24           HN       LEU  24   1.332   3.725   8.000
  244    HA   LEU  24           HA       LEU  24  -1.083   4.554   9.179
  245   1HB   LEU  24          2HB       LEU  24  -0.377   3.069   6.786
  246   2HB   LEU  24          3HB       LEU  24  -1.832   2.385   7.504
  247    HG   LEU  24           HG       LEU  24  -1.410   5.334   7.055
  248   1HD1  LEU  24          1HD1      LEU  24  -2.997   3.327   5.409
  249   2HD1  LEU  24          2HD1      LEU  24  -2.987   5.063   5.136
  250   3HD1  LEU  24          3HD1      LEU  24  -1.517   4.129   4.887
  251   1HD2  LEU  24          1HD2      LEU  24  -3.064   4.668   8.849
  252   2HD2  LEU  24          2HD2      LEU  24  -3.842   5.475   7.505
  253   3HD2  LEU  24          3HD2      LEU  24  -3.936   3.719   7.654
  254    QB   LEU  24           QB       LEU  24  -1.104   2.727   7.145
  255    QD1  LEU  24           QD1      LEU  24  -2.500   4.173   5.144
  256    QD2  LEU  24           QD2      LEU  24  -3.614   4.621   8.003
  257    QQD  LEU  24           QQD      LEU  24  -3.057   4.397   6.573
  258    H    SER  25           HN       SER  25   0.185   1.342   8.952
  259    HA   SER  25           HA       SER  25  -1.668  -0.248  10.253
  260   1HB   SER  25          2HB       SER  25   1.317  -0.328  10.850
  261   2HB   SER  25          3HB       SER  25   0.173  -1.682  10.958
  262    HG   SER  25           HG       SER  25   1.315  -0.486   8.740
  263    QB   SER  25           QB       SER  25   0.745  -1.005  10.904
  264    H    ASN  26           HN       ASN  26   0.418   2.144  11.639
  265    HA   ASN  26           HA       ASN  26  -0.712   1.631  14.355
  266   1HB   ASN  26          2HB       ASN  26   1.825   3.045  13.463
  267   2HB   ASN  26          3HB       ASN  26   1.285   2.915  15.134
  268   1HD2  ASN  26          2HD2      ASN  26   3.009  -0.321  13.369
  269   2HD2  ASN  26          1HD2      ASN  26   2.696   1.054  12.430
  270    QB   ASN  26           QB       ASN  26   1.555   2.980  14.298
  271    QD2  ASN  26           QD2      ASN  26   2.852   0.367  12.899
  272    H    GLU  27           HN       GLU  27  -2.241   2.933  12.491
  273    HA   GLU  27           HA       GLU  27  -2.486   5.657  13.678
  274   1HB   GLU  27          2HB       GLU  27  -2.442   4.840  10.786
  275   2HB   GLU  27          3HB       GLU  27  -3.474   6.162  11.275
  276   1HG   GLU  27          2HG       GLU  27  -0.540   5.993  11.909
  277   2HG   GLU  27          3HG       GLU  27  -1.198   6.895  10.553
  278    QB   GLU  27           QB       GLU  27  -2.958   5.501  11.031
  279    QG   GLU  27           QG       GLU  27  -0.869   6.444  11.231
  280    NH1  ARG  28           NH2      ARG  28  -5.250   7.768  10.210
  281    NH2  ARG  28           NH1      ARG  28  -7.005   9.177   9.870
  282    H    ARG  28           HN       ARG  28  -4.092   3.303  11.597
  283    HA   ARG  28           HA       ARG  28  -6.674   4.110  12.836
  284   1HB   ARG  28          2HB       ARG  28  -6.190   2.488  10.308
  285   2HB   ARG  28          3HB       ARG  28  -7.752   3.020  10.901
  286   1HG   ARG  28          2HG       ARG  28  -5.483   4.784   9.902
  287   2HG   ARG  28          3HG       ARG  28  -7.052   4.556   9.150
  288   1HD   ARG  28          2HD       ARG  28  -8.041   5.478  11.354
  289   2HD   ARG  28          3HD       ARG  28  -6.421   6.045  11.721
  290    HE   ARG  28           HE       ARG  28  -8.163   7.018   9.471
  291   1HH1  ARG  28          1HH2      ARG  28  -4.925   6.837  10.330
  292   2HH1  ARG  28          2HH2      ARG  28  -4.589   8.529  10.236
  293   1HH2  ARG  28          1HH1      ARG  28  -7.999   9.311   9.780
  294   2HH2  ARG  28          2HH1      ARG  28  -6.392   9.974   9.808
  295    QB   ARG  28           QB       ARG  28  -6.971   2.754  10.604
  296    QG   ARG  28           QG       ARG  28  -6.267   4.670   9.526
  297    QD   ARG  28           QD       ARG  28  -7.231   5.761  11.537
  298    QH1  ARG  28           QH2      ARG  28  -4.757   7.683  10.283
  299    QH2  ARG  28           QH1      ARG  28  -7.195   9.642   9.794
  300    H    ASP  29           HN       ASP  29  -8.226   2.232  12.874
  301    HA   ASP  29           HA       ASP  29  -7.282   0.412  14.878
  302   1HB   ASP  29          2HB       ASP  29  -9.922   0.248  13.412
  303   2HB   ASP  29          3HB       ASP  29  -9.574  -0.168  15.086
  304    QB   ASP  29           QB       ASP  29  -9.748   0.040  14.249
  305    H    ASP  30           HN       ASP  30  -8.466  -0.253  11.558
  306    HA   ASP  30           HA       ASP  30  -7.244  -2.964  11.853
  307   1HB   ASP  30          2HB       ASP  30  -9.703  -3.139  11.706
  308   2HB   ASP  30          3HB       ASP  30  -9.670  -2.274  10.171
  309    QB   ASP  30           QB       ASP  30  -9.686  -2.707  10.939
  310    H    PHE  31           HN       PHE  31  -5.314  -2.003  11.017
  311    HA   PHE  31           HA       PHE  31  -5.391  -1.886   8.022
  312   1HB   PHE  31          2HB       PHE  31  -5.027   0.377   8.971
  313   2HB   PHE  31          3HB       PHE  31  -3.606  -0.213   9.817
  314    HD1  PHE  31          1HD       PHE  31  -1.632  -1.096   8.419
  315    HD2  PHE  31          2HD       PHE  31  -4.943   0.889   6.613
  316    HE1  PHE  31          1HE       PHE  31  -0.269  -0.621   6.442
  317    HE2  PHE  31          2HE       PHE  31  -3.596   1.283   4.601
  318    HZ   PHE  31           HZ       PHE  31  -1.261   0.518   4.505
  319    QB   PHE  31           QB       PHE  31  -4.316   0.082   9.394
  320    QR   PHE  31           QR       PHE  31  -2.610   0.114   6.519
  321    H    GLN  32           HN       GLN  32  -4.405  -3.644   7.266
  322    HA   GLN  32           HA       GLN  32  -1.906  -4.611   8.625
  323   1HB   GLN  32          2HB       GLN  32  -3.623  -6.303   6.778
  324   2HB   GLN  32          3HB       GLN  32  -2.438  -6.847   7.952
  325   1HG   GLN  32          2HG       GLN  32  -4.456  -7.360   9.025
  326   2HG   GLN  32          3HG       GLN  32  -4.077  -5.788   9.716
  327   1HE2  GLN  32          2HE2      GLN  32  -7.081  -4.415   8.568
  328   2HE2  GLN  32          1HE2      GLN  32  -5.773  -4.355   9.639
  329    QB   GLN  32           QB       GLN  32  -3.030  -6.575   7.365
  330    QG   GLN  32           QG       GLN  32  -4.266  -6.574   9.371
  331    QE2  GLN  32           QE2      GLN  32  -6.427  -4.385   9.103
  332    OH   TYR  33           OH       TYR  33   5.730  -2.997   6.864
  333    H    TYR  33           HN       TYR  33  -0.248  -5.362   6.956
  334    HA   TYR  33           HA       TYR  33  -0.899  -4.703   4.185
  335   1HB   TYR  33          2HB       TYR  33   0.386  -2.791   3.897
  336   2HB   TYR  33          3HB       TYR  33  -0.227  -2.535   5.521
  337    HD1  TYR  33           HD2      TYR  33   2.720  -3.475   3.537
  338    HD2  TYR  33           HD1      TYR  33   1.259  -2.716   7.473
  339    HE1  TYR  33           HE2      TYR  33   5.018  -3.409   4.378
  340    HE2  TYR  33           HE1      TYR  33   3.564  -2.661   8.306
  341    HH   TYR  33           HH       TYR  33   5.686  -3.006   7.842
  342    QB   TYR  33           QB       TYR  33   0.080  -2.663   4.709
  343    QR   TYR  33           QR       TYR  33   3.140  -3.065   5.923
  344    H    GLN  34           HN       GLN  34   0.646  -5.342   2.697
  345    HA   GLN  34           HA       GLN  34   2.953  -6.943   3.728
  346   1HB   GLN  34          2HB       GLN  34   0.925  -8.443   3.216
  347   2HB   GLN  34          3HB       GLN  34   1.116  -7.977   1.531
  348   1HG   GLN  34          2HG       GLN  34   3.644  -8.723   1.936
  349   2HG   GLN  34          3HG       GLN  34   2.938  -9.634   3.260
  350   1HE2  GLN  34          2HE2      GLN  34   2.770 -11.194  -0.359
  351   2HE2  GLN  34          1HE2      GLN  34   3.817  -9.931   0.098
  352    QB   GLN  34           QB       GLN  34   1.021  -8.210   2.374
  353    QG   GLN  34           QG       GLN  34   3.291  -9.179   2.598
  354    QE2  GLN  34           QE2      GLN  34   3.293 -10.562  -0.131
  355    OH   TYR  35           OH       TYR  35   8.822  -3.301  -3.737
  356    H    TYR  35           HN       TYR  35   4.711  -7.066   2.302
  357    HA   TYR  35           HA       TYR  35   4.598  -5.051   0.113
  358   1HB   TYR  35          2HB       TYR  35   6.504  -4.925   1.762
  359   2HB   TYR  35          3HB       TYR  35   7.025  -6.524   1.224
  360    HD1  TYR  35           HD1      TYR  35   7.828  -6.844  -1.129
  361    HD2  TYR  35           HD2      TYR  35   6.840  -2.973   0.332
  362    HE1  TYR  35           HE1      TYR  35   8.784  -5.847  -3.138
  363    HE2  TYR  35           HE2      TYR  35   7.773  -1.977  -1.705
  364    HH   TYR  35           HH       TYR  35   8.634  -3.944  -4.432
  365    QB   TYR  35           QB       TYR  35   6.765  -5.724   1.493
  366    QR   TYR  35           QR       TYR  35   7.806  -4.410  -1.410
  367    H    VAL  36           HN       VAL  36   4.991  -5.628  -2.014
  368    HA   VAL  36           HA       VAL  36   5.481  -8.500  -2.615
  369    HB   VAL  36           HB       VAL  36   3.056  -6.818  -3.211
  370   1HG1  VAL  36          3HG1      VAL  36   3.915  -7.465  -5.467
  371   2HG1  VAL  36          1HG1      VAL  36   3.957  -9.152  -4.958
  372   3HG1  VAL  36          2HG1      VAL  36   2.420  -8.298  -5.073
  373   1HG2  VAL  36          3HG2      VAL  36   3.531  -9.754  -2.564
  374   2HG2  VAL  36          1HG2      VAL  36   3.037  -8.509  -1.421
  375   3HG2  VAL  36          2HG2      VAL  36   1.951  -8.991  -2.717
  376    QG1  VAL  36           QG1      VAL  36   3.431  -8.305  -5.166
  377    QG2  VAL  36           QG2      VAL  36   2.840  -9.084  -2.234
  378    QQG  VAL  36           QQG      VAL  36   3.135  -8.695  -3.700
  379    H    ASP  37           HN       ASP  37   6.251  -8.829  -4.816
  380    HA   ASP  37           HA       ASP  37   7.244  -6.360  -6.205
  381   1HB   ASP  37          2HB       ASP  37   9.039  -7.458  -4.781
  382   2HB   ASP  37          3HB       ASP  37   8.909  -8.864  -5.837
  383    QB   ASP  37           QB       ASP  37   8.974  -8.161  -5.309
  384    H    ILE  38           HN       ILE  38   7.097  -6.457  -8.350
  385    HA   ILE  38           HA       ILE  38   5.315  -8.232  -9.598
  386    HB   ILE  38           HB       ILE  38   6.072  -7.270 -11.718
  387   1HG1  ILE  38          2HG1      ILE  38   8.204  -5.820 -10.137
  388   2HG1  ILE  38          3HG1      ILE  38   8.530  -7.334 -10.969
  389   1HG2  ILE  38          2HG2      ILE  38   4.569  -5.990 -10.191
  390   2HG2  ILE  38          3HG2      ILE  38   5.974  -5.266  -9.417
  391   3HG2  ILE  38          1HG2      ILE  38   5.613  -4.908 -11.102
  392   1HD1  ILE  38          3HD1      ILE  38   7.710  -6.318 -13.096
  393   2HD1  ILE  38          1HD1      ILE  38   7.474  -4.792 -12.250
  394   3HD1  ILE  38          2HD1      ILE  38   9.095  -5.449 -12.450
  395    QG1  ILE  38           QG1      ILE  38   8.367  -6.577 -10.553
  396    QG2  ILE  38           QG2      ILE  38   5.386  -5.388 -10.237
  397    QD1  ILE  38           QD1      ILE  38   8.093  -5.519 -12.599
  398    NH1  ARG  39           NH2      ARG  39  11.909  -8.155  -7.969
  399    NH2  ARG  39           NH1      ARG  39  14.132  -7.936  -8.214
  400    H    ARG  39           HN       ARG  39   8.742  -8.742  -9.097
  401    HA   ARG  39           HA       ARG  39   8.755 -10.945 -11.086
  402   1HB   ARG  39          2HB       ARG  39  10.925 -10.309  -9.085
  403   2HB   ARG  39          3HB       ARG  39  11.082 -11.218 -10.577
  404   1HG   ARG  39          2HG       ARG  39  10.541  -9.176 -11.884
  405   2HG   ARG  39          3HG       ARG  39  10.399  -8.261 -10.386
  406   1HD   ARG  39          2HD       ARG  39  12.872  -9.427 -11.651
  407   2HD   ARG  39          3HD       ARG  39  12.616  -7.813 -10.996
  408    HE   ARG  39           HE       ARG  39  13.220 -10.250  -9.395
  409   1HH1  ARG  39          2HH2      ARG  39  11.036  -8.554  -8.260
  410   2HH1  ARG  39          1HH2      ARG  39  11.918  -7.482  -7.228
  411   1HH2  ARG  39          1HH1      ARG  39  14.977  -8.189  -8.683
  412   2HH2  ARG  39          2HH1      ARG  39  14.147  -7.259  -7.461
  413    QB   ARG  39           QB       ARG  39  11.004 -10.764  -9.831
  414    QG   ARG  39           QG       ARG  39  10.470  -8.719 -11.135
  415    QD   ARG  39           QD       ARG  39  12.744  -8.620 -11.323
  416    QH1  ARG  39           QH2      ARG  39  11.477  -8.018  -7.744
  417    QH2  ARG  39           QH1      ARG  39  14.562  -7.724  -8.072
  418    H    ALA  40           HN       ALA  40   7.983 -10.558  -7.811
  419    HA   ALA  40           HA       ALA  40   8.778 -13.221  -6.891
  420   1HB   ALA  40          2HB       ALA  40   8.452 -11.297  -5.311
  421   2HB   ALA  40          3HB       ALA  40   6.745 -11.253  -5.745
  422   3HB   ALA  40          1HB       ALA  40   7.404 -12.652  -4.904
  423    QB   ALA  40           QB       ALA  40   7.534 -11.734  -5.320
  424    H    GLU  41           HN       GLU  41   5.934 -11.570  -8.011
  425    HA   GLU  41           HA       GLU  41   4.350 -14.059  -8.070
  426   1HB   GLU  41          2HB       GLU  41   3.759 -11.281  -7.873
  427   2HB   GLU  41          3HB       GLU  41   3.058 -11.820  -9.394
  428   1HG   GLU  41          2HG       GLU  41   1.433 -12.136  -7.568
  429   2HG   GLU  41          3HG       GLU  41   1.942 -13.708  -8.172
  430    QB   GLU  41           QB       GLU  41   3.409 -11.551  -8.633
  431    QG   GLU  41           QG       GLU  41   1.687 -12.922  -7.870
  432    H    GLY  42           HN       GLY  42   5.774 -11.764 -10.405
  433   1HA   GLY  42          1HA       GLY  42   6.785 -12.725 -12.461
  434   2HA   GLY  42          2HA       GLY  42   5.490 -13.915 -12.478
  435    QA   GLY  42           QA       GLY  42   6.138 -13.320 -12.470
  436    H    ILE  43           HN       ILE  43   5.747 -10.375 -12.365
  437    HA   ILE  43           HA       ILE  43   3.658 -10.277 -14.497
  438    HB   ILE  43           HB       ILE  43   4.151  -8.189 -12.341
  439   1HG1  ILE  43          2HG1      ILE  43   2.084 -10.420 -12.418
  440   2HG1  ILE  43          3HG1      ILE  43   3.450 -10.346 -11.320
  441   1HG2  ILE  43          2HG2      ILE  43   1.809  -8.684 -14.226
  442   2HG2  ILE  43          3HG2      ILE  43   1.903  -7.403 -13.023
  443   3HG2  ILE  43          1HG2      ILE  43   2.999  -7.396 -14.390
  444   1HD1  ILE  43          1HD1      ILE  43   2.567  -8.211 -10.381
  445   2HD1  ILE  43          2HD1      ILE  43   1.165  -8.345 -11.437
  446   3HD1  ILE  43          3HD1      ILE  43   1.435  -9.541 -10.182
  447    QG1  ILE  43           QG1      ILE  43   2.767 -10.383 -11.869
  448    QG2  ILE  43           QG2      ILE  43   2.237  -7.828 -13.880
  449    QD1  ILE  43           QD1      ILE  43   1.722  -8.699 -10.666
  450    H    THR  44           HN       THR  44   3.798  -8.580 -16.001
  451    HA   THR  44           HA       THR  44   6.571  -7.487 -16.330
  452    HB   THR  44           HB       THR  44   6.019  -7.425 -18.785
  453    HG1  THR  44          1HG       THR  44   4.021  -8.251 -19.362
  454   1HG2  THR  44          3HG2      THR  44   5.289 -10.098 -17.496
  455   2HG2  THR  44          1HG2      THR  44   5.858  -9.863 -19.148
  456   3HG2  THR  44          2HG2      THR  44   6.942  -9.569 -17.791
  457    QG2  THR  44           QG2      THR  44   6.030  -9.843 -18.145
  458    H    LYS  45           HN       LYS  45   5.730  -5.430 -18.253
  459    HA   LYS  45           HA       LYS  45   4.217  -3.764 -16.283
  460   1HB   LYS  45          2HB       LYS  45   5.183  -1.867 -17.213
  461   2HB   LYS  45          3HB       LYS  45   6.468  -3.038 -17.292
  462   1HG   LYS  45          2HG       LYS  45   6.565  -2.980 -19.548
  463   2HG   LYS  45          3HG       LYS  45   4.822  -3.032 -19.732
  464   1HD   LYS  45          2HD       LYS  45   6.159  -0.501 -18.746
  465   2HD   LYS  45          3HD       LYS  45   6.143  -0.869 -20.461
  466   1HE   LYS  45          2HE       LYS  45   4.203   0.453 -20.146
  467   2HE   LYS  45          3HE       LYS  45   3.594  -1.191 -20.210
  468   1HZ   LYS  45          3HZ       LYS  45   4.232  -0.497 -17.530
  469   2HZ   LYS  45          1HZ       LYS  45   3.167   0.656 -18.175
  470   3HZ   LYS  45          2HZ       LYS  45   2.760  -1.003 -18.197
  471    QB   LYS  45           QB       LYS  45   5.825  -2.453 -17.253
  472    QG   LYS  45           QG       LYS  45   5.694  -3.006 -19.640
  473    QD   LYS  45           QD       LYS  45   6.151  -0.685 -19.603
  474    QE   LYS  45           QE       LYS  45   3.898  -0.369 -20.178
  475    QZ   LYS  45           QZ       LYS  45   3.386  -0.281 -17.967
  476    H    GLU  46           HN       GLU  46   3.311  -5.782 -18.280
  477    HA   GLU  46           HA       GLU  46   1.420  -4.163 -19.903
  478   1HB   GLU  46          2HB       GLU  46   1.809  -7.167 -19.977
  479   2HB   GLU  46          3HB       GLU  46   1.163  -6.131 -21.237
  480   1HG   GLU  46          2HG       GLU  46   3.311  -5.209 -21.728
  481   2HG   GLU  46          3HG       GLU  46   4.014  -5.827 -20.235
  482    QB   GLU  46           QB       GLU  46   1.486  -6.649 -20.607
  483    QG   GLU  46           QG       GLU  46   3.663  -5.518 -20.982
  484    H    ASP  47           HN       ASP  47   1.222  -7.214 -18.040
  485    HA   ASP  47           HA       ASP  47  -1.628  -7.231 -17.773
  486   1HB   ASP  47          2HB       ASP  47   0.236  -9.044 -17.110
  487   2HB   ASP  47          3HB       ASP  47   0.059  -8.309 -15.521
  488    QB   ASP  47           QB       ASP  47   0.148  -8.676 -16.315
  489    H    LEU  48           HN       LEU  48   0.881  -5.865 -15.650
  490    HA   LEU  48           HA       LEU  48  -0.666  -5.057 -13.488
  491   1HB   LEU  48          2HB       LEU  48   1.805  -4.071 -14.718
  492   2HB   LEU  48          3HB       LEU  48   0.894  -2.792 -13.915
  493    HG   LEU  48           HG       LEU  48   1.361  -5.476 -12.573
  494   1HD1  LEU  48          1HD1      LEU  48   3.579  -4.479 -13.127
  495   2HD1  LEU  48          2HD1      LEU  48   3.084  -2.999 -12.302
  496   3HD1  LEU  48          3HD1      LEU  48   3.266  -4.492 -11.395
  497   1HD2  LEU  48          3HD2      LEU  48   0.762  -2.674 -11.537
  498   2HD2  LEU  48          1HD2      LEU  48  -0.401  -3.992 -11.642
  499   3HD2  LEU  48          2HD2      LEU  48   0.961  -4.104 -10.531
  500    QB   LEU  48           QB       LEU  48   1.349  -3.432 -14.317
  501    QD1  LEU  48           QD1      LEU  48   3.309  -3.990 -12.275
  502    QD2  LEU  48           QD2      LEU  48   0.440  -3.590 -11.236
  503    QQD  LEU  48           QQD      LEU  48   1.875  -3.790 -11.756
  504    H    GLN  49           HN       GLN  49  -0.620  -3.564 -16.705
  505    HA   GLN  49           HA       GLN  49  -2.180  -1.253 -16.117
  506   1HB   GLN  49          2HB       GLN  49  -2.164  -3.063 -18.566
  507   2HB   GLN  49          3HB       GLN  49  -3.022  -1.526 -18.507
  508   1HG   GLN  49          2HG       GLN  49  -0.093  -1.640 -17.772
  509   2HG   GLN  49          3HG       GLN  49  -0.578  -1.541 -19.464
  510   1HE2  GLN  49          2HE2      GLN  49  -0.885   1.742 -17.110
  511   2HE2  GLN  49          1HE2      GLN  49  -0.118   0.334 -16.569
  512    QB   GLN  49           QB       GLN  49  -2.593  -2.294 -18.537
  513    QG   GLN  49           QG       GLN  49  -0.336  -1.590 -18.618
  514    QE2  GLN  49           QE2      GLN  49  -0.501   1.038 -16.840
  515    H    GLN  50           HN       GLN  50  -3.127  -4.552 -16.789
  516    HA   GLN  50           HA       GLN  50  -5.988  -4.064 -16.521
  517   1HB   GLN  50          2HB       GLN  50  -4.309  -6.594 -16.690
  518   2HB   GLN  50          3HB       GLN  50  -6.058  -6.612 -16.637
  519   1HG   GLN  50          2HG       GLN  50  -4.363  -5.231 -18.749
  520   2HG   GLN  50          3HG       GLN  50  -5.287  -6.714 -18.970
  521   1HE2  GLN  50          2HE2      GLN  50  -7.131  -3.154 -19.288
  522   2HE2  GLN  50          1HE2      GLN  50  -5.458  -3.289 -19.060
  523    QB   GLN  50           QB       GLN  50  -5.183  -6.603 -16.663
  524    QG   GLN  50           QG       GLN  50  -4.825  -5.972 -18.859
  525    QE2  GLN  50           QE2      GLN  50  -6.294  -3.221 -19.174
  526    H    LYS  51           HN       LYS  51  -3.455  -5.393 -14.460
  527    HA   LYS  51           HA       LYS  51  -5.216  -6.283 -12.376
  528   1HB   LYS  51          2HB       LYS  51  -2.392  -5.343 -11.895
  529   2HB   LYS  51          3HB       LYS  51  -3.264  -6.612 -11.082
  530   1HG   LYS  51          2HG       LYS  51  -3.308  -7.583 -13.608
  531   2HG   LYS  51          3HG       LYS  51  -1.834  -6.648 -13.688
  532   1HD   LYS  51          2HD       LYS  51  -1.106  -8.782 -12.952
  533   2HD   LYS  51          3HD       LYS  51  -1.141  -7.800 -11.489
  534   1HE   LYS  51          2HE       LYS  51  -2.249 -10.031 -11.175
  535   2HE   LYS  51          3HE       LYS  51  -3.363  -8.688 -10.908
  536   1HZ   LYS  51          2HZ       LYS  51  -3.247  -9.418 -13.654
  537   2HZ   LYS  51          3HZ       LYS  51  -3.683 -10.750 -12.701
  538   3HZ   LYS  51          1HZ       LYS  51  -4.595  -9.318 -12.615
  539    QB   LYS  51           QB       LYS  51  -2.828  -5.978 -11.489
  540    QG   LYS  51           QG       LYS  51  -2.571  -7.116 -13.648
  541    QD   LYS  51           QD       LYS  51  -1.123  -8.291 -12.220
  542    QE   LYS  51           QE       LYS  51  -2.806  -9.359 -11.041
  543    QZ   LYS  51           QZ       LYS  51  -3.842  -9.828 -12.990
  544    H    ALA  52           HN       ALA  52  -3.540  -3.258 -12.946
  545    HA   ALA  52           HA       ALA  52  -4.472  -2.067 -10.439
  546   1HB   ALA  52          2HB       ALA  52  -2.888  -0.938 -12.778
  547   2HB   ALA  52          3HB       ALA  52  -3.160  -0.102 -11.255
  548   3HB   ALA  52          1HB       ALA  52  -2.208  -1.579 -11.286
  549    QB   ALA  52           QB       ALA  52  -2.752  -0.873 -11.773
  550    H    GLY  53           HN       GLY  53  -4.969  -1.525 -13.933
  551   1HA   GLY  53          1HA       GLY  53  -7.027  -0.803 -14.928
  552   2HA   GLY  53          2HA       GLY  53  -7.644  -0.406 -13.324
  553    QA   GLY  53           QA       GLY  53  -7.336  -0.604 -14.126
  554    H    LYS  54           HN       LYS  54  -4.490   0.685 -13.918
  555    HA   LYS  54           HA       LYS  54  -5.480   3.438 -14.455
  556   1HB   LYS  54          2HB       LYS  54  -4.427   2.655 -12.159
  557   2HB   LYS  54          3HB       LYS  54  -2.906   2.741 -13.027
  558   1HG   LYS  54          2HG       LYS  54  -2.910   4.998 -13.085
  559   2HG   LYS  54          3HG       LYS  54  -4.646   5.124 -13.315
  560   1HD   LYS  54          2HD       LYS  54  -5.078   4.704 -10.972
  561   2HD   LYS  54          3HD       LYS  54  -3.396   4.292 -10.675
  562   1HE   LYS  54          2HE       LYS  54  -3.923   7.014 -11.804
  563   2HE   LYS  54          3HE       LYS  54  -4.424   6.743 -10.142
  564   1HZ   LYS  54          1HZ       LYS  54  -1.887   5.640 -10.407
  565   2HZ   LYS  54          2HZ       LYS  54  -1.824   7.132 -11.175
  566   3HZ   LYS  54          3HZ       LYS  54  -2.327   7.058  -9.542
  567    QB   LYS  54           QB       LYS  54  -3.667   2.698 -12.593
  568    QG   LYS  54           QG       LYS  54  -3.778   5.061 -13.200
  569    QD   LYS  54           QD       LYS  54  -4.237   4.498 -10.824
  570    QE   LYS  54           QE       LYS  54  -4.173   6.878 -10.973
  571    QZ   LYS  54           QZ       LYS  54  -2.013   6.610 -10.375
  572    HA   PRO  55           HA       PRO  55  -3.314   2.724 -18.114
  573   1HB   PRO  55          2HB       PRO  55  -3.217   5.239 -19.203
  574   2HB   PRO  55          3HB       PRO  55  -4.734   4.354 -18.983
  575   1HG   PRO  55          2HG       PRO  55  -3.575   6.589 -17.320
  576   2HG   PRO  55          3HG       PRO  55  -5.267   6.271 -17.727
  577   1HD   PRO  55          2HD       PRO  55  -4.062   5.600 -15.290
  578   2HD   PRO  55          3HD       PRO  55  -5.548   4.853 -15.920
  579    QB   PRO  55           QB       PRO  55  -3.975   4.796 -19.093
  580    QG   PRO  55           QG       PRO  55  -4.421   6.430 -17.524
  581    QD   PRO  55           QD       PRO  55  -4.805   5.226 -15.605
  582    H    VAL  56           HN       VAL  56  -1.286   2.603 -18.996
  583    HA   VAL  56           HA       VAL  56   0.991   2.905 -19.307
  584    HB   VAL  56           HB       VAL  56   0.573   5.591 -18.055
  585   1HG1  VAL  56          3HG1      VAL  56   2.779   4.546 -19.853
  586   2HG1  VAL  56          1HG1      VAL  56   2.617   6.209 -19.303
  587   3HG1  VAL  56          2HG1      VAL  56   2.945   4.931 -18.143
  588   1HG2  VAL  56          2HG2      VAL  56  -0.893   5.229 -20.013
  589   2HG2  VAL  56          3HG2      VAL  56   0.373   6.391 -20.391
  590   3HG2  VAL  56          1HG2      VAL  56   0.499   4.730 -20.967
  591    QG1  VAL  56           QG1      VAL  56   2.781   5.228 -19.100
  592    QG2  VAL  56           QG2      VAL  56  -0.007   5.450 -20.457
  593    QQG  VAL  56           QQG      VAL  56   1.387   5.339 -19.778
  594    H    GLU  57           HN       GLU  57   0.465   4.549 -16.145
  595    HA   GLU  57           HA       GLU  57   2.927   3.862 -15.018
  596   1HB   GLU  57          2HB       GLU  57   1.867   4.084 -12.773
  597   2HB   GLU  57          3HB       GLU  57   1.483   5.410 -13.848
  598   1HG   GLU  57          2HG       GLU  57  -0.740   4.422 -14.293
  599   2HG   GLU  57          3HG       GLU  57  -0.345   3.056 -13.251
  600    QB   GLU  57           QB       GLU  57   1.675   4.747 -13.310
  601    QG   GLU  57           QG       GLU  57  -0.543   3.739 -13.772
  602    H    THR  58           HN       THR  58   3.742   2.215 -13.781
  603    HA   THR  58           HA       THR  58   2.259  -0.370 -14.020
  604    HB   THR  58           HB       THR  58   5.295  -0.020 -14.163
  605    HG1  THR  58          1HG       THR  58   3.382   0.700 -15.854
  606   1HG2  THR  58          3HG2      THR  58   3.416  -2.241 -15.096
  607   2HG2  THR  58          1HG2      THR  58   5.176  -2.249 -15.206
  608   3HG2  THR  58          2HG2      THR  58   4.398  -2.327 -13.637
  609    QG2  THR  58           QG2      THR  58   4.330  -2.272 -14.646
  610    H    VAL  59           HN       VAL  59   5.149   0.841 -12.289
  611    HA   VAL  59           HA       VAL  59   3.942  -0.212  -9.792
  612    HB   VAL  59           HB       VAL  59   6.377  -0.857  -9.168
  613   1HG1  VAL  59          1HG1      VAL  59   4.582  -2.511  -9.658
  614   2HG1  VAL  59          2HG1      VAL  59   4.968  -2.399 -11.371
  615   3HG1  VAL  59          3HG1      VAL  59   6.149  -3.059 -10.242
  616   1HG2  VAL  59          1HG2      VAL  59   6.629  -0.704 -12.191
  617   2HG2  VAL  59          2HG2      VAL  59   7.464   0.335 -11.038
  618   3HG2  VAL  59          3HG2      VAL  59   7.825  -1.388 -11.097
  619    QG1  VAL  59           QG1      VAL  59   5.233  -2.656 -10.424
  620    QG2  VAL  59           QG2      VAL  59   7.306  -0.586 -11.442
  621    QQG  VAL  59           QQG      VAL  59   6.270  -1.621 -10.933
  622    HA   PRO  60           HA       PRO  60   4.713  -0.470  -7.909
  623   1HB   PRO  60          2HB       PRO  60   4.470   0.705  -5.359
  624   2HB   PRO  60          3HB       PRO  60   5.909  -0.099  -5.977
  625   1HG   PRO  60          2HG       PRO  60   5.573   2.690  -5.416
  626   2HG   PRO  60          3HG       PRO  60   7.006   1.906  -6.092
  627   1HD   PRO  60          2HD       PRO  60   4.886   3.460  -7.495
  628   2HD   PRO  60          3HD       PRO  60   6.540   3.078  -8.033
  629    QB   PRO  60           QB       PRO  60   5.190   0.303  -5.668
  630    QG   PRO  60           QG       PRO  60   6.290   2.298  -5.754
  631    QD   PRO  60           QD       PRO  60   5.713   3.269  -7.764
  632    H    GLN  61           HN       GLN  61   2.631  -1.190  -7.420
  633    HA   GLN  61           HA       GLN  61   0.536   0.961  -7.261
  634   1HB   GLN  61          2HB       GLN  61   0.313  -1.855  -8.388
  635   2HB   GLN  61          3HB       GLN  61  -1.013  -0.697  -8.291
  636   1HG   GLN  61          2HG       GLN  61   1.590  -0.052  -9.698
  637   2HG   GLN  61          3HG       GLN  61   0.240  -0.800 -10.537
  638   1HE2  GLN  61          2HE2      GLN  61   0.141   3.159  -9.853
  639   2HE2  GLN  61          1HE2      GLN  61   1.499   2.223  -9.420
  640    QB   GLN  61           QB       GLN  61  -0.350  -1.276  -8.339
  641    QG   GLN  61           QG       GLN  61   0.915  -0.426 -10.118
  642    QE2  GLN  61           QE2      GLN  61   0.820   2.691  -9.637
  643    H    ILE  62           HN       ILE  62  -0.956   0.830  -5.662
  644    HA   ILE  62           HA       ILE  62  -0.460  -1.277  -3.613
  645    HB   ILE  62           HB       ILE  62  -1.536   1.553  -3.288
  646   1HG1  ILE  62          2HG1      ILE  62   0.508   1.603  -1.671
  647   2HG1  ILE  62          3HG1      ILE  62   1.036   0.156  -2.516
  648   1HG2  ILE  62          2HG2      ILE  62  -1.181  -0.665  -1.229
  649   2HG2  ILE  62          3HG2      ILE  62  -1.587   1.008  -0.849
  650   3HG2  ILE  62          1HG2      ILE  62  -2.715   0.019  -1.764
  651   1HD1  ILE  62          3HD1      ILE  62   0.424   2.815  -3.845
  652   2HD1  ILE  62          1HD1      ILE  62   2.037   2.201  -3.488
  653   3HD1  ILE  62          2HD1      ILE  62   1.022   1.375  -4.655
  654    QG1  ILE  62           QG1      ILE  62   0.772   0.880  -2.093
  655    QG2  ILE  62           QG2      ILE  62  -1.828   0.121  -1.281
  656    QD1  ILE  62           QD1      ILE  62   1.161   2.130  -3.996
  657    H    PHE  63           HN       PHE  63  -2.049  -2.391  -2.895
  658    HA   PHE  63           HA       PHE  63  -4.801  -1.995  -4.034
  659   1HB   PHE  63          2HB       PHE  63  -3.264  -4.561  -3.427
  660   2HB   PHE  63          3HB       PHE  63  -4.998  -4.536  -3.729
  661    HD1  PHE  63          2HD       PHE  63  -1.816  -3.248  -5.280
  662    HD2  PHE  63          1HD       PHE  63  -5.702  -4.865  -5.946
  663    HE1  PHE  63          2HE       PHE  63  -1.435  -3.172  -7.690
  664    HE2  PHE  63          1HE       PHE  63  -5.314  -4.785  -8.377
  665    HZ   PHE  63           HZ       PHE  63  -3.213  -3.861  -9.248
  666    QB   PHE  63           QB       PHE  63  -4.131  -4.548  -3.578
  667    QR   PHE  63           QR       PHE  63  -3.567  -4.018  -6.823
  668    H    VAL  64           HN       VAL  64  -6.207  -1.515  -2.388
  669    HA   VAL  64           HA       VAL  64  -5.108  -2.025   0.345
  670    HB   VAL  64           HB       VAL  64  -7.117  -0.020  -0.693
  671   1HG1  VAL  64          2HG1      VAL  64  -6.388  -0.624   2.203
  672   2HG1  VAL  64          3HG1      VAL  64  -7.358   0.737   1.652
  673   3HG1  VAL  64          1HG1      VAL  64  -7.971  -0.893   1.483
  674   1HG2  VAL  64          2HG2      VAL  64  -4.620   0.389  -0.824
  675   2HG2  VAL  64          3HG2      VAL  64  -5.451   1.539   0.226
  676   3HG2  VAL  64          1HG2      VAL  64  -4.543   0.197   0.923
  677    QG1  VAL  64           QG1      VAL  64  -7.239  -0.260   1.779
  678    QG2  VAL  64           QG2      VAL  64  -4.871   0.708   0.108
  679    QQG  VAL  64           QQG      VAL  64  -6.055   0.224   0.944
  680    H    ASP  65           HN       ASP  65  -5.602  -4.197   0.285
  681    HA   ASP  65           HA       ASP  65  -6.818  -5.956   1.211
  682   1HB   ASP  65          2HB       ASP  65  -7.798  -3.969   2.582
  683   2HB   ASP  65          3HB       ASP  65  -9.194  -4.119   1.540
  684    QB   ASP  65           QB       ASP  65  -8.496  -4.044   2.061
  685    H    GLN  66           HN       GLN  66  -9.142  -3.970  -0.526
  686    HA   GLN  66           HA       GLN  66 -10.073  -6.414  -1.902
  687   1HB   GLN  66          2HB       GLN  66 -12.079  -4.798  -2.444
  688   2HB   GLN  66          3HB       GLN  66 -11.930  -5.514  -0.847
  689   1HG   GLN  66          2HG       GLN  66 -11.098  -3.497   0.113
  690   2HG   GLN  66          3HG       GLN  66 -10.726  -2.795  -1.456
  691   1HE2  GLN  66          2HE2      GLN  66 -13.880  -1.228  -1.554
  692   2HE2  GLN  66          1HE2      GLN  66 -12.218  -1.134  -1.882
  693    QB   GLN  66           QB       GLN  66 -12.004  -5.156  -1.645
  694    QG   GLN  66           QG       GLN  66 -10.912  -3.146  -0.671
  695    QE2  GLN  66           QE2      GLN  66 -13.049  -1.181  -1.718
  696    H    GLN  67           HN       GLN  67  -9.626  -2.944  -2.841
  697    HA   GLN  67           HA       GLN  67  -9.252  -3.961  -5.606
  698   1HB   GLN  67          2HB       GLN  67 -10.285  -1.905  -6.330
  699   2HB   GLN  67          3HB       GLN  67 -11.335  -2.651  -5.161
  700   1HG   GLN  67          2HG       GLN  67 -10.664  -1.099  -3.448
  701   2HG   GLN  67          3HG       GLN  67  -9.318  -0.502  -4.415
  702   1HE2  GLN  67          2HE2      GLN  67 -11.274   1.788  -6.228
  703   2HE2  GLN  67          1HE2      GLN  67  -9.735   1.090  -5.988
  704    QB   GLN  67           QB       GLN  67 -10.810  -2.278  -5.746
  705    QG   GLN  67           QG       GLN  67  -9.991  -0.801  -3.931
  706    QE2  GLN  67           QE2      GLN  67 -10.504   1.439  -6.108
  707    H    HIS  68           HN       HIS  68  -8.229  -2.259  -7.029
  708    HA   HIS  68           HA       HIS  68  -5.562  -1.669  -5.993
  709   1HB   HIS  68          2HB       HIS  68  -5.773  -2.343  -8.308
  710   2HB   HIS  68          3HB       HIS  68  -6.925  -1.071  -8.626
  711    HD1  HIS  68           HD1      HIS  68  -5.789   0.551  -9.993
  712    HD2  HIS  68           HD2      HIS  68  -3.215  -0.796  -7.080
  713    HE1  HIS  68           HE1      HIS  68  -3.718   1.984 -10.136
  714    QB   HIS  68           QB       HIS  68  -6.349  -1.707  -8.467
  715    H    ILE  69           HN       ILE  69  -4.765   0.434  -5.613
  716    HA   ILE  69           HA       ILE  69  -6.873   2.547  -5.377
  717    HB   ILE  69           HB       ILE  69  -4.363   2.198  -3.704
  718   1HG1  ILE  69          2HG1      ILE  69  -5.812   0.251  -3.353
  719   2HG1  ILE  69          3HG1      ILE  69  -5.883   1.309  -1.962
  720   1HG2  ILE  69          3HG2      ILE  69  -6.873   3.855  -3.282
  721   2HG2  ILE  69          1HG2      ILE  69  -5.553   3.699  -2.130
  722   3HG2  ILE  69          2HG2      ILE  69  -5.280   4.473  -3.687
  723   1HD1  ILE  69          3HD1      ILE  69  -7.974   1.218  -4.148
  724   2HD1  ILE  69          1HD1      ILE  69  -8.134   0.501  -2.555
  725   3HD1  ILE  69          2HD1      ILE  69  -8.021   2.246  -2.725
  726    QG1  ILE  69           QG1      ILE  69  -5.847   0.780  -2.658
  727    QG2  ILE  69           QG2      ILE  69  -5.902   4.009  -3.033
  728    QD1  ILE  69           QD1      ILE  69  -8.043   1.322  -3.143
  729    H    GLY  70           HN       GLY  70  -3.616   1.852  -6.395
  730   1HA   GLY  70          1HA       GLY  70  -3.075   3.345  -8.470
  731   2HA   GLY  70          2HA       GLY  70  -3.302   4.670  -7.339
  732    QA   GLY  70           QA       GLY  70  -3.189   4.007  -7.905
  733    H    GLY  71           HN       GLY  71  -1.088   5.291  -7.648
  734   1HA   GLY  71          1HA       GLY  71   0.949   3.329  -6.711
  735   2HA   GLY  71          2HA       GLY  71   1.297   4.822  -7.575
  736    QA   GLY  71           QA       GLY  71   1.123   4.076  -7.143
  737    OH   TYR  72           OH       TYR  72   4.466   8.832   1.447
  738    H    TYR  72           HN       TYR  72   2.848   4.899  -5.645
  739    HA   TYR  72           HA       TYR  72   1.992   5.299  -3.005
  740   1HB   TYR  72          2HB       TYR  72   4.405   5.252  -3.591
  741   2HB   TYR  72          3HB       TYR  72   4.247   6.825  -4.370
  742    HD1  TYR  72           HD2      TYR  72   2.853   5.477  -1.145
  743    HD2  TYR  72           HD1      TYR  72   5.274   8.452  -3.001
  744    HE1  TYR  72           HE2      TYR  72   3.111   6.617   1.011
  745    HE2  TYR  72           HE1      TYR  72   5.490   9.606  -0.853
  746    HH   TYR  72           HH       TYR  72   3.855   9.583   1.458
  747    QB   TYR  72           QB       TYR  72   4.326   6.039  -3.981
  748    QR   TYR  72           QR       TYR  72   4.182   7.538  -0.997
  749    H    THR  73           HN       THR  73   1.918   7.602  -5.701
  750    HA   THR  73           HA       THR  73   1.291   9.887  -4.052
  751    HB   THR  73           HB       THR  73   0.243  10.672  -6.385
  752    HG1  THR  73          1HG       THR  73  -0.057   8.844  -7.518
  753   1HG2  THR  73          1HG2      THR  73   3.120   9.625  -6.368
  754   2HG2  THR  73          2HG2      THR  73   2.482  10.856  -7.449
  755   3HG2  THR  73          3HG2      THR  73   2.648  11.193  -5.729
  756    QG2  THR  73           QG2      THR  73   2.750  10.558  -6.515
  757    H    ASP  74           HN       ASP  74  -0.824   7.916  -6.117
  758    HA   ASP  74           HA       ASP  74  -3.278   9.000  -5.222
  759   1HB   ASP  74          2HB       ASP  74  -2.907   6.099  -5.967
  760   2HB   ASP  74          3HB       ASP  74  -4.334   7.098  -6.212
  761    QB   ASP  74           QB       ASP  74  -3.620   6.599  -6.089
  762    H    PHE  75           HN       PHE  75  -1.555   6.119  -4.034
  763    HA   PHE  75           HA       PHE  75  -3.437   5.495  -1.979
  764   1HB   PHE  75          2HB       PHE  75  -1.674   3.910  -2.680
  765   2HB   PHE  75          3HB       PHE  75  -0.436   4.993  -2.056
  766    HD1  PHE  75          2HD       PHE  75  -3.489   3.104  -0.972
  767    HD2  PHE  75          1HD       PHE  75   0.212   4.826   0.219
  768    HE1  PHE  75          2HE       PHE  75  -3.705   2.066   1.250
  769    HE2  PHE  75          1HE       PHE  75  -0.026   3.808   2.438
  770    HZ   PHE  75           HZ       PHE  75  -1.980   2.403   2.943
  771    QB   PHE  75           QB       PHE  75  -1.055   4.451  -2.368
  772    QR   PHE  75           QR       PHE  75  -1.752   3.451   0.734
  773    H    ALA  76           HN       ALA  76  -0.487   7.465  -1.952
  774    HA   ALA  76           HA       ALA  76  -0.538   8.157   0.802
  775   1HB   ALA  76          2HB       ALA  76   0.388   9.818  -1.582
  776   2HB   ALA  76          3HB       ALA  76   0.807  10.151   0.097
  777   3HB   ALA  76          1HB       ALA  76   1.376   8.677  -0.678
  778    QB   ALA  76           QB       ALA  76   0.857   9.549  -0.721
  779    H    ALA  77           HN       ALA  77  -1.872  10.017  -1.937
  780    HA   ALA  77           HA       ALA  77  -3.172  11.974  -0.253
  781   1HB   ALA  77          1HB       ALA  77  -3.908  11.074  -3.068
  782   2HB   ALA  77          2HB       ALA  77  -4.514  12.525  -2.270
  783   3HB   ALA  77          3HB       ALA  77  -2.806  12.387  -2.667
  784    QB   ALA  77           QB       ALA  77  -3.743  11.995  -2.668
  785    CH2  TRP  78           CH2      TRP  78  -7.341   3.376   1.519
  786    H    TRP  78           HN       TRP  78  -4.522   9.270  -2.078
  787    HA   TRP  78           HA       TRP  78  -7.141   9.186  -1.219
  788   1HB   TRP  78          2HB       TRP  78  -6.249   7.587  -2.795
  789   2HB   TRP  78          3HB       TRP  78  -5.138   6.963  -1.620
  790    HD1  TRP  78           HD1      TRP  78  -8.773   6.581  -2.759
  791    HE1  TRP  78           HE1      TRP  78  -9.880   4.766  -1.454
  792    HE3  TRP  78           HE3      TRP  78  -5.028   5.572   0.360
  793    HZ2  TRP  78           HZ2      TRP  78  -9.300   3.086   0.711
  794    HZ3  TRP  78           HZ3      TRP  78  -5.353   3.865   2.123
  795    HH2  TRP  78           HH2      TRP  78  -7.467   2.642   2.300
  796    QB   TRP  78           QB       TRP  78  -5.693   7.275  -2.208
  797    H    VAL  79           HN       VAL  79  -4.443   7.549   0.417
  798    HA   VAL  79           HA       VAL  79  -5.620   6.592   2.722
  799    HB   VAL  79           HB       VAL  79  -2.934   7.846   2.170
  800   1HG1  VAL  79          3HG1      VAL  79  -3.871   7.023   4.940
  801   2HG1  VAL  79          1HG1      VAL  79  -2.205   7.370   4.501
  802   3HG1  VAL  79          2HG1      VAL  79  -3.411   8.644   4.446
  803   1HG2  VAL  79          3HG2      VAL  79  -3.817   5.125   3.185
  804   2HG2  VAL  79          1HG2      VAL  79  -3.308   5.503   1.548
  805   3HG2  VAL  79          2HG2      VAL  79  -2.151   5.587   2.863
  806    QG1  VAL  79           QG1      VAL  79  -3.162   7.679   4.629
  807    QG2  VAL  79           QG2      VAL  79  -3.092   5.405   2.532
  808    QQG  VAL  79           QQG      VAL  79  -3.127   6.542   3.580
  809    H    LYS  80           HN       LYS  80  -4.358   9.832   2.174
  810    HA   LYS  80           HA       LYS  80  -5.275  10.952   4.592
  811   1HB   LYS  80          2HB       LYS  80  -3.901  11.840   2.351
  812   2HB   LYS  80          3HB       LYS  80  -5.363  12.789   2.284
  813   1HG   LYS  80          2HG       LYS  80  -4.224  12.654   5.001
  814   2HG   LYS  80          3HG       LYS  80  -3.104  13.325   3.837
  815   1HD   LYS  80          2HD       LYS  80  -4.226  15.241   4.534
  816   2HD   LYS  80          3HD       LYS  80  -5.138  14.819   3.097
  817   1HE   LYS  80          2HE       LYS  80  -5.991  13.763   5.794
  818   2HE   LYS  80          3HE       LYS  80  -6.418  15.393   5.311
  819   1HZ   LYS  80          2HZ       LYS  80  -7.000  13.752   3.159
  820   2HZ   LYS  80          3HZ       LYS  80  -7.615  12.965   4.542
  821   3HZ   LYS  80          1HZ       LYS  80  -8.087  14.563   4.168
  822    QB   LYS  80           QB       LYS  80  -4.632  12.314   2.318
  823    QG   LYS  80           QG       LYS  80  -3.664  12.990   4.419
  824    QD   LYS  80           QD       LYS  80  -4.682  15.030   3.816
  825    QE   LYS  80           QE       LYS  80  -6.204  14.578   5.552
  826    QZ   LYS  80           QZ       LYS  80  -7.567  13.760   3.956
  827    H    GLU  81           HN       GLU  81  -6.824  11.278   1.390
  828    HA   GLU  81           HA       GLU  81  -9.289  12.294   2.610
  829   1HB   GLU  81          2HB       GLU  81  -8.395  11.664  -0.196
  830   2HB   GLU  81          3HB       GLU  81 -10.102  11.937   0.125
  831   1HG   GLU  81          2HG       GLU  81  -9.049  14.056  -0.492
  832   2HG   GLU  81          3HG       GLU  81  -9.529  14.119   1.197
  833    QB   GLU  81           QB       GLU  81  -9.249  11.800  -0.036
  834    QG   GLU  81           QG       GLU  81  -9.289  14.087   0.353
  835    H    ASN  82           HN       ASN  82  -8.504   9.601   3.377
  836    HA   ASN  82           HA       ASN  82 -11.147   8.328   2.943
  837   1HB   ASN  82          2HB       ASN  82  -8.478   7.045   2.318
  838   2HB   ASN  82          3HB       ASN  82  -9.880   6.068   2.735
  839   1HD2  ASN  82          2HD2      ASN  82  -9.890   8.175  -0.770
  840   2HD2  ASN  82          1HD2      ASN  82  -8.895   8.668   0.509
  841    QB   ASN  82           QB       ASN  82  -9.179   6.557   2.527
  842    QD2  ASN  82           QD2      ASN  82  -9.392   8.422  -0.130
  843    H    LEU  83           HN       LEU  83  -8.078   8.283   4.689
  844    HA   LEU  83           HA       LEU  83  -9.403   6.809   6.884
  845   1HB   LEU  83          2HB       LEU  83  -6.500   7.660   6.602
  846   2HB   LEU  83          3HB       LEU  83  -7.143   6.519   7.774
  847    HG   LEU  83           HG       LEU  83  -7.084   6.171   4.755
  848   1HD1  LEU  83          1HD1      LEU  83  -5.805   4.631   7.025
  849   2HD1  LEU  83          2HD1      LEU  83  -5.690   4.212   5.316
  850   3HD1  LEU  83          3HD1      LEU  83  -4.973   5.704   5.906
  851   1HD2  LEU  83          1HD2      LEU  83  -8.317   4.385   6.887
  852   2HD2  LEU  83          2HD2      LEU  83  -9.193   5.237   5.619
  853   3HD2  LEU  83          3HD2      LEU  83  -8.091   3.932   5.202
  854    QB   LEU  83           QB       LEU  83  -6.821   7.090   7.188
  855    QD1  LEU  83           QD1      LEU  83  -5.489   4.849   6.082
  856    QD2  LEU  83           QD2      LEU  83  -8.534   4.518   5.903
  857    QQD  LEU  83           QQD      LEU  83  -7.012   4.683   5.993
  858    H    ASP  84           HN       ASP  84  -8.274  10.028   6.127
  859    HA   ASP  84           HA       ASP  84  -8.641  10.901   8.964
  860   1HB   ASP  84          2HB       ASP  84  -7.902  12.556   6.527
  861   2HB   ASP  84          3HB       ASP  84  -7.828  13.084   8.199
  862    QB   ASP  84           QB       ASP  84  -7.865  12.820   7.363
  863    H    ALA  85           HN       ALA  85  -9.864  11.346   5.737
  864    HA   ALA  85           HA       ALA  85 -12.430  12.387   6.846
  865   1HB   ALA  85          1HB       ALA  85 -11.214  14.161   5.575
  866   2HB   ALA  85          2HB       ALA  85 -11.144  13.091   4.179
  867   3HB   ALA  85          3HB       ALA  85 -12.699  13.684   4.754
  868    QB   ALA  85           QB       ALA  85 -11.685  13.645   4.836
   
  Start of MODEL          12
 Raw file had 868 H/Q atoms
  Start of MODEL   12
    1    H    MET   1           HN       MET   1  -8.269  -3.149   8.232
    2    HA   MET   1           HA       MET   1  -9.276  -2.551   5.661
    3   1HB   MET   1          2HB       MET   1  -9.061  -0.185   6.327
    4   2HB   MET   1          3HB       MET   1  -7.410  -0.461   6.864
    5   1HG   MET   1          2HG       MET   1  -6.642  -0.832   4.648
    6   2HG   MET   1          3HG       MET   1  -8.262  -1.053   4.038
    7   1HE   MET   1          1HE       MET   1 -10.057   0.861   4.045
    8   2HE   MET   1          2HE       MET   1  -9.543   2.142   2.951
    9   3HE   MET   1          3HE       MET   1  -9.256   0.456   2.522
   10    QB   MET   1           QB       MET   1  -8.236  -0.323   6.596
   11    QG   MET   1           QG       MET   1  -7.452  -0.943   4.343
   12    QE   MET   1           QE       MET   1  -9.618   1.153   3.173
   13    H    GLN   2           HN       GLN   2  -7.623  -3.082   4.059
   14    HA   GLN   2           HA       GLN   2  -5.127  -4.255   5.186
   15   1HB   GLN   2          2HB       GLN   2  -6.940  -5.490   3.083
   16   2HB   GLN   2          3HB       GLN   2  -5.448  -6.181   3.691
   17   1HG   GLN   2          2HG       GLN   2  -6.463  -6.230   5.994
   18   2HG   GLN   2          3HG       GLN   2  -7.976  -5.662   5.294
   19   1HE2  GLN   2          1HE2      GLN   2  -8.898  -8.863   4.181
   20   2HE2  GLN   2          2HE2      GLN   2  -9.354  -7.254   4.456
   21    QB   GLN   2           QB       GLN   2  -6.194  -5.836   3.387
   22    QG   GLN   2           QG       GLN   2  -7.219  -5.946   5.644
   23    QE2  GLN   2           QE2      GLN   2  -9.126  -8.058   4.318
   24    H    THR   3           HN       THR   3  -3.309  -4.104   3.685
   25    HA   THR   3           HA       THR   3  -3.943  -2.820   1.061
   26    HB   THR   3           HB       THR   3  -1.987  -1.797   3.161
   27    HG1  THR   3          1HG       THR   3  -4.536  -1.336   2.329
   28   1HG2  THR   3          1HG2      THR   3  -1.024  -1.585   0.799
   29   2HG2  THR   3          2HG2      THR   3  -2.501  -0.738   0.337
   30   3HG2  THR   3          3HG2      THR   3  -1.419  -0.037   1.533
   31    QG2  THR   3           QG2      THR   3  -1.648  -0.787   0.890
   32    H    VAL   4           HN       VAL   4  -2.725  -3.443  -0.657
   33    HA   VAL   4           HA       VAL   4  -0.331  -5.213  -0.140
   34    HB   VAL   4           HB       VAL   4  -2.295  -5.454  -2.449
   35   1HG1  VAL   4          3HG1      VAL   4   0.029  -7.195  -1.507
   36   2HG1  VAL   4          1HG1      VAL   4  -1.030  -7.565  -2.863
   37   3HG1  VAL   4          2HG1      VAL   4   0.040  -6.172  -2.939
   38   1HG2  VAL   4          2HG2      VAL   4  -3.324  -6.165  -0.298
   39   2HG2  VAL   4          3HG2      VAL   4  -3.020  -7.549  -1.342
   40   3HG2  VAL   4          1HG2      VAL   4  -1.945  -7.211   0.012
   41    QG1  VAL   4           QG1      VAL   4  -0.320  -6.977  -2.436
   42    QG2  VAL   4           QG2      VAL   4  -2.763  -6.975  -0.543
   43    QQG  VAL   4           QQG      VAL   4  -1.542  -6.976  -1.490
   44    H    ILE   5           HN       ILE   5   1.463  -4.598  -1.092
   45    HA   ILE   5           HA       ILE   5   1.337  -2.382  -3.110
   46    HB   ILE   5           HB       ILE   5   3.767  -3.228  -1.506
   47   1HG1  ILE   5          2HG1      ILE   5   2.067  -2.631   0.149
   48   2HG1  ILE   5          3HG1      ILE   5   3.287  -1.374   0.066
   49   1HG2  ILE   5          2HG2      ILE   5   3.023  -0.673  -2.972
   50   2HG2  ILE   5          3HG2      ILE   5   4.510  -0.911  -2.053
   51   3HG2  ILE   5          1HG2      ILE   5   4.196  -1.874  -3.496
   52   1HD1  ILE   5          1HD1      ILE   5   1.787  -0.032  -1.397
   53   2HD1  ILE   5          2HD1      ILE   5   0.566  -1.284  -1.255
   54   3HD1  ILE   5          3HD1      ILE   5   1.058  -0.371   0.167
   55    QG1  ILE   5           QG1      ILE   5   2.677  -2.003   0.108
   56    QG2  ILE   5           QG2      ILE   5   3.910  -1.153  -2.840
   57    QD1  ILE   5           QD1      ILE   5   1.137  -0.562  -0.828
   58    H    PHE   6           HN       PHE   6   2.025  -2.868  -5.148
   59    HA   PHE   6           HA       PHE   6   3.441  -5.462  -5.580
   60   1HB   PHE   6          2HB       PHE   6   1.570  -3.841  -7.344
   61   2HB   PHE   6          3HB       PHE   6   2.608  -5.090  -8.009
   62    HD1  PHE   6          2HD       PHE   6   0.026  -4.601  -5.318
   63    HD2  PHE   6          1HD       PHE   6   1.843  -7.304  -8.062
   64    HE1  PHE   6          2HE       PHE   6  -1.660  -6.302  -4.767
   65    HE2  PHE   6          1HE       PHE   6   0.130  -8.981  -7.555
   66    HZ   PHE   6           HZ       PHE   6  -1.623  -8.491  -5.899
   67    QB   PHE   6           QB       PHE   6   2.089  -4.465  -7.676
   68    QR   PHE   6           QR       PHE   6   0.085  -6.797  -6.426
   69    H    GLY   7           HN       GLY   7   5.369  -4.167  -4.946
   70   1HA   GLY   7          1HA       GLY   7   6.453  -2.755  -7.362
   71   2HA   GLY   7          2HA       GLY   7   6.642  -2.014  -5.767
   72    QA   GLY   7           QA       GLY   7   6.548  -2.385  -6.565
   73    NH1  ARG   8           NH1      ARG   8  15.525  -2.668  -6.780
   74    NH2  ARG   8           NH2      ARG   8  15.963  -3.920  -8.634
   75    H    ARG   8           HN       ARG   8   9.014  -2.311  -6.127
   76    HA   ARG   8           HA       ARG   8   9.697  -5.130  -5.423
   77   1HB   ARG   8          2HB       ARG   8  11.769  -5.066  -6.652
   78   2HB   ARG   8          3HB       ARG   8  10.445  -4.704  -7.738
   79   1HG   ARG   8          2HG       ARG   8  10.985  -2.377  -7.800
   80   2HG   ARG   8          3HG       ARG   8  12.110  -2.523  -6.457
   81   1HD   ARG   8          2HD       ARG   8  12.470  -3.933  -9.128
   82   2HD   ARG   8          3HD       ARG   8  13.202  -2.379  -8.737
   83    HE   ARG   8           HE       ARG   8  13.780  -4.835  -7.104
   84   1HH1  ARG   8          2HH1      ARG   8  14.861  -2.390  -6.079
   85   2HH1  ARG   8          1HH1      ARG   8  16.446  -2.276  -6.783
   86   1HH2  ARG   8          2HH2      ARG   8  15.637  -4.588  -9.298
   87   2HH2  ARG   8          1HH2      ARG   8  16.891  -3.552  -8.716
   88    QB   ARG   8           QB       ARG   8  11.107  -4.885  -7.195
   89    QG   ARG   8           QG       ARG   8  11.547  -2.450  -7.128
   90    QD   ARG   8           QD       ARG   8  12.836  -3.156  -8.933
   91    QH1  ARG   8           QH1      ARG   8  15.654  -2.333  -6.431
   92    QH2  ARG   8           QH2      ARG   8  16.264  -4.070  -9.007
   93    H    SER   9           HN       SER   9  11.143  -5.443  -3.930
   94    HA   SER   9           HA       SER   9  11.436  -3.549  -1.831
   95   1HB   SER   9          2HB       SER   9  12.986  -6.129  -2.349
   96   2HB   SER   9          3HB       SER   9  12.758  -5.334  -0.779
   97    HG   SER   9           HG       SER   9  10.812  -6.529  -2.485
   98    QB   SER   9           QB       SER   9  12.872  -5.732  -1.564
   99    H    GLY  10           HN       GLY  10  12.310  -1.808  -3.180
  100   1HA   GLY  10          1HA       GLY  10  14.836  -0.969  -2.694
  101   2HA   GLY  10          2HA       GLY  10  15.125  -2.064  -4.034
  102    QA   GLY  10           QA       GLY  10  14.980  -1.516  -3.364
  103    H    CYS  11           HN       CYS  11  12.073  -0.571  -4.274
  104    HA   CYS  11           HA       CYS  11  13.202   1.556  -6.047
  105   1HB   CYS  11          2HB       CYS  11  10.795   1.387  -7.064
  106   2HB   CYS  11          3HB       CYS  11  12.040   0.266  -7.548
  107    QB   CYS  11           QB       CYS  11  11.418   0.826  -7.306
  108    HA   PRO  12           HA       PRO  12  11.946   4.348  -2.950
  109   1HB   PRO  12          2HB       PRO  12  11.105   6.143  -5.206
  110   2HB   PRO  12          3HB       PRO  12  12.176   6.482  -3.843
  111   1HG   PRO  12          2HG       PRO  12  13.117   5.975  -6.374
  112   2HG   PRO  12          3HG       PRO  12  14.038   5.579  -4.922
  113   1HD   PRO  12          2HD       PRO  12  12.649   3.745  -6.805
  114   2HD   PRO  12          3HD       PRO  12  13.947   3.394  -5.645
  115    QB   PRO  12           QB       PRO  12  11.641   6.313  -4.524
  116    QG   PRO  12           QG       PRO  12  13.578   5.777  -5.648
  117    QD   PRO  12           QD       PRO  12  13.298   3.570  -6.225
  118    OH   TYR  13           OH       TYR  13   7.963   9.508  -8.651
  119    H    TYR  13           HN       TYR  13   9.671   4.751  -5.666
  120    HA   TYR  13           HA       TYR  13   7.378   5.359  -4.218
  121   1HB   TYR  13          2HB       TYR  13   7.633   3.679  -6.731
  122   2HB   TYR  13          3HB       TYR  13   6.094   4.274  -6.112
  123    HD1  TYR  13           HD1      TYR  13   5.971   6.818  -5.618
  124    HD2  TYR  13           HD2      TYR  13   8.884   5.102  -8.192
  125    HE1  TYR  13           HE1      TYR  13   6.296   8.993  -6.680
  126    HE2  TYR  13           HE2      TYR  13   9.223   7.293  -9.252
  127    HH   TYR  13           HH       TYR  13   7.664  10.195  -8.052
  128    QB   TYR  13           QB       TYR  13   6.864   3.976  -6.421
  129    QR   TYR  13           QR       TYR  13   7.593   7.051  -7.436
  130    H    CYS  14           HN       CYS  14   8.718   2.145  -4.737
  131    HA   CYS  14           HA       CYS  14   6.415   0.760  -3.592
  132   1HB   CYS  14          2HB       CYS  14   9.159  -0.440  -3.780
  133   2HB   CYS  14          3HB       CYS  14   7.613  -1.176  -4.100
  134    QB   CYS  14           QB       CYS  14   8.386  -0.808  -3.940
  135    H    VAL  15           HN       VAL  15   9.765   1.201  -2.630
  136    HA   VAL  15           HA       VAL  15   9.730   0.199  -0.029
  137    HB   VAL  15           HB       VAL  15  11.192   2.658  -1.053
  138   1HG1  VAL  15          3HG1      VAL  15  11.166   2.512   1.446
  139   2HG1  VAL  15          1HG1      VAL  15  11.800   0.871   1.338
  140   3HG1  VAL  15          2HG1      VAL  15  12.774   2.230   0.789
  141   1HG2  VAL  15          3HG2      VAL  15  11.978  -0.276  -0.855
  142   2HG2  VAL  15          1HG2      VAL  15  11.623   0.591  -2.342
  143   3HG2  VAL  15          2HG2      VAL  15  13.040   1.022  -1.393
  144    QG1  VAL  15           QG1      VAL  15  11.913   1.871   1.191
  145    QG2  VAL  15           QG2      VAL  15  12.214   0.446  -1.530
  146    QQG  VAL  15           QQG      VAL  15  12.064   1.158  -0.170
  147    NH1  ARG  16           NH1      ARG  16   4.341   8.807   2.424
  148    NH2  ARG  16           NH2      ARG  16   4.892   7.487   4.189
  149    H    ARG  16           HN       ARG  16   8.781   3.407  -1.189
  150    HA   ARG  16           HA       ARG  16   8.110   4.446   1.387
  151   1HB   ARG  16          2HB       ARG  16   8.454   5.601  -1.026
  152   2HB   ARG  16          3HB       ARG  16   6.703   5.476  -1.052
  153   1HG   ARG  16          2HG       ARG  16   8.447   6.923   0.956
  154   2HG   ARG  16          3HG       ARG  16   7.193   7.584  -0.079
  155   1HD   ARG  16          2HD       ARG  16   5.469   6.280   1.206
  156   2HD   ARG  16          3HD       ARG  16   6.739   5.695   2.275
  157    HE   ARG  16           HE       ARG  16   7.097   8.307   2.657
  158   1HH1  ARG  16          2HH1      ARG  16   4.597   9.225   1.544
  159   2HH1  ARG  16          1HH1      ARG  16   3.445   8.996   2.817
  160   1HH2  ARG  16          2HH2      ARG  16   5.564   6.867   4.623
  161   2HH2  ARG  16          1HH2      ARG  16   4.029   7.677   4.645
  162    QB   ARG  16           QB       ARG  16   7.578   5.539  -1.039
  163    QG   ARG  16           QG       ARG  16   7.820   7.253   0.438
  164    QD   ARG  16           QD       ARG  16   6.104   5.988   1.741
  165    QH1  ARG  16           QH1      ARG  16   4.021   9.110   2.180
  166    QH2  ARG  16           QH2      ARG  16   4.797   7.272   4.634
  167    H    ALA  17           HN       ALA  17   5.933   3.481  -1.328
  168    HA   ALA  17           HA       ALA  17   3.479   3.565  -0.044
  169   1HB   ALA  17          1HB       ALA  17   3.810   2.754  -2.373
  170   2HB   ALA  17          2HB       ALA  17   4.473   1.252  -1.743
  171   3HB   ALA  17          3HB       ALA  17   2.787   1.662  -1.452
  172    QB   ALA  17           QB       ALA  17   3.690   1.889  -1.856
  173    H    LYS  18           HN       LYS  18   5.928   1.072   0.237
  174    HA   LYS  18           HA       LYS  18   4.586  -0.690   2.008
  175   1HB   LYS  18          2HB       LYS  18   6.602  -1.259   0.696
  176   2HB   LYS  18          3HB       LYS  18   7.539  -0.074   1.579
  177   1HG   LYS  18          2HG       LYS  18   6.159  -2.323   3.032
  178   2HG   LYS  18          3HG       LYS  18   7.731  -2.560   2.282
  179   1HD   LYS  18          2HD       LYS  18   8.474  -0.440   3.560
  180   2HD   LYS  18          3HD       LYS  18   6.989  -0.630   4.483
  181   1HE   LYS  18          2HE       LYS  18   7.693  -2.980   5.039
  182   2HE   LYS  18          3HE       LYS  18   9.203  -2.701   4.186
  183   1HZ   LYS  18          1HZ       LYS  18   8.764  -0.646   6.110
  184   2HZ   LYS  18          2HZ       LYS  18   8.606  -2.160   6.833
  185   3HZ   LYS  18          3HZ       LYS  18  10.042  -1.775   6.018
  186    QB   LYS  18           QB       LYS  18   7.070  -0.666   1.137
  187    QG   LYS  18           QG       LYS  18   6.945  -2.442   2.657
  188    QD   LYS  18           QD       LYS  18   7.731  -0.535   4.021
  189    QE   LYS  18           QE       LYS  18   8.448  -2.840   4.612
  190    QZ   LYS  18           QZ       LYS  18   9.137  -1.527   6.320
  191    H    ASP  19           HN       ASP  19   7.103   1.779   2.708
  192    HA   ASP  19           HA       ASP  19   6.915   1.845   5.493
  193   1HB   ASP  19          2HB       ASP  19   8.547   3.282   4.472
  194   2HB   ASP  19          3HB       ASP  19   7.325   4.121   3.529
  195    QB   ASP  19           QB       ASP  19   7.936   3.702   4.000
  196    H    LEU  20           HN       LEU  20   4.946   3.732   3.224
  197    HA   LEU  20           HA       LEU  20   3.288   5.054   5.074
  198   1HB   LEU  20          2HB       LEU  20   3.332   5.475   2.600
  199   2HB   LEU  20          3HB       LEU  20   2.484   3.964   2.349
  200    HG   LEU  20           HG       LEU  20   0.522   4.817   3.590
  201   1HD1  LEU  20          1HD1      LEU  20   2.132   7.390   3.834
  202   2HD1  LEU  20          2HD1      LEU  20   0.449   7.192   4.306
  203   3HD1  LEU  20          3HD1      LEU  20   1.708   6.328   5.172
  204   1HD2  LEU  20          2HD2      LEU  20   0.733   5.297   1.142
  205   2HD2  LEU  20          3HD2      LEU  20  -0.161   6.555   1.981
  206   3HD2  LEU  20          1HD2      LEU  20   1.518   6.817   1.523
  207    QB   LEU  20           QB       LEU  20   2.908   4.720   2.475
  208    QD1  LEU  20           QD1      LEU  20   1.430   6.970   4.437
  209    QD2  LEU  20           QD2      LEU  20   0.697   6.223   1.549
  210    QQD  LEU  20           QQD      LEU  20   1.063   6.596   2.993
  211    H    ALA  21           HN       ALA  21   2.629   1.938   3.443
  212    HA   ALA  21           HA       ALA  21   0.292   1.278   4.883
  213   1HB   ALA  21          3HB       ALA  21   1.130  -0.043   2.948
  214   2HB   ALA  21          1HB       ALA  21   2.480  -0.618   3.919
  215   3HB   ALA  21          2HB       ALA  21   0.835  -1.091   4.330
  216    QB   ALA  21           QB       ALA  21   1.482  -0.584   3.732
  217    H    GLU  22           HN       GLU  22   3.611   0.274   5.587
  218    HA   GLU  22           HA       GLU  22   3.191  -1.047   8.027
  219   1HB   GLU  22          2HB       GLU  22   5.313  -0.718   6.506
  220   2HB   GLU  22          3HB       GLU  22   5.630   0.658   7.554
  221   1HG   GLU  22          2HG       GLU  22   5.844  -0.693   9.463
  222   2HG   GLU  22          3HG       GLU  22   5.010  -2.058   8.733
  223    QB   GLU  22           QB       GLU  22   5.471  -0.030   7.030
  224    QG   GLU  22           QG       GLU  22   5.427  -1.375   9.098
  225    H    LYS  23           HN       LYS  23   3.718   2.354   7.418
  226    HA   LYS  23           HA       LYS  23   3.847   3.315  10.077
  227   1HB   LYS  23          2HB       LYS  23   4.450   4.713   8.175
  228   2HB   LYS  23          3HB       LYS  23   2.872   4.523   7.461
  229   1HG   LYS  23          2HG       LYS  23   2.806   6.688   8.350
  230   2HG   LYS  23          3HG       LYS  23   1.949   5.735   9.544
  231   1HD   LYS  23          2HD       LYS  23   3.769   5.770  11.066
  232   2HD   LYS  23          3HD       LYS  23   4.923   6.224   9.811
  233   1HE   LYS  23          2HE       LYS  23   4.354   8.162  11.250
  234   2HE   LYS  23          3HE       LYS  23   3.846   8.433   9.587
  235   1HZ   LYS  23          1HZ       LYS  23   1.771   7.150  11.054
  236   2HZ   LYS  23          2HZ       LYS  23   2.250   8.575  11.844
  237   3HZ   LYS  23          3HZ       LYS  23   1.730   8.606  10.221
  238    QB   LYS  23           QB       LYS  23   3.661   4.618   7.818
  239    QG   LYS  23           QG       LYS  23   2.378   6.212   8.947
  240    QD   LYS  23           QD       LYS  23   4.346   5.997  10.438
  241    QE   LYS  23           QE       LYS  23   4.100   8.298  10.419
  242    QZ   LYS  23           QZ       LYS  23   1.917   8.110  11.040
  243    H    LEU  24           HN       LEU  24   1.105   3.294   7.812
  244    HA   LEU  24           HA       LEU  24  -0.898   4.118   9.594
  245   1HB   LEU  24          2HB       LEU  24  -0.973   2.173   7.278
  246   2HB   LEU  24          3HB       LEU  24  -2.436   2.592   8.165
  247    HG   LEU  24           HG       LEU  24  -0.573   4.671   6.960
  248   1HD1  LEU  24          2HD1      LEU  24  -3.114   3.445   5.837
  249   2HD1  LEU  24          3HD1      LEU  24  -2.242   4.804   5.137
  250   3HD1  LEU  24          1HD1      LEU  24  -1.497   3.215   5.194
  251   1HD2  LEU  24          2HD2      LEU  24  -3.459   4.769   7.963
  252   2HD2  LEU  24          3HD2      LEU  24  -2.078   5.449   8.799
  253   3HD2  LEU  24          1HD2      LEU  24  -2.584   6.125   7.264
  254    QB   LEU  24           QB       LEU  24  -1.704   2.382   7.722
  255    QD1  LEU  24           QD1      LEU  24  -2.284   3.821   5.389
  256    QD2  LEU  24           QD2      LEU  24  -2.707   5.447   8.009
  257    QQD  LEU  24           QQD      LEU  24  -2.496   4.634   6.699
  258    H    SER  25           HN       SER  25   0.061   0.779   8.966
  259    HA   SER  25           HA       SER  25  -1.578  -0.685  10.593
  260   1HB   SER  25          2HB       SER  25   1.438  -0.957  10.348
  261   2HB   SER  25          3HB       SER  25   0.352  -2.228  10.951
  262    HG   SER  25           HG       SER  25  -0.839  -2.000   9.013
  263    QB   SER  25           QB       SER  25   0.895  -1.593  10.650
  264    H    ASN  26           HN       ASN  26   0.726   1.594  11.801
  265    HA   ASN  26           HA       ASN  26   0.113   0.669  14.572
  266   1HB   ASN  26          2HB       ASN  26   2.609   1.973  13.435
  267   2HB   ASN  26          3HB       ASN  26   2.362   1.586  15.137
  268   1HD2  ASN  26          2HD2      ASN  26   3.206  -1.434  12.532
  269   2HD2  ASN  26          1HD2      ASN  26   2.958   0.135  11.922
  270    QB   ASN  26           QB       ASN  26   2.486   1.780  14.286
  271    QD2  ASN  26           QD2      ASN  26   3.082  -0.650  12.227
  272    H    GLU  27           HN       GLU  27   0.408   3.437  12.429
  273    HA   GLU  27           HA       GLU  27  -0.126   5.377  14.551
  274   1HB   GLU  27          2HB       GLU  27  -0.164   7.002  12.715
  275   2HB   GLU  27          3HB       GLU  27   1.189   5.911  12.486
  276   1HG   GLU  27          2HG       GLU  27   0.337   5.156  10.551
  277   2HG   GLU  27          3HG       GLU  27  -1.280   4.989  11.216
  278    QB   GLU  27           QB       GLU  27   0.512   6.456  12.600
  279    QG   GLU  27           QG       GLU  27  -0.472   5.072  10.883
  280    NH1  ARG  28           NH1      ARG  28  -5.969   8.462  10.028
  281    NH2  ARG  28           NH2      ARG  28  -4.650   8.967  11.780
  282    H    ARG  28           HN       ARG  28  -1.981   3.407  12.505
  283    HA   ARG  28           HA       ARG  28  -4.462   4.906  13.133
  284   1HB   ARG  28          2HB       ARG  28  -3.524   4.350  10.671
  285   2HB   ARG  28          3HB       ARG  28  -4.295   2.806  10.977
  286   1HG   ARG  28          2HG       ARG  28  -5.700   4.552   9.737
  287   2HG   ARG  28          3HG       ARG  28  -6.470   3.793  11.112
  288   1HD   ARG  28          2HD       ARG  28  -6.867   6.235  11.074
  289   2HD   ARG  28          3HD       ARG  28  -5.988   5.764  12.506
  290    HE   ARG  28           HE       ARG  28  -3.898   6.559  10.938
  291   1HH1  ARG  28          2HH1      ARG  28  -6.380   7.779   9.430
  292   2HH1  ARG  28          1HH1      ARG  28  -6.207   9.436   9.912
  293   1HH2  ARG  28          2HH2      ARG  28  -4.006   8.668  12.489
  294   2HH2  ARG  28          1HH2      ARG  28  -4.922   9.941  11.701
  295    QB   ARG  28           QB       ARG  28  -3.910   3.578  10.824
  296    QG   ARG  28           QG       ARG  28  -6.085   4.172  10.424
  297    QD   ARG  28           QD       ARG  28  -6.427   6.000  11.790
  298    QH1  ARG  28           QH1      ARG  28  -6.294   8.608   9.671
  299    QH2  ARG  28           QH2      ARG  28  -4.464   9.304  12.095
  300    H    ASP  29           HN       ASP  29  -6.131   2.514  12.441
  301    HA   ASP  29           HA       ASP  29  -5.534   0.964  14.934
  302   1HB   ASP  29          2HB       ASP  29  -7.580   2.501  14.860
  303   2HB   ASP  29          3HB       ASP  29  -8.284   1.358  13.733
  304    QB   ASP  29           QB       ASP  29  -7.932   1.930  14.296
  305    H    ASP  30           HN       ASP  30  -7.876   0.239  12.325
  306    HA   ASP  30           HA       ASP  30  -6.855  -2.548  12.376
  307   1HB   ASP  30          2HB       ASP  30  -8.943  -3.164  11.327
  308   2HB   ASP  30          3HB       ASP  30  -9.332  -2.028  12.609
  309    QB   ASP  30           QB       ASP  30  -9.138  -2.596  11.968
  310    H    PHE  31           HN       PHE  31  -4.926  -1.350  11.239
  311    HA   PHE  31           HA       PHE  31  -5.430  -1.491   8.281
  312   1HB   PHE  31          2HB       PHE  31  -4.803   0.775   9.232
  313   2HB   PHE  31          3HB       PHE  31  -3.224   0.103   9.610
  314    HD1  PHE  31          1HD       PHE  31  -1.781  -0.795   7.709
  315    HD2  PHE  31          2HD       PHE  31  -5.390   1.367   6.987
  316    HE1  PHE  31          1HE       PHE  31  -1.131  -0.471   5.373
  317    HE2  PHE  31          2HE       PHE  31  -4.718   1.694   4.655
  318    HZ   PHE  31           HZ       PHE  31  -2.597   0.770   3.839
  319    QB   PHE  31           QB       PHE  31  -4.014   0.439   9.421
  320    QR   PHE  31           QR       PHE  31  -3.255   0.449   6.181
  321    H    GLN  32           HN       GLN  32  -4.881  -3.533   7.802
  322    HA   GLN  32           HA       GLN  32  -2.173  -4.510   8.635
  323   1HB   GLN  32          2HB       GLN  32  -4.642  -5.946   7.570
  324   2HB   GLN  32          3HB       GLN  32  -3.085  -6.738   7.772
  325   1HG   GLN  32          2HG       GLN  32  -4.573  -5.336  10.029
  326   2HG   GLN  32          3HG       GLN  32  -4.629  -7.073   9.735
  327   1HE2  GLN  32          2HE2      GLN  32  -1.391  -5.473  11.533
  328   2HE2  GLN  32          1HE2      GLN  32  -2.731  -4.526  11.119
  329    QB   GLN  32           QB       GLN  32  -3.863  -6.342   7.671
  330    QG   GLN  32           QG       GLN  32  -4.601  -6.204   9.882
  331    QE2  GLN  32           QE2      GLN  32  -2.061  -4.999  11.326
  332    OH   TYR  33           OH       TYR  33   4.487  -4.149   7.664
  333    H    TYR  33           HN       TYR  33  -0.930  -5.593   6.850
  334    HA   TYR  33           HA       TYR  33  -1.791  -5.019   4.122
  335   1HB   TYR  33          2HB       TYR  33  -0.029  -3.461   3.547
  336   2HB   TYR  33          3HB       TYR  33  -0.846  -2.812   4.966
  337    HD1  TYR  33           HD2      TYR  33   2.234  -4.439   3.751
  338    HD2  TYR  33           HD1      TYR  33   0.223  -2.832   7.140
  339    HE1  TYR  33           HE2      TYR  33   4.281  -4.686   5.091
  340    HE2  TYR  33           HE1      TYR  33   2.253  -3.064   8.467
  341    HH   TYR  33           HH       TYR  33   5.210  -3.558   7.401
  342    QB   TYR  33           QB       TYR  33  -0.437  -3.137   4.256
  343    QR   TYR  33           QR       TYR  33   2.248  -3.755   6.112
  344    H    GLN  34           HN       GLN  34  -0.158  -5.683   2.589
  345    HA   GLN  34           HA       GLN  34   1.799  -7.676   3.595
  346   1HB   GLN  34          2HB       GLN  34  -0.425  -8.779   2.970
  347   2HB   GLN  34          3HB       GLN  34  -0.172  -8.207   1.329
  348   1HG   GLN  34          2HG       GLN  34   0.576 -10.554   1.579
  349   2HG   GLN  34          3HG       GLN  34   1.941  -9.508   1.203
  350   1HE2  GLN  34          2HE2      GLN  34   1.698 -11.243   4.900
  351   2HE2  GLN  34          1HE2      GLN  34   0.341 -11.251   3.879
  352    QB   GLN  34           QB       GLN  34  -0.299  -8.493   2.150
  353    QG   GLN  34           QG       GLN  34   1.258 -10.031   1.391
  354    QE2  GLN  34           QE2      GLN  34   1.019 -11.247   4.390
  355    OH   TYR  35           OH       TYR  35   8.322  -3.559  -3.152
  356    H    TYR  35           HN       TYR  35   3.593  -7.875   2.161
  357    HA   TYR  35           HA       TYR  35   3.631  -5.704   0.086
  358   1HB   TYR  35          2HB       TYR  35   5.385  -5.555   1.894
  359   2HB   TYR  35          3HB       TYR  35   6.025  -7.100   1.338
  360    HD1  TYR  35           HD1      TYR  35   7.142  -7.271  -0.872
  361    HD2  TYR  35           HD2      TYR  35   5.596  -3.540   0.468
  362    HE1  TYR  35           HE1      TYR  35   8.331  -6.133  -2.675
  363    HE2  TYR  35           HE2      TYR  35   6.822  -2.396  -1.330
  364    HH   TYR  35           HH       TYR  35   8.385  -4.203  -3.871
  365    QB   TYR  35           QB       TYR  35   5.705  -6.328   1.616
  366    QR   TYR  35           QR       TYR  35   6.973  -4.835  -1.102
  367    H    VAL  36           HN       VAL  36   3.938  -6.239  -1.985
  368    HA   VAL  36           HA       VAL  36   4.471  -9.112  -2.608
  369    HB   VAL  36           HB       VAL  36   2.359  -7.163  -3.494
  370   1HG1  VAL  36          2HG1      VAL  36   3.577  -9.244  -5.381
  371   2HG1  VAL  36          3HG1      VAL  36   2.098  -8.346  -5.675
  372   3HG1  VAL  36          1HG1      VAL  36   3.637  -7.501  -5.613
  373   1HG2  VAL  36          2HG2      VAL  36   1.858  -9.118  -2.076
  374   2HG2  VAL  36          3HG2      VAL  36   1.051  -9.254  -3.635
  375   3HG2  VAL  36          1HG2      VAL  36   2.503 -10.201  -3.311
  376    QG1  VAL  36           QG1      VAL  36   3.104  -8.364  -5.556
  377    QG2  VAL  36           QG2      VAL  36   1.804  -9.524  -3.007
  378    QQG  VAL  36           QQG      VAL  36   2.454  -8.944  -4.282
  379    H    ASP  37           HN       ASP  37   5.959  -9.407  -4.323
  380    HA   ASP  37           HA       ASP  37   7.388  -6.922  -5.124
  381   1HB   ASP  37          2HB       ASP  37   8.582  -8.635  -3.565
  382   2HB   ASP  37          3HB       ASP  37   8.760  -9.569  -5.041
  383    QB   ASP  37           QB       ASP  37   8.671  -9.102  -4.303
  384    H    ILE  38           HN       ILE  38   6.680  -6.521  -7.091
  385    HA   ILE  38           HA       ILE  38   5.765  -8.327  -9.033
  386    HB   ILE  38           HB       ILE  38   6.351  -6.562 -10.730
  387   1HG1  ILE  38          2HG1      ILE  38   7.429  -5.117  -8.287
  388   2HG1  ILE  38          3HG1      ILE  38   8.433  -5.885  -9.492
  389   1HG2  ILE  38          2HG2      ILE  38   4.225  -6.491  -9.457
  390   2HG2  ILE  38          3HG2      ILE  38   5.028  -5.603  -8.167
  391   3HG2  ILE  38          1HG2      ILE  38   4.828  -4.864  -9.752
  392   1HD1  ILE  38          2HD1      ILE  38   7.418  -4.394 -11.239
  393   2HD1  ILE  38          3HD1      ILE  38   6.476  -3.610  -9.971
  394   3HD1  ILE  38          1HD1      ILE  38   8.229  -3.477  -9.971
  395    QG1  ILE  38           QG1      ILE  38   7.931  -5.501  -8.889
  396    QG2  ILE  38           QG2      ILE  38   4.694  -5.653  -9.126
  397    QD1  ILE  38           QD1      ILE  38   7.374  -3.827 -10.393
  398    NH1  ARG  39           NH2      ARG  39   9.119  -8.628 -12.811
  399    NH2  ARG  39           NH1      ARG  39  10.255  -6.961 -13.870
  400    H    ARG  39           HN       ARG  39   9.035  -7.744  -8.023
  401    HA   ARG  39           HA       ARG  39  10.094  -8.994 -10.505
  402   1HB   ARG  39          2HB       ARG  39  11.563  -8.121  -7.995
  403   2HB   ARG  39          3HB       ARG  39  12.312  -8.671  -9.481
  404   1HG   ARG  39          2HG       ARG  39  10.555  -6.208  -9.230
  405   2HG   ARG  39          3HG       ARG  39  12.308  -6.188  -9.269
  406   1HD   ARG  39          2HD       ARG  39  11.732  -5.717 -11.509
  407   2HD   ARG  39          3HD       ARG  39  12.061  -7.450 -11.552
  408    HE   ARG  39           HE       ARG  39   9.238  -6.667 -11.072
  409   1HH1  ARG  39          2HH2      ARG  39   8.742  -9.009 -11.967
  410   2HH1  ARG  39          1HH2      ARG  39   8.931  -9.091 -13.674
  411   1HH2  ARG  39          2HH1      ARG  39  10.777  -6.112 -13.802
  412   2HH2  ARG  39          1HH1      ARG  39  10.078  -7.370 -14.770
  413    QB   ARG  39           QB       ARG  39  11.937  -8.396  -8.738
  414    QG   ARG  39           QG       ARG  39  11.432  -6.198  -9.249
  415    QD   ARG  39           QD       ARG  39  11.896  -6.584 -11.531
  416    QH1  ARG  39           QH2      ARG  39   8.837  -9.050 -12.821
  417    QH2  ARG  39           QH1      ARG  39  10.427  -6.741 -14.286
  418    H    ALA  40           HN       ALA  40  10.380  -9.589  -7.001
  419    HA   ALA  40           HA       ALA  40  11.462 -12.169  -7.095
  420   1HB   ALA  40          2HB       ALA  40  11.002 -10.869  -4.988
  421   2HB   ALA  40          3HB       ALA  40   9.309 -11.335  -5.134
  422   3HB   ALA  40          1HB       ALA  40  10.532 -12.564  -4.890
  423    QB   ALA  40           QB       ALA  40  10.281 -11.590  -5.004
  424    H    GLU  41           HN       GLU  41   8.000 -11.353  -7.326
  425    HA   GLU  41           HA       GLU  41   7.212 -14.152  -7.447
  426   1HB   GLU  41          2HB       GLU  41   5.838 -11.500  -7.686
  427   2HB   GLU  41          3HB       GLU  41   4.983 -12.903  -8.307
  428   1HG   GLU  41          2HG       GLU  41   5.310 -14.049  -6.112
  429   2HG   GLU  41          3HG       GLU  41   6.120 -12.608  -5.499
  430    QB   GLU  41           QB       GLU  41   5.410 -12.201  -7.996
  431    QG   GLU  41           QG       GLU  41   5.715 -13.329  -5.806
  432    H    GLY  42           HN       GLY  42   7.898 -11.698  -9.864
  433   1HA   GLY  42          1HA       GLY  42   8.672 -12.340 -12.091
  434   2HA   GLY  42          2HA       GLY  42   7.778 -13.845 -11.938
  435    QA   GLY  42           QA       GLY  42   8.225 -13.093 -12.015
  436    H    ILE  43           HN       ILE  43   6.863 -10.431 -11.556
  437    HA   ILE  43           HA       ILE  43   4.541 -10.956 -13.348
  438    HB   ILE  43           HB       ILE  43   5.000  -8.913 -11.145
  439   1HG1  ILE  43          2HG1      ILE  43   3.167 -11.338 -11.320
  440   2HG1  ILE  43          3HG1      ILE  43   4.660 -11.263 -10.394
  441   1HG2  ILE  43          1HG2      ILE  43   3.545  -8.017 -12.945
  442   2HG2  ILE  43          2HG2      ILE  43   2.515  -9.442 -12.809
  443   3HG2  ILE  43          3HG2      ILE  43   2.642  -8.310 -11.469
  444   1HD1  ILE  43          1HD1      ILE  43   3.705  -9.385  -9.048
  445   2HD1  ILE  43          2HD1      ILE  43   2.192  -9.545  -9.936
  446   3HD1  ILE  43          3HD1      ILE  43   2.751 -10.857  -8.910
  447    QG1  ILE  43           QG1      ILE  43   3.914 -11.301 -10.857
  448    QG2  ILE  43           QG2      ILE  43   2.901  -8.590 -12.408
  449    QD1  ILE  43           QD1      ILE  43   2.882  -9.929  -9.298
  450    H    THR  44           HN       THR  44   4.144  -9.587 -15.103
  451    HA   THR  44           HA       THR  44   6.269  -7.562 -15.668
  452    HB   THR  44           HB       THR  44   5.519  -7.897 -18.117
  453    HG1  THR  44          1HG       THR  44   3.953  -9.325 -18.429
  454   1HG2  THR  44          3HG2      THR  44   7.498  -9.180 -17.146
  455   2HG2  THR  44          1HG2      THR  44   6.373 -10.447 -16.660
  456   3HG2  THR  44          2HG2      THR  44   6.619 -10.094 -18.370
  457    QG2  THR  44           QG2      THR  44   6.830  -9.907 -17.392
  458    H    LYS  45           HN       LYS  45   3.347  -7.703 -17.494
  459    HA   LYS  45           HA       LYS  45   2.199  -5.346 -16.036
  460   1HB   LYS  45          2HB       LYS  45   3.473  -4.535 -18.027
  461   2HB   LYS  45          3HB       LYS  45   2.540  -5.604 -19.063
  462   1HG   LYS  45          2HG       LYS  45   0.454  -4.419 -18.379
  463   2HG   LYS  45          3HG       LYS  45   1.416  -3.314 -17.412
  464   1HD   LYS  45          2HD       LYS  45   2.739  -3.182 -19.817
  465   2HD   LYS  45          3HD       LYS  45   1.092  -3.460 -20.361
  466   1HE   LYS  45          2HE       LYS  45   1.897  -1.275 -18.402
  467   2HE   LYS  45          3HE       LYS  45   1.688  -1.034 -20.126
  468   1HZ   LYS  45          2HZ       LYS  45  -0.618  -2.301 -19.240
  469   2HZ   LYS  45          3HZ       LYS  45  -0.279  -1.072 -18.089
  470   3HZ   LYS  45          1HZ       LYS  45  -0.443  -0.675 -19.743
  471    QB   LYS  45           QB       LYS  45   3.007  -5.069 -18.545
  472    QG   LYS  45           QG       LYS  45   0.935  -3.867 -17.895
  473    QD   LYS  45           QD       LYS  45   1.916  -3.321 -20.089
  474    QE   LYS  45           QE       LYS  45   1.793  -1.154 -19.264
  475    QZ   LYS  45           QZ       LYS  45  -0.447  -1.349 -19.024
  476    H    GLU  46           HN       GLU  46   1.700  -7.595 -18.711
  477    HA   GLU  46           HA       GLU  46  -1.040  -7.602 -18.985
  478   1HB   GLU  46          2HB       GLU  46   0.712 -10.086 -18.985
  479   2HB   GLU  46          3HB       GLU  46  -0.843  -9.917 -19.789
  480   1HG   GLU  46          2HG       GLU  46   0.346  -9.260 -21.622
  481   2HG   GLU  46          3HG       GLU  46   0.588  -7.735 -20.780
  482    QB   GLU  46           QB       GLU  46  -0.066 -10.001 -19.387
  483    QG   GLU  46           QG       GLU  46   0.467  -8.498 -21.201
  484    H    ASP  47           HN       ASP  47   0.740  -9.644 -16.617
  485    HA   ASP  47           HA       ASP  47  -1.580 -10.832 -15.418
  486   1HB   ASP  47          2HB       ASP  47   0.797 -11.510 -14.891
  487   2HB   ASP  47          3HB       ASP  47   1.007 -10.004 -14.015
  488    QB   ASP  47           QB       ASP  47   0.902 -10.757 -14.453
  489    H    LEU  48           HN       LEU  48   0.279  -8.236 -13.835
  490    HA   LEU  48           HA       LEU  48  -1.488  -7.320 -11.993
  491   1HB   LEU  48          2HB       LEU  48   0.148  -5.628 -13.904
  492   2HB   LEU  48          3HB       LEU  48  -0.670  -4.950 -12.505
  493    HG   LEU  48           HG       LEU  48   1.270  -7.263 -12.323
  494   1HD1  LEU  48          2HD1      LEU  48   2.398  -5.230 -13.212
  495   2HD1  LEU  48          3HD1      LEU  48   1.773  -4.307 -11.848
  496   3HD1  LEU  48          1HD1      LEU  48   2.936  -5.603 -11.578
  497   1HD2  LEU  48          1HD2      LEU  48  -0.337  -6.991 -10.425
  498   2HD2  LEU  48          2HD2      LEU  48   1.314  -6.644  -9.940
  499   3HD2  LEU  48          3HD2      LEU  48   0.195  -5.323 -10.242
  500    QB   LEU  48           QB       LEU  48  -0.261  -5.289 -13.205
  501    QD1  LEU  48           QD1      LEU  48   2.369  -5.047 -12.213
  502    QD2  LEU  48           QD2      LEU  48   0.390  -6.319 -10.202
  503    QQD  LEU  48           QQD      LEU  48   1.380  -5.683 -11.208
  504    H    GLN  49           HN       GLN  49  -1.659  -6.322 -15.397
  505    HA   GLN  49           HA       GLN  49  -3.837  -4.560 -15.280
  506   1HB   GLN  49          2HB       GLN  49  -3.147  -6.615 -17.409
  507   2HB   GLN  49          3HB       GLN  49  -4.465  -5.467 -17.606
  508   1HG   GLN  49          2HG       GLN  49  -2.898  -3.587 -17.286
  509   2HG   GLN  49          3HG       GLN  49  -1.573  -4.716 -17.061
  510   1HE2  GLN  49          2HE2      GLN  49  -2.754  -5.458 -20.802
  511   2HE2  GLN  49          1HE2      GLN  49  -3.572  -6.060 -19.442
  512    QB   GLN  49           QB       GLN  49  -3.806  -6.041 -17.507
  513    QG   GLN  49           QG       GLN  49  -2.235  -4.151 -17.174
  514    QE2  GLN  49           QE2      GLN  49  -3.163  -5.759 -20.122
  515    H    GLN  50           HN       GLN  50  -3.960  -8.063 -15.636
  516    HA   GLN  50           HA       GLN  50  -6.684  -8.586 -15.732
  517   1HB   GLN  50          2HB       GLN  50  -4.588 -10.019 -14.048
  518   2HB   GLN  50          3HB       GLN  50  -6.134 -10.703 -14.487
  519   1HG   GLN  50          2HG       GLN  50  -4.081  -9.771 -16.519
  520   2HG   GLN  50          3HG       GLN  50  -4.275 -11.441 -16.009
  521   1HE2  GLN  50          2HE2      GLN  50  -7.334 -11.893 -17.789
  522   2HE2  GLN  50          1HE2      GLN  50  -6.346 -12.500 -16.548
  523    QB   GLN  50           QB       GLN  50  -5.361 -10.361 -14.268
  524    QG   GLN  50           QG       GLN  50  -4.178 -10.606 -16.264
  525    QE2  GLN  50           QE2      GLN  50  -6.840 -12.196 -17.168
  526    H    LYS  51           HN       LYS  51  -4.829  -7.647 -12.928
  527    HA   LYS  51           HA       LYS  51  -7.189  -7.840 -11.152
  528   1HB   LYS  51          2HB       LYS  51  -4.347  -8.085 -10.862
  529   2HB   LYS  51          3HB       LYS  51  -4.857  -6.784  -9.820
  530   1HG   LYS  51          2HG       LYS  51  -6.793  -8.758  -9.369
  531   2HG   LYS  51          3HG       LYS  51  -5.323  -9.688  -9.605
  532   1HD   LYS  51          2HD       LYS  51  -5.050  -9.271  -7.362
  533   2HD   LYS  51          3HD       LYS  51  -4.332  -7.779  -7.959
  534   1HE   LYS  51          2HE       LYS  51  -7.185  -8.202  -6.994
  535   2HE   LYS  51          3HE       LYS  51  -5.951  -7.184  -6.258
  536   1HZ   LYS  51          1HZ       LYS  51  -6.216  -6.331  -8.891
  537   2HZ   LYS  51          2HZ       LYS  51  -7.783  -6.535  -8.305
  538   3HZ   LYS  51          3HZ       LYS  51  -6.696  -5.527  -7.487
  539    QB   LYS  51           QB       LYS  51  -4.602  -7.435 -10.341
  540    QG   LYS  51           QG       LYS  51  -6.058  -9.223  -9.487
  541    QD   LYS  51           QD       LYS  51  -4.691  -8.525  -7.661
  542    QE   LYS  51           QE       LYS  51  -6.568  -7.693  -6.626
  543    QZ   LYS  51           QZ       LYS  51  -6.899  -6.131  -8.228
  544    H    ALA  52           HN       ALA  52  -5.680  -5.371 -12.966
  545    HA   ALA  52           HA       ALA  52  -6.962  -3.314 -11.173
  546   1HB   ALA  52          1HB       ALA  52  -4.489  -3.076 -11.226
  547   2HB   ALA  52          2HB       ALA  52  -4.539  -2.962 -12.976
  548   3HB   ALA  52          3HB       ALA  52  -5.272  -1.700 -11.993
  549    QB   ALA  52           QB       ALA  52  -4.767  -2.579 -12.065
  550    H    GLY  53           HN       GLY  53  -6.116  -4.017 -14.514
  551   1HA   GLY  53          1HA       GLY  53  -7.481  -3.577 -16.433
  552   2HA   GLY  53          2HA       GLY  53  -8.525  -2.563 -15.427
  553    QA   GLY  53           QA       GLY  53  -8.003  -3.070 -15.930
  554    H    LYS  54           HN       LYS  54  -5.022  -2.603 -15.969
  555    HA   LYS  54           HA       LYS  54  -5.167   0.282 -16.795
  556   1HB   LYS  54          2HB       LYS  54  -3.243  -1.125 -14.938
  557   2HB   LYS  54          3HB       LYS  54  -2.798   0.377 -15.725
  558   1HG   LYS  54          2HG       LYS  54  -5.475   0.524 -14.519
  559   2HG   LYS  54          3HG       LYS  54  -4.243   0.120 -13.337
  560   1HD   LYS  54          2HD       LYS  54  -4.418   2.546 -13.445
  561   2HD   LYS  54          3HD       LYS  54  -2.877   2.074 -14.146
  562   1HE   LYS  54          2HE       LYS  54  -3.981   2.167 -16.427
  563   2HE   LYS  54          3HE       LYS  54  -5.417   2.823 -15.648
  564   1HZ   LYS  54          3HZ       LYS  54  -3.221   4.299 -14.756
  565   2HZ   LYS  54          1HZ       LYS  54  -3.052   4.166 -16.435
  566   3HZ   LYS  54          2HZ       LYS  54  -4.482   4.826 -15.764
  567    QB   LYS  54           QB       LYS  54  -3.021  -0.374 -15.332
  568    QG   LYS  54           QG       LYS  54  -4.859   0.322 -13.928
  569    QD   LYS  54           QD       LYS  54  -3.648   2.310 -13.796
  570    QE   LYS  54           QE       LYS  54  -4.699   2.495 -16.037
  571    QZ   LYS  54           QZ       LYS  54  -3.585   4.430 -15.652
  572    HA   PRO  55           HA       PRO  55  -2.959  -2.103 -20.044
  573   1HB   PRO  55          2HB       PRO  55  -4.587  -0.724 -22.037
  574   2HB   PRO  55          3HB       PRO  55  -4.544  -2.449 -21.658
  575   1HG   PRO  55          2HG       PRO  55  -6.700  -0.775 -21.088
  576   2HG   PRO  55          3HG       PRO  55  -6.386  -2.305 -20.267
  577   1HD   PRO  55          2HD       PRO  55  -5.864   0.491 -19.309
  578   2HD   PRO  55          3HD       PRO  55  -6.289  -0.965 -18.386
  579    QB   PRO  55           QB       PRO  55  -4.566  -1.587 -21.848
  580    QG   PRO  55           QG       PRO  55  -6.543  -1.540 -20.678
  581    QD   PRO  55           QD       PRO  55  -6.077  -0.237 -18.848
  582    H    VAL  56           HN       VAL  56  -2.225   0.393 -18.784
  583    HA   VAL  56           HA       VAL  56  -0.809   1.666 -21.090
  584    HB   VAL  56           HB       VAL  56  -1.091   3.834 -19.483
  585   1HG1  VAL  56          1HG1      VAL  56  -3.154   2.805 -21.481
  586   2HG1  VAL  56          2HG1      VAL  56  -2.953   4.487 -20.992
  587   3HG1  VAL  56          3HG1      VAL  56  -1.678   3.673 -21.891
  588   1HG2  VAL  56          2HG2      VAL  56  -2.529   2.525 -17.867
  589   2HG2  VAL  56          3HG2      VAL  56  -3.358   3.912 -18.566
  590   3HG2  VAL  56          1HG2      VAL  56  -3.697   2.288 -19.156
  591    QG1  VAL  56           QG1      VAL  56  -2.595   3.655 -21.455
  592    QG2  VAL  56           QG2      VAL  56  -3.194   2.908 -18.530
  593    QQG  VAL  56           QQG      VAL  56  -2.895   3.282 -19.992
  594    H    GLU  57           HN       GLU  57  -0.709   2.506 -17.640
  595    HA   GLU  57           HA       GLU  57   2.175   1.796 -17.675
  596   1HB   GLU  57          2HB       GLU  57   2.477   3.262 -15.855
  597   2HB   GLU  57          3HB       GLU  57   1.246   4.080 -16.789
  598   1HG   GLU  57          2HG       GLU  57   0.372   2.208 -14.582
  599   2HG   GLU  57          3HG       GLU  57   0.977   3.794 -14.171
  600    QB   GLU  57           QB       GLU  57   1.861   3.671 -16.322
  601    QG   GLU  57           QG       GLU  57   0.674   3.001 -14.376
  602    H    THR  58           HN       THR  58   2.453   1.205 -14.900
  603    HA   THR  58           HA       THR  58   0.597  -0.669 -13.905
  604    HB   THR  58           HB       THR  58   1.008  -1.943 -16.010
  605    HG1  THR  58          1HG       THR  58   1.629  -2.836 -13.453
  606   1HG2  THR  58          2HG2      THR  58   3.437  -1.268 -16.315
  607   2HG2  THR  58          3HG2      THR  58   3.835  -2.251 -14.912
  608   3HG2  THR  58          1HG2      THR  58   3.203  -3.011 -16.359
  609    QG2  THR  58           QG2      THR  58   3.492  -2.177 -15.862
  610    H    VAL  59           HN       VAL  59   3.956   0.343 -14.067
  611    HA   VAL  59           HA       VAL  59   4.348  -0.874 -11.380
  612    HB   VAL  59           HB       VAL  59   6.290  -0.420 -13.642
  613   1HG1  VAL  59          2HG1      VAL  59   7.024  -0.904 -10.726
  614   2HG1  VAL  59          3HG1      VAL  59   8.148  -0.952 -12.078
  615   3HG1  VAL  59          1HG1      VAL  59   7.372   0.562 -11.635
  616   1HG2  VAL  59          3HG2      VAL  59   5.141  -2.618 -13.420
  617   2HG2  VAL  59          1HG2      VAL  59   6.867  -2.775 -13.144
  618   3HG2  VAL  59          2HG2      VAL  59   5.751  -2.770 -11.781
  619    QG1  VAL  59           QG1      VAL  59   7.515  -0.431 -11.480
  620    QG2  VAL  59           QG2      VAL  59   5.920  -2.721 -12.782
  621    QQG  VAL  59           QQG      VAL  59   6.717  -1.576 -12.131
  622    HA   PRO  60           HA       PRO  60   4.572  -0.704  -9.609
  623   1HB   PRO  60          2HB       PRO  60   4.823   0.355  -7.123
  624   2HB   PRO  60          3HB       PRO  60   6.204  -0.236  -8.050
  625   1HG   PRO  60          2HG       PRO  60   5.379   2.582  -7.491
  626   2HG   PRO  60          3HG       PRO  60   6.992   1.923  -7.785
  627   1HD   PRO  60          2HD       PRO  60   5.349   3.294  -9.681
  628   2HD   PRO  60          3HD       PRO  60   6.857   2.423 -10.031
  629    QB   PRO  60           QB       PRO  60   5.513   0.060  -7.586
  630    QG   PRO  60           QG       PRO  60   6.185   2.252  -7.638
  631    QD   PRO  60           QD       PRO  60   6.103   2.859  -9.856
  632    H    GLN  61           HN       GLN  61   2.734  -1.072  -8.059
  633    HA   GLN  61           HA       GLN  61   0.782   1.178  -7.950
  634   1HB   GLN  61          2HB       GLN  61   0.197  -1.557  -9.145
  635   2HB   GLN  61          3HB       GLN  61  -1.057  -0.415  -8.678
  636   1HG   GLN  61          2HG       GLN  61   0.070   1.295 -10.188
  637   2HG   GLN  61          3HG       GLN  61   1.093  -0.011 -10.780
  638   1HE2  GLN  61          2HE2      GLN  61  -2.379   0.436 -12.560
  639   2HE2  GLN  61          1HE2      GLN  61  -1.528   1.661 -11.735
  640    QB   GLN  61           QB       GLN  61  -0.430  -0.986  -8.911
  641    QG   GLN  61           QG       GLN  61   0.581   0.642 -10.484
  642    QE2  GLN  61           QE2      GLN  61  -1.953   1.049 -12.147
  643    H    ILE  62           HN       ILE  62  -0.983   0.826  -6.550
  644    HA   ILE  62           HA       ILE  62  -0.448  -1.132  -4.342
  645    HB   ILE  62           HB       ILE  62  -1.651   1.663  -4.140
  646   1HG1  ILE  62          2HG1      ILE  62   0.451   1.829  -2.536
  647   2HG1  ILE  62          3HG1      ILE  62   1.061   0.516  -3.541
  648   1HG2  ILE  62          2HG2      ILE  62  -1.126  -0.458  -2.027
  649   2HG2  ILE  62          3HG2      ILE  62  -1.566   1.209  -1.672
  650   3HG2  ILE  62          1HG2      ILE  62  -2.694   0.161  -2.522
  651   1HD1  ILE  62          1HD1      ILE  62   0.042   3.172  -4.576
  652   2HD1  ILE  62          2HD1      ILE  62   1.739   2.718  -4.434
  653   3HD1  ILE  62          3HD1      ILE  62   0.693   1.874  -5.565
  654    QG1  ILE  62           QG1      ILE  62   0.756   1.172  -3.039
  655    QG2  ILE  62           QG2      ILE  62  -1.795   0.304  -2.074
  656    QD1  ILE  62           QD1      ILE  62   0.825   2.588  -4.858
  657    H    PHE  63           HN       PHE  63  -2.133  -2.074  -3.482
  658    HA   PHE  63           HA       PHE  63  -4.823  -1.782  -4.790
  659   1HB   PHE  63          2HB       PHE  63  -3.172  -4.240  -4.200
  660   2HB   PHE  63          3HB       PHE  63  -4.917  -4.358  -4.030
  661    HD1  PHE  63          1HD       PHE  63  -6.299  -3.372  -6.030
  662    HD2  PHE  63          2HD       PHE  63  -2.244  -4.614  -6.364
  663    HE1  PHE  63          1HE       PHE  63  -6.586  -3.673  -8.449
  664    HE2  PHE  63          2HE       PHE  63  -2.529  -4.914  -8.777
  665    HZ   PHE  63           HZ       PHE  63  -4.706  -4.458  -9.823
  666    QB   PHE  63           QB       PHE  63  -4.044  -4.299  -4.115
  667    QR   PHE  63           QR       PHE  63  -4.414  -4.143  -7.405
  668    H    VAL  64           HN       VAL  64  -6.405  -1.352  -3.261
  669    HA   VAL  64           HA       VAL  64  -5.568  -1.850  -0.412
  670    HB   VAL  64           HB       VAL  64  -7.320   0.306  -1.613
  671   1HG1  VAL  64          1HG1      VAL  64  -6.995  -0.422   1.324
  672   2HG1  VAL  64          2HG1      VAL  64  -7.849   0.982   0.702
  673   3HG1  VAL  64          3HG1      VAL  64  -8.472  -0.624   0.387
  674   1HG2  VAL  64          3HG2      VAL  64  -4.813   0.632  -1.432
  675   2HG2  VAL  64          1HG2      VAL  64  -5.716   1.775  -0.439
  676   3HG2  VAL  64          2HG2      VAL  64  -4.943   0.375   0.303
  677    QG1  VAL  64           QG1      VAL  64  -7.772  -0.021   0.804
  678    QG2  VAL  64           QG2      VAL  64  -5.157   0.927  -0.523
  679    QQG  VAL  64           QQG      VAL  64  -6.465   0.453   0.141
  680    H    ASP  65           HN       ASP  65  -6.859  -3.048   0.832
  681    HA   ASP  65           HA       ASP  65  -8.302  -4.807   1.285
  682   1HB   ASP  65          2HB       ASP  65 -10.037  -2.659   0.052
  683   2HB   ASP  65          3HB       ASP  65 -10.751  -4.192   0.549
  684    QB   ASP  65           QB       ASP  65 -10.394  -3.426   0.301
  685    H    GLN  66           HN       GLN  66  -9.995  -3.981  -1.620
  686    HA   GLN  66           HA       GLN  66  -8.762  -6.244  -3.078
  687   1HB   GLN  66          2HB       GLN  66 -11.649  -6.033  -2.253
  688   2HB   GLN  66          3HB       GLN  66 -11.268  -6.798  -3.790
  689   1HG   GLN  66          2HG       GLN  66  -9.795  -7.623  -1.281
  690   2HG   GLN  66          3HG       GLN  66 -11.381  -8.289  -1.638
  691   1HE2  GLN  66          2HE2      GLN  66  -9.941 -10.658  -3.791
  692   2HE2  GLN  66          1HE2      GLN  66 -11.123 -10.292  -2.630
  693    QB   GLN  66           QB       GLN  66 -11.458  -6.415  -3.021
  694    QG   GLN  66           QG       GLN  66 -10.588  -7.956  -1.460
  695    QE2  GLN  66           QE2      GLN  66 -10.532 -10.475  -3.211
  696    H    GLN  67           HN       GLN  67  -9.474  -3.084  -3.173
  697    HA   GLN  67           HA       GLN  67 -10.344  -3.083  -6.006
  698   1HB   GLN  67          2HB       GLN  67 -11.876  -1.907  -4.653
  699   2HB   GLN  67          3HB       GLN  67 -10.614  -1.254  -3.624
  700   1HG   GLN  67          2HG       GLN  67 -11.527   0.467  -5.021
  701   2HG   GLN  67          3HG       GLN  67  -9.861   0.189  -5.472
  702   1HE2  GLN  67          2HE2      GLN  67 -10.896  -0.143  -8.826
  703   2HE2  GLN  67          1HE2      GLN  67  -9.834   0.572  -7.707
  704    QB   GLN  67           QB       GLN  67 -11.245  -1.581  -4.139
  705    QG   GLN  67           QG       GLN  67 -10.694   0.328  -5.246
  706    QE2  GLN  67           QE2      GLN  67 -10.365   0.215  -8.267
  707    H    HIS  68           HN       HIS  68  -9.254  -1.694  -7.466
  708    HA   HIS  68           HA       HIS  68  -6.372  -1.448  -6.967
  709   1HB   HIS  68          2HB       HIS  68  -7.392  -1.993  -9.233
  710   2HB   HIS  68          3HB       HIS  68  -8.025  -0.373  -9.273
  711    HD1  HIS  68           HD1      HIS  68  -6.574   1.236 -10.369
  712    HD2  HIS  68           HD2      HIS  68  -4.287  -1.860  -8.921
  713    HE1  HIS  68           HE1      HIS  68  -4.231   1.617 -11.210
  714    QB   HIS  68           QB       HIS  68  -7.709  -1.183  -9.253
  715    H    ILE  69           HN       ILE  69  -5.304   0.481  -6.524
  716    HA   ILE  69           HA       ILE  69  -7.143   2.805  -6.044
  717    HB   ILE  69           HB       ILE  69  -4.548   2.126  -4.627
  718   1HG1  ILE  69          2HG1      ILE  69  -6.312   0.440  -4.192
  719   2HG1  ILE  69          3HG1      ILE  69  -5.997   1.413  -2.773
  720   1HG2  ILE  69          2HG2      ILE  69  -6.724   4.170  -4.027
  721   2HG2  ILE  69          3HG2      ILE  69  -5.354   3.814  -2.981
  722   3HG2  ILE  69          1HG2      ILE  69  -5.090   4.522  -4.573
  723   1HD1  ILE  69          2HD1      ILE  69  -8.304   1.895  -4.687
  724   2HD1  ILE  69          3HD1      ILE  69  -8.441   1.068  -3.149
  725   3HD1  ILE  69          1HD1      ILE  69  -8.001   2.768  -3.189
  726    QG1  ILE  69           QG1      ILE  69  -6.155   0.927  -3.483
  727    QG2  ILE  69           QG2      ILE  69  -5.722   4.169  -3.860
  728    QD1  ILE  69           QD1      ILE  69  -8.249   1.910  -3.675
  729    H    GLY  70           HN       GLY  70  -3.867   1.897  -6.963
  730   1HA   GLY  70          1HA       GLY  70  -3.341   3.103  -9.236
  731   2HA   GLY  70          2HA       GLY  70  -3.569   4.561  -8.277
  732    QA   GLY  70           QA       GLY  70  -3.455   3.832  -8.756
  733    H    GLY  71           HN       GLY  71  -1.571   5.383  -8.083
  734   1HA   GLY  71          1HA       GLY  71   0.673   3.552  -7.323
  735   2HA   GLY  71          2HA       GLY  71   0.878   5.073  -8.180
  736    QA   GLY  71           QA       GLY  71   0.776   4.312  -7.752
  737    OH   TYR  72           OH       TYR  72   4.563  10.003   0.010
  738    H    TYR  72           HN       TYR  72   2.458   5.371  -6.402
  739    HA   TYR  72           HA       TYR  72   1.788   5.617  -3.679
  740   1HB   TYR  72          2HB       TYR  72   4.101   5.653  -4.321
  741   2HB   TYR  72          3HB       TYR  72   3.866   7.074  -5.337
  742    HD1  TYR  72           HD2      TYR  72   2.910   6.204  -1.796
  743    HD2  TYR  72           HD1      TYR  72   4.869   8.967  -4.373
  744    HE1  TYR  72           HE2      TYR  72   3.308   7.704   0.102
  745    HE2  TYR  72           HE1      TYR  72   5.308  10.430  -2.470
  746    HH   TYR  72           HH       TYR  72   4.129  10.846  -0.183
  747    QB   TYR  72           QB       TYR  72   3.984   6.364  -4.829
  748    QR   TYR  72           QR       TYR  72   4.099   8.326  -2.134
  749    H    THR  73           HN       THR  73   2.213   8.435  -5.842
  750    HA   THR  73           HA       THR  73   1.306  10.450  -4.262
  751    HB   THR  73           HB       THR  73   0.085  10.608  -6.943
  752    HG1  THR  73          1HG       THR  73   1.792   9.830  -7.994
  753   1HG2  THR  73          2HG2      THR  73   0.913  12.591  -5.570
  754   2HG2  THR  73          3HG2      THR  73   2.544  11.952  -5.733
  755   3HG2  THR  73          1HG2      THR  73   1.668  12.494  -7.159
  756    QG2  THR  73           QG2      THR  73   1.708  12.345  -6.154
  757    H    ASP  74           HN       ASP  74  -0.997   8.388  -6.100
  758    HA   ASP  74           HA       ASP  74  -3.264   9.741  -4.862
  759   1HB   ASP  74          2HB       ASP  74  -4.570   7.785  -5.876
  760   2HB   ASP  74          3HB       ASP  74  -3.682   8.797  -7.013
  761    QB   ASP  74           QB       ASP  74  -4.126   8.291  -6.445
  762    H    PHE  75           HN       PHE  75  -1.925   6.414  -4.461
  763    HA   PHE  75           HA       PHE  75  -3.642   5.592  -2.387
  764   1HB   PHE  75          2HB       PHE  75  -1.990   4.076  -3.330
  765   2HB   PHE  75          3HB       PHE  75  -0.669   5.078  -2.752
  766    HD1  PHE  75          2HD       PHE  75  -3.744   3.436  -1.293
  767    HD2  PHE  75          1HD       PHE  75   0.400   4.307  -0.835
  768    HE1  PHE  75          2HE       PHE  75  -3.711   2.197   0.831
  769    HE2  PHE  75          1HE       PHE  75   0.425   3.071   1.280
  770    HZ   PHE  75           HZ       PHE  75  -1.631   2.049   2.138
  771    QB   PHE  75           QB       PHE  75  -1.329   4.577  -3.041
  772    QR   PHE  75           QR       PHE  75  -1.657   3.253  -0.004
  773    H    ALA  76           HN       ALA  76  -0.842   7.623  -2.277
  774    HA   ALA  76           HA       ALA  76  -0.498   8.033   0.489
  775   1HB   ALA  76          1HB       ALA  76   1.111   8.729  -1.286
  776   2HB   ALA  76          2HB       ALA  76  -0.016   9.956  -1.826
  777   3HB   ALA  76          3HB       ALA  76   0.720  10.085  -0.237
  778    QB   ALA  76           QB       ALA  76   0.605   9.590  -1.117
  779    H    ALA  77           HN       ALA  77  -2.015  10.351  -1.764
  780    HA   ALA  77           HA       ALA  77  -3.234  11.921   0.292
  781   1HB   ALA  77          1HB       ALA  77  -4.200  11.420  -2.570
  782   2HB   ALA  77          2HB       ALA  77  -4.765  12.722  -1.527
  783   3HB   ALA  77          3HB       ALA  77  -3.092  12.694  -2.072
  784    QB   ALA  77           QB       ALA  77  -4.019  12.279  -2.056
  785    CH2  TRP  78           CH2      TRP  78  -6.950   3.134   1.531
  786    H    TRP  78           HN       TRP  78  -4.607   9.388  -1.754
  787    HA   TRP  78           HA       TRP  78  -7.165   9.105  -0.771
  788   1HB   TRP  78          2HB       TRP  78  -6.367   7.697  -2.532
  789   2HB   TRP  78          3HB       TRP  78  -5.123   7.026  -1.525
  790    HD1  TRP  78           HD1      TRP  78  -8.844   6.628  -2.321
  791    HE1  TRP  78           HE1      TRP  78  -9.766   4.651  -1.105
  792    HE3  TRP  78           HE3      TRP  78  -4.807   5.481   0.354
  793    HZ2  TRP  78           HZ2      TRP  78  -8.978   2.882   0.915
  794    HZ3  TRP  78           HZ3      TRP  78  -4.924   3.620   1.983
  795    HH2  TRP  78           HH2      TRP  78  -6.979   2.313   2.228
  796    QB   TRP  78           QB       TRP  78  -5.745   7.362  -2.028
  797    H    VAL  79           HN       VAL  79  -4.264   7.602   0.581
  798    HA   VAL  79           HA       VAL  79  -5.344   6.315   2.805
  799    HB   VAL  79           HB       VAL  79  -2.681   7.553   2.180
  800   1HG1  VAL  79          3HG1      VAL  79  -3.419   6.661   4.989
  801   2HG1  VAL  79          1HG1      VAL  79  -1.782   6.976   4.432
  802   3HG1  VAL  79          2HG1      VAL  79  -2.946   8.287   4.518
  803   1HG2  VAL  79          2HG2      VAL  79  -3.561   4.833   3.200
  804   2HG2  VAL  79          3HG2      VAL  79  -3.169   5.238   1.536
  805   3HG2  VAL  79          1HG2      VAL  79  -1.912   5.258   2.760
  806    QG1  VAL  79           QG1      VAL  79  -2.716   7.308   4.646
  807    QG2  VAL  79           QG2      VAL  79  -2.881   5.110   2.498
  808    QQG  VAL  79           QQG      VAL  79  -2.798   6.209   3.572
  809    H    LYS  80           HN       LYS  80  -3.978   9.611   2.816
  810    HA   LYS  80           HA       LYS  80  -4.838  10.325   5.398
  811   1HB   LYS  80          2HB       LYS  80  -3.328  11.632   3.757
  812   2HB   LYS  80          3HB       LYS  80  -4.815  12.253   3.060
  813   1HG   LYS  80          2HG       LYS  80  -4.622  12.383   6.041
  814   2HG   LYS  80          3HG       LYS  80  -3.550  13.449   5.145
  815   1HD   LYS  80          2HD       LYS  80  -5.334  14.610   4.127
  816   2HD   LYS  80          3HD       LYS  80  -6.480  13.317   4.404
  817   1HE   LYS  80          2HE       LYS  80  -5.245  14.732   6.765
  818   2HE   LYS  80          3HE       LYS  80  -6.575  15.487   5.893
  819   1HZ   LYS  80          2HZ       LYS  80  -7.226  12.791   6.391
  820   2HZ   LYS  80          3HZ       LYS  80  -6.750  13.531   7.864
  821   3HZ   LYS  80          1HZ       LYS  80  -7.987  14.201   6.922
  822    QB   LYS  80           QB       LYS  80  -4.071  11.943   3.409
  823    QG   LYS  80           QG       LYS  80  -4.086  12.916   5.593
  824    QD   LYS  80           QD       LYS  80  -5.907  13.964   4.266
  825    QE   LYS  80           QE       LYS  80  -5.910  15.109   6.329
  826    QZ   LYS  80           QZ       LYS  80  -7.321  13.508   7.059
  827    H    GLU  81           HN       GLU  81  -6.514  10.768   2.360
  828    HA   GLU  81           HA       GLU  81  -8.767  12.196   3.262
  829   1HB   GLU  81          2HB       GLU  81  -8.638  10.107   1.050
  830   2HB   GLU  81          3HB       GLU  81  -9.893  11.322   1.223
  831   1HG   GLU  81          2HG       GLU  81  -8.379  13.107   0.727
  832   2HG   GLU  81          3HG       GLU  81  -6.972  12.078   0.931
  833    QB   GLU  81           QB       GLU  81  -9.266  10.715   1.137
  834    QG   GLU  81           QG       GLU  81  -7.675  12.593   0.829
  835    H    ASN  82           HN       ASN  82  -8.568   8.690   2.747
  836    HA   ASN  82           HA       ASN  82 -11.201   8.435   4.041
  837   1HB   ASN  82          2HB       ASN  82  -9.408   6.322   2.811
  838   2HB   ASN  82          3HB       ASN  82 -11.095   6.113   3.276
  839   1HD2  ASN  82          2HD2      ASN  82 -10.181   8.152  -0.132
  840   2HD2  ASN  82          1HD2      ASN  82  -8.960   7.600   0.912
  841    QB   ASN  82           QB       ASN  82 -10.251   6.218   3.044
  842    QD2  ASN  82           QD2      ASN  82  -9.571   7.876   0.390
  843    H    LEU  83           HN       LEU  83  -7.870   7.750   4.973
  844    HA   LEU  83           HA       LEU  83  -8.866   6.138   7.241
  845   1HB   LEU  83          2HB       LEU  83  -6.048   7.046   6.560
  846   2HB   LEU  83          3HB       LEU  83  -6.471   5.919   7.842
  847    HG   LEU  83           HG       LEU  83  -6.894   5.510   4.856
  848   1HD1  LEU  83          1HD1      LEU  83  -4.584   5.198   5.700
  849   2HD1  LEU  83          2HD1      LEU  83  -5.179   4.064   6.905
  850   3HD1  LEU  83          3HD1      LEU  83  -5.288   3.671   5.194
  851   1HD2  LEU  83          1HD2      LEU  83  -7.657   3.737   7.216
  852   2HD2  LEU  83          2HD2      LEU  83  -8.775   4.511   6.094
  853   3HD2  LEU  83          3HD2      LEU  83  -7.702   3.244   5.526
  854    QB   LEU  83           QB       LEU  83  -6.260   6.483   7.201
  855    QD1  LEU  83           QD1      LEU  83  -5.017   4.311   5.933
  856    QD2  LEU  83           QD2      LEU  83  -8.045   3.831   6.279
  857    QQD  LEU  83           QQD      LEU  83  -6.531   4.071   6.106
  858    H    ASP  84           HN       ASP  84  -8.075   9.448   6.638
  859    HA   ASP  84           HA       ASP  84  -8.117   9.869   9.618
  860   1HB   ASP  84          2HB       ASP  84  -5.904  10.269   8.339
  861   2HB   ASP  84          3HB       ASP  84  -6.694  11.643   7.629
  862    QB   ASP  84           QB       ASP  84  -6.299  10.956   7.984
  863    H    ALA  85           HN       ALA  85  -8.790  11.355   6.517
  864    HA   ALA  85           HA       ALA  85 -10.928  12.275   5.859
  865   1HB   ALA  85          2HB       ALA  85 -12.021  11.805   8.073
  866   2HB   ALA  85          3HB       ALA  85 -11.208  13.219   8.736
  867   3HB   ALA  85          1HB       ALA  85 -12.394  13.410   7.454
  868    QB   ALA  85           QB       ALA  85 -11.874  12.811   8.088
   
  Start of MODEL          13
 Raw file had 868 H/Q atoms
  Start of MODEL   13
    1    H    MET   1           HN       MET   1  -7.590  -4.113   8.131
    2    HA   MET   1           HA       MET   1  -9.208  -4.438   5.873
    3   1HB   MET   1          2HB       MET   1  -7.724  -1.796   5.969
    4   2HB   MET   1          3HB       MET   1  -8.175  -2.576   4.459
    5   1HG   MET   1          2HG       MET   1 -10.520  -2.601   5.142
    6   2HG   MET   1          3HG       MET   1 -10.121  -1.815   6.648
    7   1HE   MET   1          2HE       MET   1  -8.592   0.182   6.607
    8   2HE   MET   1          3HE       MET   1  -9.029   1.634   5.713
    9   3HE   MET   1          1HE       MET   1 -10.165   0.942   6.874
   10    QB   MET   1           QB       MET   1  -7.949  -2.186   5.214
   11    QG   MET   1           QG       MET   1 -10.321  -2.208   5.895
   12    QE   MET   1           QE       MET   1  -9.262   0.919   6.398
   13    H    GLN   2           HN       GLN   2  -7.717  -4.589   3.861
   14    HA   GLN   2           HA       GLN   2  -5.044  -5.614   4.687
   15   1HB   GLN   2          2HB       GLN   2  -6.498  -6.851   2.400
   16   2HB   GLN   2          3HB       GLN   2  -5.398  -7.584   3.551
   17   1HG   GLN   2          2HG       GLN   2  -7.140  -7.569   5.289
   18   2HG   GLN   2          3HG       GLN   2  -8.247  -6.730   4.197
   19   1HE2  GLN   2          2HE2      GLN   2  -9.186  -9.628   2.484
   20   2HE2  GLN   2          1HE2      GLN   2  -9.366  -7.946   2.651
   21    QB   GLN   2           QB       GLN   2  -5.948  -7.217   2.975
   22    QG   GLN   2           QG       GLN   2  -7.694  -7.150   4.743
   23    QE2  GLN   2           QE2      GLN   2  -9.276  -8.787   2.567
   24    H    THR   3           HN       THR   3  -3.469  -4.486   3.516
   25    HA   THR   3           HA       THR   3  -4.315  -3.387   0.841
   26    HB   THR   3           HB       THR   3  -2.268  -2.168   2.761
   27    HG1  THR   3          1HG       THR   3  -4.596  -2.159   3.264
   28   1HG2  THR   3          1HG2      THR   3  -3.588  -1.108   0.216
   29   2HG2  THR   3          2HG2      THR   3  -2.456  -0.218   1.231
   30   3HG2  THR   3          3HG2      THR   3  -1.905  -1.615   0.313
   31    QG2  THR   3           QG2      THR   3  -2.650  -0.980   0.587
   32    H    VAL   4           HN       VAL   4  -3.001  -3.786  -0.910
   33    HA   VAL   4           HA       VAL   4  -0.471  -5.342  -0.354
   34    HB   VAL   4           HB       VAL   4  -2.207  -5.605  -2.826
   35   1HG1  VAL   4          2HG1      VAL   4   0.039  -7.306  -1.654
   36   2HG1  VAL   4          3HG1      VAL   4  -0.844  -7.669  -3.130
   37   3HG1  VAL   4          1HG1      VAL   4   0.188  -6.246  -3.056
   38   1HG2  VAL   4          1HG2      VAL   4  -2.119  -7.375  -0.350
   39   2HG2  VAL   4          2HG2      VAL   4  -3.484  -6.377  -0.840
   40   3HG2  VAL   4          3HG2      VAL   4  -2.993  -7.749  -1.831
   41    QG1  VAL   4           QG1      VAL   4  -0.206  -7.074  -2.613
   42    QG2  VAL   4           QG2      VAL   4  -2.865  -7.167  -1.007
   43    QQG  VAL   4           QQG      VAL   4  -1.536  -7.120  -1.810
   44    H    ILE   5           HN       ILE   5   1.274  -4.401  -0.960
   45    HA   ILE   5           HA       ILE   5   1.192  -2.161  -2.940
   46    HB   ILE   5           HB       ILE   5   3.186  -2.932  -0.762
   47   1HG1  ILE   5          2HG1      ILE   5   2.651  -0.709   0.204
   48   2HG1  ILE   5          3HG1      ILE   5   1.470  -0.442  -1.069
   49   1HG2  ILE   5          3HG2      ILE   5   3.348  -0.646  -2.770
   50   2HG2  ILE   5          1HG2      ILE   5   4.435  -0.893  -1.408
   51   3HG2  ILE   5          2HG2      ILE   5   4.404  -2.058  -2.720
   52   1HD1  ILE   5          3HD1      ILE   5   1.334  -2.745   0.899
   53   2HD1  ILE   5          1HD1      ILE   5   0.482  -1.222   1.107
   54   3HD1  ILE   5          2HD1      ILE   5   0.089  -2.266  -0.244
   55    QG1  ILE   5           QG1      ILE   5   2.060  -0.575  -0.433
   56    QG2  ILE   5           QG2      ILE   5   4.062  -1.199  -2.299
   57    QD1  ILE   5           QD1      ILE   5   0.635  -2.077   0.588
   58    H    PHE   6           HN       PHE   6   1.880  -2.735  -4.963
   59    HA   PHE   6           HA       PHE   6   3.610  -5.139  -5.273
   60   1HB   PHE   6          2HB       PHE   6   2.140  -3.502  -7.380
   61   2HB   PHE   6          3HB       PHE   6   2.968  -5.027  -7.656
   62    HD1  PHE   6          2HD       PHE   6   0.216  -3.541  -5.569
   63    HD2  PHE   6          1HD       PHE   6   1.717  -7.027  -7.512
   64    HE1  PHE   6          2HE       PHE   6  -1.817  -4.769  -4.953
   65    HE2  PHE   6          1HE       PHE   6  -0.342  -8.227  -6.953
   66    HZ   PHE   6           HZ       PHE   6  -2.126  -7.092  -5.686
   67    QB   PHE   6           QB       PHE   6   2.554  -4.264  -7.518
   68    QR   PHE   6           QR       PHE   6  -0.056  -5.891  -6.247
   69    H    GLY   7           HN       GLY   7   5.658  -4.272  -4.755
   70   1HA   GLY   7          1HA       GLY   7   6.558  -1.965  -6.472
   71   2HA   GLY   7          2HA       GLY   7   7.164  -2.244  -4.845
   72    QA   GLY   7           QA       GLY   7   6.861  -2.104  -5.658
   73    NH1  ARG   8           NH2      ARG   8  13.189  -1.364  -9.720
   74    NH2  ARG   8           NH1      ARG   8  12.478  -0.581 -11.760
   75    H    ARG   8           HN       ARG   8   9.236  -2.091  -6.211
   76    HA   ARG   8           HA       ARG   8   9.982  -4.868  -7.098
   77   1HB   ARG   8          2HB       ARG   8  11.221  -2.289  -8.153
   78   2HB   ARG   8          3HB       ARG   8  11.512  -3.911  -8.741
   79   1HG   ARG   8          2HG       ARG   8   9.443  -4.028  -9.834
   80   2HG   ARG   8          3HG       ARG   8   8.747  -2.722  -8.883
   81   1HD   ARG   8          2HD       ARG   8   9.471  -2.140 -11.293
   82   2HD   ARG   8          3HD       ARG   8  10.054  -1.069 -10.027
   83    HE   ARG   8           HE       ARG   8  11.768  -3.273 -11.148
   84   1HH1  ARG   8          2HH2      ARG   8  13.090  -2.047  -8.999
   85   2HH1  ARG   8          1HH2      ARG   8  13.869  -0.626  -9.605
   86   1HH2  ARG   8          2HH1      ARG   8  11.842  -0.679 -12.531
   87   2HH2  ARG   8          1HH1      ARG   8  13.142   0.166 -11.755
   88    QB   ARG   8           QB       ARG   8  11.367  -3.100  -8.447
   89    QG   ARG   8           QG       ARG   8   9.095  -3.375  -9.359
   90    QD   ARG   8           QD       ARG   8   9.762  -1.605 -10.660
   91    QH1  ARG   8           QH2      ARG   8  13.479  -1.337  -9.302
   92    QH2  ARG   8           QH1      ARG   8  12.492  -0.256 -12.143
   93    H    SER   9           HN       SER   9  10.230  -3.464  -4.477
   94    HA   SER   9           HA       SER   9  11.904  -2.738  -2.925
   95   1HB   SER   9          2HB       SER   9  13.022  -5.331  -4.057
   96   2HB   SER   9          3HB       SER   9  13.476  -4.614  -2.497
   97    HG   SER   9           HG       SER   9  11.300  -6.062  -3.122
   98    QB   SER   9           QB       SER   9  13.249  -4.973  -3.277
   99    H    GLY  10           HN       GLY  10  12.361  -1.154  -5.028
  100   1HA   GLY  10          1HA       GLY  10  14.896  -0.153  -4.873
  101   2HA   GLY  10          2HA       GLY  10  15.120  -1.489  -6.002
  102    QA   GLY  10           QA       GLY  10  15.008  -0.821  -5.437
  103    H    CYS  11           HN       CYS  11  12.594   0.877  -5.488
  104    HA   CYS  11           HA       CYS  11  13.050   2.151  -8.087
  105   1HB   CYS  11          2HB       CYS  11  10.451   1.821  -8.468
  106   2HB   CYS  11          3HB       CYS  11  11.605   0.644  -9.035
  107    QB   CYS  11           QB       CYS  11  11.028   1.232  -8.752
  108    HA   PRO  12           HA       PRO  12  13.099   3.843  -4.072
  109   1HB   PRO  12          2HB       PRO  12  12.623   6.587  -5.193
  110   2HB   PRO  12          3HB       PRO  12  13.848   6.037  -4.042
  111   1HG   PRO  12          2HG       PRO  12  14.371   6.465  -6.728
  112   2HG   PRO  12          3HG       PRO  12  15.291   5.338  -5.729
  113   1HD   PRO  12          2HD       PRO  12  13.402   4.740  -7.906
  114   2HD   PRO  12          3HD       PRO  12  14.539   3.646  -7.095
  115    QB   PRO  12           QB       PRO  12  13.236   6.312  -4.617
  116    QG   PRO  12           QG       PRO  12  14.831   5.901  -6.229
  117    QD   PRO  12           QD       PRO  12  13.970   4.193  -7.500
  118    OH   TYR  13           OH       TYR  13   9.602  11.535  -7.009
  119    H    TYR  13           HN       TYR  13  10.698   5.782  -5.873
  120    HA   TYR  13           HA       TYR  13   8.909   6.437  -3.874
  121   1HB   TYR  13          2HB       TYR  13   8.367   5.524  -6.709
  122   2HB   TYR  13          3HB       TYR  13   7.080   6.113  -5.661
  123    HD1  TYR  13           HD1      TYR  13   7.733   8.384  -4.363
  124    HD2  TYR  13           HD2      TYR  13   9.441   7.139  -8.055
  125    HE1  TYR  13           HE1      TYR  13   8.375  10.698  -4.847
  126    HE2  TYR  13           HE2      TYR  13  10.069   9.456  -8.545
  127    HH   TYR  13           HH       TYR  13  10.543  11.561  -7.198
  128    QB   TYR  13           QB       TYR  13   7.723   5.819  -6.185
  129    QR   TYR  13           QR       TYR  13   8.905   8.919  -6.453
  130    H    CYS  14           HN       CYS  14   9.182   3.300  -5.404
  131    HA   CYS  14           HA       CYS  14   6.938   1.925  -4.422
  132   1HB   CYS  14          2HB       CYS  14   9.785   0.949  -4.701
  133   2HB   CYS  14          3HB       CYS  14   8.420  -0.096  -4.450
  134    QB   CYS  14           QB       CYS  14   9.102   0.427  -4.576
  135    H    VAL  15           HN       VAL  15  10.057   2.462  -2.829
  136    HA   VAL  15           HA       VAL  15   9.562   0.890  -0.507
  137    HB   VAL  15           HB       VAL  15  11.216   3.423  -0.783
  138   1HG1  VAL  15          2HG1      VAL  15  10.711   2.776   1.589
  139   2HG1  VAL  15          3HG1      VAL  15  11.337   1.168   1.266
  140   3HG1  VAL  15          1HG1      VAL  15  12.413   2.560   1.195
  141   1HG2  VAL  15          3HG2      VAL  15  11.808   1.606  -2.374
  142   2HG2  VAL  15          1HG2      VAL  15  13.065   1.807  -1.157
  143   3HG2  VAL  15          2HG2      VAL  15  11.919   0.471  -1.035
  144    QG1  VAL  15           QG1      VAL  15  11.487   2.168   1.350
  145    QG2  VAL  15           QG2      VAL  15  12.264   1.295  -1.522
  146    QQG  VAL  15           QQG      VAL  15  11.875   1.731  -0.086
  147    NH1  ARG  16           NH1      ARG  16  10.533   5.206   2.332
  148    NH2  ARG  16           NH2      ARG  16   9.471   6.688   3.717
  149    H    ARG  16           HN       ARG  16   8.919   4.346  -1.094
  150    HA   ARG  16           HA       ARG  16   7.995   5.143   1.413
  151   1HB   ARG  16          2HB       ARG  16   6.929   5.838  -1.342
  152   2HB   ARG  16          3HB       ARG  16   6.306   6.601   0.114
  153   1HG   ARG  16          2HG       ARG  16   9.250   6.560  -0.645
  154   2HG   ARG  16          3HG       ARG  16   8.165   7.893  -1.012
  155   1HD   ARG  16          2HD       ARG  16   8.531   8.725   1.059
  156   2HD   ARG  16          3HD       ARG  16   7.782   7.287   1.754
  157    HE   ARG  16           HE       ARG  16  10.722   7.589   1.219
  158   1HH1  ARG  16          2HH1      ARG  16  10.903   5.007   1.427
  159   2HH1  ARG  16          1HH1      ARG  16  10.589   4.506   3.061
  160   1HH2  ARG  16          2HH2      ARG  16   9.075   7.592   3.842
  161   2HH2  ARG  16          1HH2      ARG  16   9.484   6.038   4.482
  162    QB   ARG  16           QB       ARG  16   6.618   6.219  -0.614
  163    QG   ARG  16           QG       ARG  16   8.707   7.227  -0.828
  164    QD   ARG  16           QD       ARG  16   8.156   8.006   1.406
  165    QH1  ARG  16           QH1      ARG  16  10.746   4.757   2.244
  166    QH2  ARG  16           QH2      ARG  16   9.279   6.815   4.162
  167    H    ALA  17           HN       ALA  17   6.071   3.498  -1.055
  168    HA   ALA  17           HA       ALA  17   3.595   3.329   0.227
  169   1HB   ALA  17          2HB       ALA  17   5.011   1.101  -1.272
  170   2HB   ALA  17          3HB       ALA  17   3.279   1.168  -0.952
  171   3HB   ALA  17          1HB       ALA  17   4.029   2.362  -2.004
  172    QB   ALA  17           QB       ALA  17   4.106   1.544  -1.409
  173    H    LYS  18           HN       LYS  18   6.452   1.298   0.851
  174    HA   LYS  18           HA       LYS  18   5.155  -0.456   2.722
  175   1HB   LYS  18          2HB       LYS  18   7.273  -1.001   1.545
  176   2HB   LYS  18          3HB       LYS  18   8.089   0.317   2.362
  177   1HG   LYS  18          2HG       LYS  18   6.711  -1.861   3.948
  178   2HG   LYS  18          3HG       LYS  18   8.329  -2.115   3.308
  179   1HD   LYS  18          2HD       LYS  18   9.001   0.078   4.416
  180   2HD   LYS  18          3HD       LYS  18   7.448   0.063   5.227
  181   1HE   LYS  18          2HE       LYS  18   9.632  -2.041   5.456
  182   2HE   LYS  18          3HE       LYS  18   9.104  -0.935   6.715
  183   1HZ   LYS  18          1HZ       LYS  18   6.844  -2.311   5.818
  184   2HZ   LYS  18          2HZ       LYS  18   8.066  -3.458   6.083
  185   3HZ   LYS  18          3HZ       LYS  18   7.600  -2.399   7.328
  186    QB   LYS  18           QB       LYS  18   7.681  -0.342   1.953
  187    QG   LYS  18           QG       LYS  18   7.520  -1.988   3.628
  188    QD   LYS  18           QD       LYS  18   8.224   0.070   4.822
  189    QE   LYS  18           QE       LYS  18   9.368  -1.488   6.085
  190    QZ   LYS  18           QZ       LYS  18   7.503  -2.723   6.410
  191    H    ASP  19           HN       ASP  19   7.345   2.305   3.117
  192    HA   ASP  19           HA       ASP  19   7.274   2.554   5.910
  193   1HB   ASP  19          2HB       ASP  19   7.360   4.740   3.808
  194   2HB   ASP  19          3HB       ASP  19   7.777   4.952   5.500
  195    QB   ASP  19           QB       ASP  19   7.568   4.846   4.654
  196    H    LEU  20           HN       LEU  20   5.039   3.927   3.554
  197    HA   LEU  20           HA       LEU  20   3.434   5.291   5.515
  198   1HB   LEU  20          2HB       LEU  20   3.535   5.881   3.065
  199   2HB   LEU  20          3HB       LEU  20   2.642   4.408   2.718
  200    HG   LEU  20           HG       LEU  20   0.761   5.226   4.146
  201   1HD1  LEU  20          3HD1      LEU  20   2.461   7.746   4.307
  202   2HD1  LEU  20          1HD1      LEU  20   0.777   7.641   4.804
  203   3HD1  LEU  20          2HD1      LEU  20   2.003   6.715   5.660
  204   1HD2  LEU  20          1HD2      LEU  20   1.654   7.137   1.954
  205   2HD2  LEU  20          2HD2      LEU  20   0.754   5.648   1.705
  206   3HD2  LEU  20          3HD2      LEU  20   0.006   6.991   2.561
  207    QB   LEU  20           QB       LEU  20   3.089   5.145   2.891
  208    QD1  LEU  20           QD1      LEU  20   1.747   7.367   4.924
  209    QD2  LEU  20           QD2      LEU  20   0.805   6.592   2.073
  210    QQD  LEU  20           QQD      LEU  20   1.276   6.979   3.499
  211    H    ALA  21           HN       ALA  21   2.947   2.236   3.710
  212    HA   ALA  21           HA       ALA  21   0.489   1.564   4.966
  213   1HB   ALA  21          2HB       ALA  21   1.513   0.345   3.001
  214   2HB   ALA  21          3HB       ALA  21   2.699  -0.350   4.100
  215   3HB   ALA  21          1HB       ALA  21   0.993  -0.732   4.282
  216    QB   ALA  21           QB       ALA  21   1.735  -0.246   3.795
  217    H    GLU  22           HN       GLU  22   3.841   0.985   5.838
  218    HA   GLU  22           HA       GLU  22   3.536  -0.500   8.202
  219   1HB   GLU  22          2HB       GLU  22   5.673   0.148   6.953
  220   2HB   GLU  22          3HB       GLU  22   5.557   1.714   7.732
  221   1HG   GLU  22          2HG       GLU  22   6.733   0.791   9.416
  222   2HG   GLU  22          3HG       GLU  22   5.253  -0.057   9.860
  223    QB   GLU  22           QB       GLU  22   5.615   0.931   7.342
  224    QG   GLU  22           QG       GLU  22   5.993   0.367   9.638
  225    H    LYS  23           HN       LYS  23   3.985   2.977   7.814
  226    HA   LYS  23           HA       LYS  23   3.564   3.957  10.319
  227   1HB   LYS  23          2HB       LYS  23   3.822   5.426   8.366
  228   2HB   LYS  23          3HB       LYS  23   2.237   4.974   7.773
  229   1HG   LYS  23          2HG       LYS  23   1.142   6.011   9.668
  230   2HG   LYS  23          3HG       LYS  23   2.683   6.272  10.460
  231   1HD   LYS  23          2HD       LYS  23   3.369   7.816   8.645
  232   2HD   LYS  23          3HD       LYS  23   1.840   7.534   7.827
  233   1HE   LYS  23          2HE       LYS  23   1.803   9.642   9.149
  234   2HE   LYS  23          3HE       LYS  23   0.597   8.494   9.710
  235   1HZ   LYS  23          3HZ       LYS  23   2.994   8.026  11.114
  236   2HZ   LYS  23          1HZ       LYS  23   2.633   9.683  11.200
  237   3HZ   LYS  23          2HZ       LYS  23   1.501   8.527  11.716
  238    QB   LYS  23           QB       LYS  23   3.030   5.200   8.069
  239    QG   LYS  23           QG       LYS  23   1.912   6.142  10.064
  240    QD   LYS  23           QD       LYS  23   2.604   7.675   8.236
  241    QE   LYS  23           QE       LYS  23   1.200   9.068   9.430
  242    QZ   LYS  23           QZ       LYS  23   2.376   8.746  11.343
  243    H    LEU  24           HN       LEU  24   0.867   3.343   8.091
  244    HA   LEU  24           HA       LEU  24  -1.205   3.661  10.017
  245   1HB   LEU  24          2HB       LEU  24  -0.990   2.098   7.426
  246   2HB   LEU  24          3HB       LEU  24  -2.468   2.056   8.371
  247    HG   LEU  24           HG       LEU  24  -1.191   4.675   7.574
  248   1HD1  LEU  24          1HD1      LEU  24  -3.226   3.005   6.042
  249   2HD1  LEU  24          2HD1      LEU  24  -2.753   4.648   5.630
  250   3HD1  LEU  24          3HD1      LEU  24  -1.580   3.346   5.526
  251   1HD2  LEU  24          3HD2      LEU  24  -4.039   3.830   8.286
  252   2HD2  LEU  24          1HD2      LEU  24  -2.950   4.747   9.323
  253   3HD2  LEU  24          2HD2      LEU  24  -3.557   5.461   7.833
  254    QB   LEU  24           QB       LEU  24  -1.729   2.077   7.898
  255    QD1  LEU  24           QD1      LEU  24  -2.520   3.666   5.733
  256    QD2  LEU  24           QD2      LEU  24  -3.515   4.679   8.480
  257    QQD  LEU  24           QQD      LEU  24  -3.017   4.173   7.106
  258    H    SER  25           HN       SER  25   0.151   0.543   8.843
  259    HA   SER  25           HA       SER  25  -1.350  -1.106  10.565
  260   1HB   SER  25          2HB       SER  25   0.760  -2.675  10.375
  261   2HB   SER  25          3HB       SER  25  -0.148  -2.264   8.911
  262    HG   SER  25           HG       SER  25   1.778  -0.428   9.723
  263    QB   SER  25           QB       SER  25   0.306  -2.469   9.643
  264    H    ASN  26           HN       ASN  26   1.148   1.054  11.573
  265    HA   ASN  26           HA       ASN  26   1.407  -0.418  14.180
  266   1HB   ASN  26          2HB       ASN  26   3.571   0.106  13.271
  267   2HB   ASN  26          3HB       ASN  26   3.092   1.750  12.874
  268   1HD2  ASN  26          2HD2      ASN  26   3.562   2.942  16.219
  269   2HD2  ASN  26          1HD2      ASN  26   2.863   3.296  14.717
  270    QB   ASN  26           QB       ASN  26   3.331   0.928  13.073
  271    QD2  ASN  26           QD2      ASN  26   3.213   3.119  15.468
  272    H    GLU  27           HN       GLU  27   0.824   2.724  12.806
  273    HA   GLU  27           HA       GLU  27   0.130   4.014  15.320
  274   1HB   GLU  27          2HB       GLU  27   0.179   4.764  12.399
  275   2HB   GLU  27          3HB       GLU  27  -0.507   5.865  13.578
  276   1HG   GLU  27          2HG       GLU  27   1.687   5.604  14.904
  277   2HG   GLU  27          3HG       GLU  27   2.331   4.751  13.505
  278    QB   GLU  27           QB       GLU  27  -0.164   5.314  12.989
  279    QG   GLU  27           QG       GLU  27   2.009   5.178  14.205
  280    NH1  ARG  28           NH1      ARG  28  -9.141   3.321  10.712
  281    NH2  ARG  28           NH2      ARG  28  -9.025   1.210   9.829
  282    H    ARG  28           HN       ARG  28  -1.592   2.262  12.953
  283    HA   ARG  28           HA       ARG  28  -4.212   3.173  14.077
  284   1HB   ARG  28          2HB       ARG  28  -3.561   3.618  11.579
  285   2HB   ARG  28          3HB       ARG  28  -3.819   1.897  11.360
  286   1HG   ARG  28          2HG       ARG  28  -6.024   3.065  12.863
  287   2HG   ARG  28          3HG       ARG  28  -5.776   3.937  11.360
  288   1HD   ARG  28          2HD       ARG  28  -6.202   2.049  10.032
  289   2HD   ARG  28          3HD       ARG  28  -5.805   0.919  11.330
  290    HE   ARG  28           HE       ARG  28  -7.932   1.618  12.443
  291   1HH1  ARG  28          2HH1      ARG  28  -8.785   3.981  11.376
  292   2HH1  ARG  28          1HH1      ARG  28  -9.889   3.579  10.105
  293   1HH2  ARG  28          2HH2      ARG  28  -8.580   0.305   9.815
  294   2HH2  ARG  28          1HH2      ARG  28  -9.784   1.376   9.209
  295    QB   ARG  28           QB       ARG  28  -3.690   2.757  11.469
  296    QG   ARG  28           QG       ARG  28  -5.900   3.501  12.111
  297    QD   ARG  28           QD       ARG  28  -6.004   1.484  10.681
  298    QH1  ARG  28           QH1      ARG  28  -9.337   3.780  10.740
  299    QH2  ARG  28           QH2      ARG  28  -9.182   0.841   9.512
  300    H    ASP  29           HN       ASP  29  -5.923   1.257  13.478
  301    HA   ASP  29           HA       ASP  29  -4.694  -1.271  14.500
  302   1HB   ASP  29          2HB       ASP  29  -7.027  -1.733  15.443
  303   2HB   ASP  29          3HB       ASP  29  -6.121  -0.444  16.214
  304    QB   ASP  29           QB       ASP  29  -6.574  -1.089  15.829
  305    H    ASP  30           HN       ASP  30  -7.648  -0.332  12.699
  306    HA   ASP  30           HA       ASP  30  -7.778  -2.979  11.486
  307   1HB   ASP  30          2HB       ASP  30  -9.882  -2.017  11.902
  308   2HB   ASP  30          3HB       ASP  30  -9.418  -0.455  11.276
  309    QB   ASP  30           QB       ASP  30  -9.650  -1.236  11.589
  310    H    PHE  31           HN       PHE  31  -5.316  -2.176  10.793
  311    HA   PHE  31           HA       PHE  31  -5.579  -1.909   7.856
  312   1HB   PHE  31          2HB       PHE  31  -5.199   0.411   8.739
  313   2HB   PHE  31          3HB       PHE  31  -3.656  -0.129   9.389
  314    HD1  PHE  31          2HD       PHE  31  -5.606   0.172   6.196
  315    HD2  PHE  31          1HD       PHE  31  -1.756  -0.354   7.955
  316    HE1  PHE  31          2HE       PHE  31  -4.558   0.407   3.985
  317    HE2  PHE  31          1HE       PHE  31  -0.723  -0.113   5.756
  318    HZ   PHE  31           HZ       PHE  31  -2.117   0.255   3.760
  319    QB   PHE  31           QB       PHE  31  -4.428   0.141   9.064
  320    QR   PHE  31           QR       PHE  31  -3.161   0.028   5.973
  321    H    GLN  32           HN       GLN  32  -4.896  -4.015   7.646
  322    HA   GLN  32           HA       GLN  32  -2.113  -4.643   8.522
  323   1HB   GLN  32          2HB       GLN  32  -4.399  -6.411   7.555
  324   2HB   GLN  32          3HB       GLN  32  -2.770  -7.002   7.837
  325   1HG   GLN  32          2HG       GLN  32  -4.267  -7.440   9.783
  326   2HG   GLN  32          3HG       GLN  32  -2.910  -6.409  10.208
  327   1HE2  GLN  32          2HE2      GLN  32  -5.112  -4.072  11.590
  328   2HE2  GLN  32          1HE2      GLN  32  -3.693  -4.988  11.729
  329    QB   GLN  32           QB       GLN  32  -3.584  -6.707   7.696
  330    QG   GLN  32           QG       GLN  32  -3.589  -6.924   9.995
  331    QE2  GLN  32           QE2      GLN  32  -4.403  -4.530  11.659
  332    OH   TYR  33           OH       TYR  33   5.206  -2.898   5.868
  333    H    TYR  33           HN       TYR  33  -0.618  -4.589   6.901
  334    HA   TYR  33           HA       TYR  33  -1.638  -4.653   4.093
  335   1HB   TYR  33          2HB       TYR  33  -0.428  -2.764   3.499
  336   2HB   TYR  33          3HB       TYR  33  -0.861  -2.337   5.150
  337    HD1  TYR  33           HD2      TYR  33   1.844  -3.595   2.978
  338    HD2  TYR  33           HD1      TYR  33   0.860  -2.248   6.895
  339    HE1  TYR  33           HE2      TYR  33   4.216  -3.534   3.557
  340    HE2  TYR  33           HE1      TYR  33   3.233  -2.247   7.477
  341    HH   TYR  33           HH       TYR  33   5.251  -2.874   6.838
  342    QB   TYR  33           QB       TYR  33  -0.645  -2.551   4.324
  343    QR   TYR  33           QR       TYR  33   2.538  -2.906   5.226
  344    H    GLN  34           HN       GLN  34  -0.148  -5.404   2.564
  345    HA   GLN  34           HA       GLN  34   2.193  -6.858   3.686
  346   1HB   GLN  34          2HB       GLN  34   0.319  -8.457   3.269
  347   2HB   GLN  34          3HB       GLN  34   0.260  -7.927   1.590
  348   1HG   GLN  34          2HG       GLN  34   1.567 -10.053   1.891
  349   2HG   GLN  34          3HG       GLN  34   2.533  -8.757   1.200
  350   1HE2  GLN  34          2HE2      GLN  34   3.547 -10.278   4.812
  351   2HE2  GLN  34          1HE2      GLN  34   2.198 -10.862   3.965
  352    QB   GLN  34           QB       GLN  34   0.289  -8.192   2.430
  353    QG   GLN  34           QG       GLN  34   2.050  -9.405   1.545
  354    QE2  GLN  34           QE2      GLN  34   2.872 -10.570   4.389
  355    OH   TYR  35           OH       TYR  35   9.281  -3.708  -2.979
  356    H    TYR  35           HN       TYR  35   4.011  -6.821   2.435
  357    HA   TYR  35           HA       TYR  35   3.862  -4.952   0.114
  358   1HB   TYR  35          2HB       TYR  35   5.463  -4.233   1.787
  359   2HB   TYR  35          3HB       TYR  35   6.186  -5.837   1.862
  360    HD1  TYR  35           HD2      TYR  35   5.526  -3.037  -0.540
  361    HD2  TYR  35           HD1      TYR  35   7.993  -6.363   0.434
  362    HE1  TYR  35           HE2      TYR  35   7.048  -2.445  -2.368
  363    HE2  TYR  35           HE1      TYR  35   9.536  -5.736  -1.353
  364    HH   TYR  35           HH       TYR  35  10.060  -4.281  -2.867
  365    QB   TYR  35           QB       TYR  35   5.824  -5.035   1.825
  366    QR   TYR  35           QR       TYR  35   7.526  -4.395  -0.957
  367    H    VAL  36           HN       VAL  36   4.175  -5.673  -1.843
  368    HA   VAL  36           HA       VAL  36   5.080  -8.477  -2.241
  369    HB   VAL  36           HB       VAL  36   2.793  -6.829  -3.256
  370   1HG1  VAL  36          2HG1      VAL  36   4.144  -8.905  -5.037
  371   2HG1  VAL  36          3HG1      VAL  36   2.601  -8.115  -5.349
  372   3HG1  VAL  36          1HG1      VAL  36   4.087  -7.174  -5.361
  373   1HG2  VAL  36          2HG2      VAL  36   2.507  -8.726  -1.711
  374   2HG2  VAL  36          3HG2      VAL  36   1.712  -9.051  -3.247
  375   3HG2  VAL  36          1HG2      VAL  36   3.257  -9.806  -2.879
  376    QG1  VAL  36           QG1      VAL  36   3.611  -8.065  -5.249
  377    QG2  VAL  36           QG2      VAL  36   2.492  -9.194  -2.612
  378    QQG  VAL  36           QQG      VAL  36   3.051  -8.629  -3.931
  379    H    ASP  37           HN       ASP  37   6.500  -8.846  -3.887
  380    HA   ASP  37           HA       ASP  37   7.790  -6.466  -5.186
  381   1HB   ASP  37          2HB       ASP  37   9.154  -7.792  -3.425
  382   2HB   ASP  37          3HB       ASP  37   9.135  -9.122  -4.575
  383    QB   ASP  37           QB       ASP  37   9.145  -8.457  -4.000
  384    H    ILE  38           HN       ILE  38   7.317  -6.506  -7.306
  385    HA   ILE  38           HA       ILE  38   5.952  -8.604  -8.575
  386    HB   ILE  38           HB       ILE  38   6.508  -7.547 -10.721
  387   1HG1  ILE  38          2HG1      ILE  38   8.104  -5.391  -9.501
  388   2HG1  ILE  38          3HG1      ILE  38   8.932  -6.938  -9.593
  389   1HG2  ILE  38          3HG2      ILE  38   5.980  -5.562  -8.466
  390   2HG2  ILE  38          1HG2      ILE  38   5.635  -5.274 -10.171
  391   3HG2  ILE  38          2HG2      ILE  38   4.762  -6.530  -9.300
  392   1HD1  ILE  38          3HD1      ILE  38   7.553  -5.544 -11.919
  393   2HD1  ILE  38          1HD1      ILE  38   9.292  -5.626 -11.668
  394   3HD1  ILE  38          2HD1      ILE  38   8.381  -7.095 -12.011
  395    QG1  ILE  38           QG1      ILE  38   8.518  -6.165  -9.547
  396    QG2  ILE  38           QG2      ILE  38   5.459  -5.789  -9.313
  397    QD1  ILE  38           QD1      ILE  38   8.408  -6.088 -11.866
  398    NH1  ARG  39           NH1      ARG  39  13.824  -7.795  -4.088
  399    NH2  ARG  39           NH2      ARG  39  15.352  -7.353  -5.728
  400    H    ARG  39           HN       ARG  39   9.409  -8.366  -8.011
  401    HA   ARG  39           HA       ARG  39   9.970 -10.479 -10.016
  402   1HB   ARG  39          2HB       ARG  39  12.268 -10.141  -9.549
  403   2HB   ARG  39          3HB       ARG  39  11.556  -8.541  -9.414
  404   1HG   ARG  39          2HG       ARG  39  11.322  -9.062  -6.880
  405   2HG   ARG  39          3HG       ARG  39  12.391 -10.407  -7.175
  406   1HD   ARG  39          2HD       ARG  39  14.221  -9.080  -7.368
  407   2HD   ARG  39          3HD       ARG  39  13.370  -7.864  -8.320
  408    HE   ARG  39           HE       ARG  39  12.362  -7.075  -6.098
  409   1HH1  ARG  39          2HH1      ARG  39  12.854  -7.942  -3.857
  410   2HH1  ARG  39          1HH1      ARG  39  14.518  -7.803  -3.369
  411   1HH2  ARG  39          2HH2      ARG  39  15.522  -7.179  -6.699
  412   2HH2  ARG  39          1HH2      ARG  39  16.115  -7.349  -5.081
  413    QB   ARG  39           QB       ARG  39  11.912  -9.341  -9.481
  414    QG   ARG  39           QG       ARG  39  11.856  -9.734  -7.027
  415    QD   ARG  39           QD       ARG  39  13.795  -8.472  -7.844
  416    QH1  ARG  39           QH1      ARG  39  13.686  -7.873  -3.613
  417    QH2  ARG  39           QH2      ARG  39  15.818  -7.264  -5.890
  418    H    ALA  40           HN       ALA  40   8.900 -10.530  -6.810
  419    HA   ALA  40           HA       ALA  40  10.313 -13.071  -6.188
  420   1HB   ALA  40          1HB       ALA  40  10.096 -11.374  -4.388
  421   2HB   ALA  40          2HB       ALA  40   8.342 -11.442  -4.536
  422   3HB   ALA  40          3HB       ALA  40   9.233 -12.851  -3.970
  423    QB   ALA  40           QB       ALA  40   9.224 -11.889  -4.298
  424    H    GLU  41           HN       GLU  41   7.107 -11.769  -6.823
  425    HA   GLU  41           HA       GLU  41   5.871 -14.445  -6.686
  426   1HB   GLU  41          2HB       GLU  41   4.782 -11.678  -7.287
  427   2HB   GLU  41          3HB       GLU  41   3.796 -13.119  -7.474
  428   1HG   GLU  41          2HG       GLU  41   4.285 -13.725  -5.085
  429   2HG   GLU  41          3HG       GLU  41   5.175 -12.220  -4.917
  430    QB   GLU  41           QB       GLU  41   4.289 -12.399  -7.380
  431    QG   GLU  41           QG       GLU  41   4.730 -12.972  -5.001
  432    H    GLY  42           HN       GLY  42   6.787 -12.129  -9.217
  433   1HA   GLY  42          1HA       GLY  42   7.571 -13.083 -11.382
  434   2HA   GLY  42          2HA       GLY  42   6.325 -14.317 -11.223
  435    QA   GLY  42           QA       GLY  42   6.948 -13.700 -11.302
  436    H    ILE  43           HN       ILE  43   6.367 -10.809 -10.949
  437    HA   ILE  43           HA       ILE  43   3.999 -10.682 -12.762
  438    HB   ILE  43           HB       ILE  43   4.930  -8.768 -10.591
  439   1HG1  ILE  43          2HG1      ILE  43   2.607 -10.732 -10.579
  440   2HG1  ILE  43          3HG1      ILE  43   4.128 -11.000  -9.741
  441   1HG2  ILE  43          3HG2      ILE  43   3.613  -7.707 -12.440
  442   2HG2  ILE  43          1HG2      ILE  43   2.320  -8.867 -12.135
  443   3HG2  ILE  43          2HG2      ILE  43   2.750  -7.684 -10.911
  444   1HD1  ILE  43          1HD1      ILE  43   3.741  -8.938  -8.395
  445   2HD1  ILE  43          2HD1      ILE  43   2.207  -8.702  -9.220
  446   3HD1  ILE  43          3HD1      ILE  43   2.439 -10.102  -8.183
  447    QG1  ILE  43           QG1      ILE  43   3.368 -10.866 -10.160
  448    QG2  ILE  43           QG2      ILE  43   2.894  -8.086 -11.829
  449    QD1  ILE  43           QD1      ILE  43   2.796  -9.247  -8.599
  450    H    THR  44           HN       THR  44   4.180  -9.419 -14.590
  451    HA   THR  44           HA       THR  44   6.825  -8.082 -14.975
  452    HB   THR  44           HB       THR  44   6.386  -8.272 -17.406
  453    HG1  THR  44          1HG       THR  44   3.946  -9.532 -16.575
  454   1HG2  THR  44          1HG2      THR  44   7.250 -10.315 -16.202
  455   2HG2  THR  44          2HG2      THR  44   5.586 -10.831 -15.948
  456   3HG2  THR  44          3HG2      THR  44   6.238 -10.728 -17.584
  457    QG2  THR  44           QG2      THR  44   6.358 -10.625 -16.578
  458    H    LYS  45           HN       LYS  45   4.210  -7.190 -16.972
  459    HA   LYS  45           HA       LYS  45   3.500  -4.833 -15.330
  460   1HB   LYS  45          2HB       LYS  45   3.635  -3.380 -17.417
  461   2HB   LYS  45          3HB       LYS  45   5.178  -3.852 -16.729
  462   1HG   LYS  45          2HG       LYS  45   5.204  -5.782 -18.400
  463   2HG   LYS  45          3HG       LYS  45   3.794  -5.029 -19.134
  464   1HD   LYS  45          2HD       LYS  45   5.048  -2.985 -19.600
  465   2HD   LYS  45          3HD       LYS  45   6.458  -3.625 -18.759
  466   1HE   LYS  45          2HE       LYS  45   6.598  -3.887 -21.255
  467   2HE   LYS  45          3HE       LYS  45   6.687  -5.422 -20.395
  468   1HZ   LYS  45          3HZ       LYS  45   3.987  -4.746 -20.933
  469   2HZ   LYS  45          1HZ       LYS  45   4.881  -4.742 -22.376
  470   3HZ   LYS  45          2HZ       LYS  45   4.843  -6.125 -21.384
  471    QB   LYS  45           QB       LYS  45   4.407  -3.616 -17.073
  472    QG   LYS  45           QG       LYS  45   4.499  -5.406 -18.767
  473    QD   LYS  45           QD       LYS  45   5.753  -3.305 -19.179
  474    QE   LYS  45           QE       LYS  45   6.643  -4.655 -20.825
  475    QZ   LYS  45           QZ       LYS  45   4.571  -5.204 -21.564
  476    H    GLU  46           HN       GLU  46   2.956  -6.686 -18.322
  477    HA   GLU  46           HA       GLU  46   0.314  -6.023 -18.901
  478   1HB   GLU  46          2HB       GLU  46   1.792  -8.669 -18.997
  479   2HB   GLU  46          3HB       GLU  46   0.086  -8.611 -19.413
  480   1HG   GLU  46          2HG       GLU  46   1.611  -8.374 -21.403
  481   2HG   GLU  46          3HG       GLU  46   0.509  -7.017 -21.204
  482    QB   GLU  46           QB       GLU  46   0.939  -8.640 -19.205
  483    QG   GLU  46           QG       GLU  46   1.060  -7.696 -21.303
  484    H    ASP  47           HN       ASP  47   1.440  -8.490 -16.631
  485    HA   ASP  47           HA       ASP  47  -0.888  -9.452 -15.485
  486   1HB   ASP  47          2HB       ASP  47   1.630  -8.628 -14.005
  487   2HB   ASP  47          3HB       ASP  47   0.422  -9.746 -13.393
  488    QB   ASP  47           QB       ASP  47   1.026  -9.187 -13.699
  489    H    LEU  48           HN       LEU  48   0.939  -6.694 -14.294
  490    HA   LEU  48           HA       LEU  48  -0.900  -5.928 -12.273
  491   1HB   LEU  48          2HB       LEU  48   1.098  -4.300 -13.873
  492   2HB   LEU  48          3HB       LEU  48   0.174  -3.629 -12.541
  493    HG   LEU  48           HG       LEU  48   1.841  -6.140 -12.250
  494   1HD1  LEU  48          1HD1      LEU  48   3.300  -4.236 -12.894
  495   2HD1  LEU  48          2HD1      LEU  48   2.597  -3.266 -11.599
  496   3HD1  LEU  48          3HD1      LEU  48   3.557  -4.696 -11.217
  497   1HD2  LEU  48          2HD2      LEU  48   0.685  -4.155 -10.252
  498   2HD2  LEU  48          3HD2      LEU  48   0.053  -5.771 -10.556
  499   3HD2  LEU  48          1HD2      LEU  48   1.645  -5.572  -9.840
  500    QB   LEU  48           QB       LEU  48   0.636  -3.964 -13.207
  501    QD1  LEU  48           QD1      LEU  48   3.151  -4.066 -11.903
  502    QD2  LEU  48           QD2      LEU  48   0.795  -5.166 -10.216
  503    QQD  LEU  48           QQD      LEU  48   1.973  -4.616 -11.059
  504    H    GLN  49           HN       GLN  49  -0.557  -4.663 -15.573
  505    HA   GLN  49           HA       GLN  49  -2.723  -2.840 -15.465
  506   1HB   GLN  49          2HB       GLN  49  -1.791  -4.533 -17.811
  507   2HB   GLN  49          3HB       GLN  49  -2.893  -3.161 -17.941
  508   1HG   GLN  49          2HG       GLN  49  -1.096  -1.745 -16.800
  509   2HG   GLN  49          3HG       GLN  49  -0.002  -3.115 -16.997
  510   1HE2  GLN  49          2HE2      GLN  49  -0.766  -0.740 -20.141
  511   2HE2  GLN  49          1HE2      GLN  49  -1.249  -0.350 -18.559
  512    QB   GLN  49           QB       GLN  49  -2.342  -3.847 -17.876
  513    QG   GLN  49           QG       GLN  49  -0.549  -2.430 -16.899
  514    QE2  GLN  49           QE2      GLN  49  -1.008  -0.545 -19.350
  515    H    GLN  50           HN       GLN  50  -2.744  -6.286 -16.340
  516    HA   GLN  50           HA       GLN  50  -5.485  -6.616 -16.824
  517   1HB   GLN  50          2HB       GLN  50  -3.935  -8.417 -17.163
  518   2HB   GLN  50          3HB       GLN  50  -3.440  -8.420 -15.498
  519   1HG   GLN  50          2HG       GLN  50  -6.316  -8.963 -16.225
  520   2HG   GLN  50          3HG       GLN  50  -5.111 -10.236 -16.323
  521   1HE2  GLN  50          2HE2      GLN  50  -4.624  -9.448 -12.556
  522   2HE2  GLN  50          1HE2      GLN  50  -3.696  -8.842 -13.842
  523    QB   GLN  50           QB       GLN  50  -3.688  -8.419 -16.331
  524    QG   GLN  50           QG       GLN  50  -5.713  -9.600 -16.274
  525    QE2  GLN  50           QE2      GLN  50  -4.160  -9.145 -13.199
  526    H    LYS  51           HN       LYS  51  -3.747  -6.685 -13.781
  527    HA   LYS  51           HA       LYS  51  -6.033  -7.102 -12.090
  528   1HB   LYS  51          2HB       LYS  51  -3.189  -6.499 -11.757
  529   2HB   LYS  51          3HB       LYS  51  -4.129  -5.715 -10.537
  530   1HG   LYS  51          2HG       LYS  51  -5.173  -8.349 -10.699
  531   2HG   LYS  51          3HG       LYS  51  -3.433  -8.534 -10.846
  532   1HD   LYS  51          2HD       LYS  51  -3.632  -8.541  -8.530
  533   2HD   LYS  51          3HD       LYS  51  -3.382  -6.827  -8.807
  534   1HE   LYS  51          2HE       LYS  51  -5.994  -8.271  -8.269
  535   2HE   LYS  51          3HE       LYS  51  -5.264  -6.975  -7.332
  536   1HZ   LYS  51          3HZ       LYS  51  -5.649  -6.057  -9.952
  537   2HZ   LYS  51          1HZ       LYS  51  -7.089  -6.753  -9.439
  538   3HZ   LYS  51          2HZ       LYS  51  -6.368  -5.510  -8.549
  539    QB   LYS  51           QB       LYS  51  -3.659  -6.107 -11.147
  540    QG   LYS  51           QG       LYS  51  -4.303  -8.442 -10.773
  541    QD   LYS  51           QD       LYS  51  -3.507  -7.684  -8.669
  542    QE   LYS  51           QE       LYS  51  -5.629  -7.623  -7.800
  543    QZ   LYS  51           QZ       LYS  51  -6.368  -6.107  -9.313
  544    H    ALA  52           HN       ALA  52  -5.524  -4.371 -13.904
  545    HA   ALA  52           HA       ALA  52  -6.953  -2.718 -11.846
  546   1HB   ALA  52          1HB       ALA  52  -4.811  -1.801 -13.774
  547   2HB   ALA  52          2HB       ALA  52  -5.708  -0.754 -12.671
  548   3HB   ALA  52          3HB       ALA  52  -4.622  -1.984 -12.037
  549    QB   ALA  52           QB       ALA  52  -5.047  -1.513 -12.828
  550    H    GLY  53           HN       GLY  53  -6.276  -3.090 -15.290
  551   1HA   GLY  53          1HA       GLY  53  -8.412  -3.204 -16.685
  552   2HA   GLY  53          2HA       GLY  53  -8.852  -1.696 -15.894
  553    QA   GLY  53           QA       GLY  53  -8.632  -2.450 -16.290
  554    H    LYS  54           HN       LYS  54  -6.761  -0.085 -16.010
  555    HA   LYS  54           HA       LYS  54  -5.299  -0.239 -18.514
  556   1HB   LYS  54          2HB       LYS  54  -6.411   1.773 -19.569
  557   2HB   LYS  54          3HB       LYS  54  -7.407   0.324 -19.528
  558   1HG   LYS  54          2HG       LYS  54  -8.583   1.159 -17.531
  559   2HG   LYS  54          3HG       LYS  54  -7.545   2.579 -17.486
  560   1HD   LYS  54          2HD       LYS  54  -8.375   3.249 -19.727
  561   2HD   LYS  54          3HD       LYS  54  -9.422   1.833 -19.757
  562   1HE   LYS  54          2HE       LYS  54 -10.565   2.648 -17.702
  563   2HE   LYS  54          3HE       LYS  54  -9.530   4.073 -17.700
  564   1HZ   LYS  54          2HZ       LYS  54 -10.690   3.838 -20.247
  565   2HZ   LYS  54          3HZ       LYS  54 -11.921   3.669 -19.093
  566   3HZ   LYS  54          1HZ       LYS  54 -10.936   5.050 -19.083
  567    QB   LYS  54           QB       LYS  54  -6.909   1.049 -19.549
  568    QG   LYS  54           QG       LYS  54  -8.064   1.869 -17.508
  569    QD   LYS  54           QD       LYS  54  -8.898   2.541 -19.742
  570    QE   LYS  54           QE       LYS  54 -10.048   3.361 -17.701
  571    QZ   LYS  54           QZ       LYS  54 -11.182   4.186 -19.474
  572    HA   PRO  55           HA       PRO  55  -3.513   3.082 -15.930
  573   1HB   PRO  55          2HB       PRO  55  -1.715   1.517 -14.413
  574   2HB   PRO  55          3HB       PRO  55  -3.222   2.227 -13.830
  575   1HG   PRO  55          2HG       PRO  55  -2.666  -0.566 -14.164
  576   2HG   PRO  55          3HG       PRO  55  -4.210   0.175 -13.739
  577   1HD   PRO  55          2HD       PRO  55  -3.270  -0.823 -16.397
  578   2HD   PRO  55          3HD       PRO  55  -4.920  -0.683 -15.768
  579    QB   PRO  55           QB       PRO  55  -2.468   1.872 -14.122
  580    QG   PRO  55           QG       PRO  55  -3.438  -0.196 -13.951
  581    QD   PRO  55           QD       PRO  55  -4.095  -0.753 -16.083
  582    H    VAL  56           HN       VAL  56  -1.394   3.899 -16.117
  583    HA   VAL  56           HA       VAL  56   0.373   2.504 -18.090
  584    HB   VAL  56           HB       VAL  56   1.187   4.809 -18.633
  585   1HG1  VAL  56          3HG1      VAL  56  -0.680   3.760 -19.907
  586   2HG1  VAL  56          1HG1      VAL  56  -1.835   4.470 -18.785
  587   3HG1  VAL  56          2HG1      VAL  56  -0.863   5.511 -19.822
  588   1HG2  VAL  56          3HG2      VAL  56   0.676   5.862 -16.437
  589   2HG2  VAL  56          1HG2      VAL  56  -0.079   6.750 -17.754
  590   3HG2  VAL  56          2HG2      VAL  56  -1.045   5.678 -16.749
  591    QG1  VAL  56           QG1      VAL  56  -1.126   4.581 -19.505
  592    QG2  VAL  56           QG2      VAL  56  -0.149   6.097 -16.980
  593    QQG  VAL  56           QQG      VAL  56  -0.638   5.339 -18.242
  594    H    GLU  57           HN       GLU  57   0.065   3.827 -14.984
  595    HA   GLU  57           HA       GLU  57   2.868   4.187 -14.364
  596   1HB   GLU  57          2HB       GLU  57   1.151   3.589 -12.039
  597   2HB   GLU  57          3HB       GLU  57   2.125   5.006 -12.363
  598   1HG   GLU  57          2HG       GLU  57  -0.175   5.727 -12.225
  599   2HG   GLU  57          3HG       GLU  57   0.272   5.813 -13.922
  600    QB   GLU  57           QB       GLU  57   1.638   4.297 -12.201
  601    QG   GLU  57           QG       GLU  57   0.049   5.770 -13.073
  602    H    THR  58           HN       THR  58   3.368   2.077 -15.417
  603    HA   THR  58           HA       THR  58   2.699  -0.462 -14.572
  604    HB   THR  58           HB       THR  58   4.307  -0.161 -16.400
  605    HG1  THR  58          1HG       THR  58   4.724  -1.726 -14.209
  606   1HG2  THR  58          1HG2      THR  58   5.577   1.819 -15.415
  607   2HG2  THR  58          2HG2      THR  58   6.317   0.708 -14.264
  608   3HG2  THR  58          3HG2      THR  58   6.634   0.531 -15.982
  609    QG2  THR  58           QG2      THR  58   6.176   1.019 -15.220
  610    H    VAL  59           HN       VAL  59   5.021   1.694 -12.987
  611    HA   VAL  59           HA       VAL  59   4.596   0.168 -10.497
  612    HB   VAL  59           HB       VAL  59   7.349   0.809 -11.639
  613   1HG1  VAL  59          1HG1      VAL  59   7.223   0.981  -9.130
  614   2HG1  VAL  59          2HG1      VAL  59   6.629  -0.679  -9.077
  615   3HG1  VAL  59          3HG1      VAL  59   8.244  -0.338  -9.664
  616   1HG2  VAL  59          3HG2      VAL  59   5.930  -1.849 -11.189
  617   2HG2  VAL  59          1HG2      VAL  59   6.288  -1.121 -12.751
  618   3HG2  VAL  59          2HG2      VAL  59   7.594  -1.673 -11.724
  619    QG1  VAL  59           QG1      VAL  59   7.365  -0.012  -9.290
  620    QG2  VAL  59           QG2      VAL  59   6.604  -1.547 -11.888
  621    QQG  VAL  59           QQG      VAL  59   6.985  -0.780 -10.589
  622    HA   PRO  60           HA       PRO  60   4.925   0.218  -8.619
  623   1HB   PRO  60          2HB       PRO  60   4.427   1.363  -6.125
  624   2HB   PRO  60          3HB       PRO  60   5.985   0.743  -6.663
  625   1HG   PRO  60          2HG       PRO  60   5.185   3.528  -6.233
  626   2HG   PRO  60          3HG       PRO  60   6.799   2.897  -6.572
  627   1HD   PRO  60          2HD       PRO  60   4.951   4.234  -8.399
  628   2HD   PRO  60          3HD       PRO  60   6.632   3.743  -8.697
  629    QB   PRO  60           QB       PRO  60   5.206   1.053  -6.394
  630    QG   PRO  60           QG       PRO  60   5.992   3.213  -6.403
  631    QD   PRO  60           QD       PRO  60   5.792   3.988  -8.548
  632    H    GLN  61           HN       GLN  61   2.925  -0.543  -7.428
  633    HA   GLN  61           HA       GLN  61   0.619   1.301  -7.762
  634   1HB   GLN  61          2HB       GLN  61   0.704  -1.492  -8.979
  635   2HB   GLN  61          3HB       GLN  61  -0.723  -0.465  -8.918
  636   1HG   GLN  61          2HG       GLN  61   0.542   1.275 -10.255
  637   2HG   GLN  61          3HG       GLN  61   1.872   0.138 -10.401
  638   1HE2  GLN  61          2HE2      GLN  61  -1.065  -0.122 -13.063
  639   2HE2  GLN  61          1HE2      GLN  61  -0.719   1.263 -12.144
  640    QB   GLN  61           QB       GLN  61  -0.009  -0.979  -8.948
  641    QG   GLN  61           QG       GLN  61   1.207   0.707 -10.328
  642    QE2  GLN  61           QE2      GLN  61  -0.892   0.571 -12.603
  643    H    ILE  62           HN       ILE  62  -1.250   0.780  -6.637
  644    HA   ILE  62           HA       ILE  62  -0.894  -1.290  -4.504
  645    HB   ILE  62           HB       ILE  62  -1.770   1.591  -4.098
  646   1HG1  ILE  62          2HG1      ILE  62   0.637   0.017  -3.099
  647   2HG1  ILE  62          3HG1      ILE  62   0.670   1.173  -4.421
  648   1HG2  ILE  62          1HG2      ILE  62  -1.545  -0.691  -2.081
  649   2HG2  ILE  62          2HG2      ILE  62  -1.917   0.983  -1.684
  650   3HG2  ILE  62          3HG2      ILE  62  -3.053   0.034  -2.628
  651   1HD1  ILE  62          3HD1      ILE  62  -0.083   2.954  -2.900
  652   2HD1  ILE  62          1HD1      ILE  62  -0.078   1.809  -1.556
  653   3HD1  ILE  62          2HD1      ILE  62   1.426   2.230  -2.358
  654    QG1  ILE  62           QG1      ILE  62   0.653   0.595  -3.760
  655    QG2  ILE  62           QG2      ILE  62  -2.172   0.109  -2.131
  656    QD1  ILE  62           QD1      ILE  62   0.422   2.331  -2.271
  657    H    PHE  63           HN       PHE  63  -2.629  -2.113  -3.595
  658    HA   PHE  63           HA       PHE  63  -5.324  -1.508  -4.746
  659   1HB   PHE  63          2HB       PHE  63  -3.952  -4.204  -4.545
  660   2HB   PHE  63          3HB       PHE  63  -5.699  -4.057  -4.669
  661    HD1  PHE  63          2HD       PHE  63  -2.500  -3.337  -6.453
  662    HD2  PHE  63          1HD       PHE  63  -6.747  -3.481  -6.741
  663    HE1  PHE  63          2HE       PHE  63  -2.336  -3.176  -8.886
  664    HE2  PHE  63          1HE       PHE  63  -6.579  -3.282  -9.185
  665    HZ   PHE  63           HZ       PHE  63  -4.372  -3.166 -10.260
  666    QB   PHE  63           QB       PHE  63  -4.826  -4.131  -4.607
  667    QR   PHE  63           QR       PHE  63  -4.541  -3.319  -7.817
  668    H    VAL  64           HN       VAL  64  -6.762  -1.189  -3.074
  669    HA   VAL  64           HA       VAL  64  -5.957  -2.228  -0.380
  670    HB   VAL  64           HB       VAL  64  -8.230  -0.330  -1.130
  671   1HG1  VAL  64          2HG1      VAL  64  -7.050  -1.086   1.571
  672   2HG1  VAL  64          3HG1      VAL  64  -8.312   0.117   1.303
  673   3HG1  VAL  64          1HG1      VAL  64  -8.635  -1.586   0.987
  674   1HG2  VAL  64          1HG2      VAL  64  -5.912   0.589  -1.425
  675   2HG2  VAL  64          2HG2      VAL  64  -6.793   1.411  -0.150
  676   3HG2  VAL  64          3HG2      VAL  64  -5.562   0.210   0.245
  677    QG1  VAL  64           QG1      VAL  64  -7.999  -0.852   1.287
  678    QG2  VAL  64           QG2      VAL  64  -6.089   0.737  -0.443
  679    QQG  VAL  64           QQG      VAL  64  -7.044  -0.058   0.422
  680    H    ASP  65           HN       ASP  65  -6.826  -4.073   0.277
  681    HA   ASP  65           HA       ASP  65  -7.995  -6.045   0.263
  682   1HB   ASP  65          2HB       ASP  65 -10.023  -3.836   0.207
  683   2HB   ASP  65          3HB       ASP  65 -10.595  -5.503   0.086
  684    QB   ASP  65           QB       ASP  65 -10.309  -4.669   0.146
  685    H    GLN  66           HN       GLN  66 -10.232  -4.542  -1.971
  686    HA   GLN  66           HA       GLN  66  -9.201  -6.345  -4.091
  687   1HB   GLN  66          2HB       GLN  66 -11.556  -6.977  -4.713
  688   2HB   GLN  66          3HB       GLN  66 -11.029  -7.602  -3.157
  689   1HG   GLN  66          2HG       GLN  66 -12.236  -5.782  -1.996
  690   2HG   GLN  66          3HG       GLN  66 -12.730  -5.108  -3.549
  691   1HE2  GLN  66          2HE2      GLN  66 -14.684  -8.337  -2.045
  692   2HE2  GLN  66          1HE2      GLN  66 -13.353  -7.668  -1.232
  693    QB   GLN  66           QB       GLN  66 -11.292  -7.289  -3.935
  694    QG   GLN  66           QG       GLN  66 -12.483  -5.445  -2.773
  695    QE2  GLN  66           QE2      GLN  66 -14.018  -8.002  -1.638
  696    H    GLN  67           HN       GLN  67  -9.578  -3.227  -3.519
  697    HA   GLN  67           HA       GLN  67 -10.721  -2.647  -6.179
  698   1HB   GLN  67          2HB       GLN  67 -11.886  -1.676  -4.222
  699   2HB   GLN  67          3HB       GLN  67 -10.383  -0.903  -3.705
  700   1HG   GLN  67          2HG       GLN  67 -10.346   0.527  -5.548
  701   2HG   GLN  67          3HG       GLN  67 -11.443  -0.495  -6.465
  702   1HE2  GLN  67          2HE2      GLN  67 -13.656   1.133  -3.515
  703   2HE2  GLN  67          1HE2      GLN  67 -12.452  -0.017  -3.189
  704    QB   GLN  67           QB       GLN  67 -11.135  -1.290  -3.964
  705    QG   GLN  67           QG       GLN  67 -10.895   0.016  -6.007
  706    QE2  GLN  67           QE2      GLN  67 -13.054   0.558  -3.352
  707    H    HIS  68           HN       HIS  68  -9.624  -0.974  -7.420
  708    HA   HIS  68           HA       HIS  68  -6.674  -1.147  -7.115
  709   1HB   HIS  68          2HB       HIS  68  -7.698  -1.518  -9.363
  710   2HB   HIS  68          3HB       HIS  68  -8.394   0.079  -9.299
  711    HD1  HIS  68           HD1      HIS  68  -7.125   1.288 -11.007
  712    HD2  HIS  68           HD2      HIS  68  -4.544  -0.763  -8.541
  713    HE1  HIS  68           HE1      HIS  68  -4.788   1.949 -11.696
  714    QB   HIS  68           QB       HIS  68  -8.046  -0.719  -9.331
  715    H    ILE  69           HN       ILE  69  -5.422   0.633  -6.551
  716    HA   ILE  69           HA       ILE  69  -7.003   3.104  -5.926
  717    HB   ILE  69           HB       ILE  69  -4.266   2.475  -4.819
  718   1HG1  ILE  69          2HG1      ILE  69  -5.655   0.504  -4.326
  719   2HG1  ILE  69          3HG1      ILE  69  -5.307   1.434  -2.892
  720   1HG2  ILE  69          2HG2      ILE  69  -6.644   4.102  -3.859
  721   2HG2  ILE  69          3HG2      ILE  69  -5.151   3.885  -2.963
  722   3HG2  ILE  69          1HG2      ILE  69  -5.132   4.730  -4.502
  723   1HD1  ILE  69          3HD1      ILE  69  -7.909   1.617  -4.461
  724   2HD1  ILE  69          1HD1      ILE  69  -7.705   0.701  -2.977
  725   3HD1  ILE  69          2HD1      ILE  69  -7.557   2.450  -2.952
  726    QG1  ILE  69           QG1      ILE  69  -5.481   0.969  -3.609
  727    QG2  ILE  69           QG2      ILE  69  -5.642   4.239  -3.775
  728    QD1  ILE  69           QD1      ILE  69  -7.723   1.589  -3.463
  729    H    GLY  70           HN       GLY  70  -4.142   1.875  -7.492
  730   1HA   GLY  70          1HA       GLY  70  -3.662   3.268  -9.618
  731   2HA   GLY  70          2HA       GLY  70  -3.590   4.638  -8.510
  732    QA   GLY  70           QA       GLY  70  -3.626   3.953  -9.064
  733    H    GLY  71           HN       GLY  71  -1.470   5.185  -8.523
  734   1HA   GLY  71          1HA       GLY  71   0.560   3.041  -8.420
  735   2HA   GLY  71          2HA       GLY  71   0.889   4.714  -8.792
  736    QA   GLY  71           QA       GLY  71   0.725   3.878  -8.606
  737    OH   TYR  72           OH       TYR  72   4.127   7.715   0.400
  738    H    TYR  72           HN       TYR  72   0.977   6.243  -7.049
  739    HA   TYR  72           HA       TYR  72   1.033   5.043  -4.333
  740   1HB   TYR  72          2HB       TYR  72   3.364   4.885  -5.002
  741   2HB   TYR  72          3HB       TYR  72   3.361   6.549  -5.577
  742    HD1  TYR  72           HD2      TYR  72   2.642   4.561  -2.477
  743    HD2  TYR  72           HD1      TYR  72   4.056   8.243  -4.087
  744    HE1  TYR  72           HE2      TYR  72   3.141   5.367  -0.204
  745    HE2  TYR  72           HE1      TYR  72   4.522   9.046  -1.822
  746    HH   TYR  72           HH       TYR  72   3.331   8.129   0.751
  747    QB   TYR  72           QB       TYR  72   3.363   5.717  -5.290
  748    QR   TYR  72           QR       TYR  72   3.590   6.804  -2.148
  749    H    THR  73           HN       THR  73   1.631   8.068  -6.104
  750    HA   THR  73           HA       THR  73   1.030   9.964  -4.163
  751    HB   THR  73           HB       THR  73  -0.039  11.207  -6.277
  752    HG1  THR  73          1HG       THR  73  -0.533   9.595  -7.627
  753   1HG2  THR  73          3HG2      THR  73   2.450  11.369  -5.637
  754   2HG2  THR  73          1HG2      THR  73   2.724   9.923  -6.605
  755   3HG2  THR  73          2HG2      THR  73   2.171  11.406  -7.376
  756    QG2  THR  73           QG2      THR  73   2.448  10.900  -6.539
  757    H    ASP  74           HN       ASP  74  -1.149   8.219  -6.237
  758    HA   ASP  74           HA       ASP  74  -3.654   9.155  -5.348
  759   1HB   ASP  74          2HB       ASP  74  -4.337   6.668  -6.005
  760   2HB   ASP  74          3HB       ASP  74  -3.756   7.774  -7.242
  761    QB   ASP  74           QB       ASP  74  -4.046   7.221  -6.623
  762    H    PHE  75           HN       PHE  75  -2.208   6.036  -4.336
  763    HA   PHE  75           HA       PHE  75  -3.938   5.581  -2.166
  764   1HB   PHE  75          2HB       PHE  75  -2.233   3.935  -3.006
  765   2HB   PHE  75          3HB       PHE  75  -0.983   4.879  -2.209
  766    HD1  PHE  75          2HD       PHE  75  -4.386   3.511  -1.239
  767    HD2  PHE  75          1HD       PHE  75  -0.305   4.056  -0.160
  768    HE1  PHE  75          2HE       PHE  75  -4.770   2.281   0.847
  769    HE2  PHE  75          1HE       PHE  75  -0.709   2.898   1.954
  770    HZ   PHE  75           HZ       PHE  75  -2.930   1.975   2.444
  771    QB   PHE  75           QB       PHE  75  -1.608   4.407  -2.607
  772    QR   PHE  75           QR       PHE  75  -2.543   3.187   0.350
  773    H    ALA  76           HN       ALA  76  -0.879   7.392  -2.148
  774    HA   ALA  76           HA       ALA  76  -0.763   8.069   0.588
  775   1HB   ALA  76          2HB       ALA  76   0.994   8.690  -1.065
  776   2HB   ALA  76          3HB       ALA  76  -0.096   9.863  -1.781
  777   3HB   ALA  76          1HB       ALA  76   0.484  10.094  -0.140
  778    QB   ALA  76           QB       ALA  76   0.460   9.549  -0.995
  779    H    ALA  77           HN       ALA  77  -2.339   9.865  -2.032
  780    HA   ALA  77           HA       ALA  77  -3.653  11.797  -0.420
  781   1HB   ALA  77          1HB       ALA  77  -4.634  10.493  -3.008
  782   2HB   ALA  77          2HB       ALA  77  -5.260  11.993  -2.327
  783   3HB   ALA  77          3HB       ALA  77  -3.600  11.912  -2.906
  784    QB   ALA  77           QB       ALA  77  -4.498  11.466  -2.747
  785    CH2  TRP  78           CH2      TRP  78  -7.573   2.809   2.418
  786    H    TRP  78           HN       TRP  78  -4.934   8.721  -1.657
  787    HA   TRP  78           HA       TRP  78  -7.419   8.626  -0.269
  788   1HB   TRP  78          2HB       TRP  78  -6.626   6.996  -1.978
  789   2HB   TRP  78          3HB       TRP  78  -5.459   6.386  -0.849
  790    HD1  TRP  78           HD1      TRP  78  -9.131   6.041  -1.786
  791    HE1  TRP  78           HE1      TRP  78 -10.104   4.082  -0.585
  792    HE3  TRP  78           HE3      TRP  78  -5.377   5.195   1.400
  793    HZ2  TRP  78           HZ2      TRP  78  -9.479   2.410   1.536
  794    HZ3  TRP  78           HZ3      TRP  78  -5.639   3.410   3.091
  795    HH2  TRP  78           HH2      TRP  78  -7.662   2.020   3.151
  796    QB   TRP  78           QB       TRP  78  -6.042   6.691  -1.413
  797    H    VAL  79           HN       VAL  79  -4.186   7.913   0.937
  798    HA   VAL  79           HA       VAL  79  -5.116   6.852   3.466
  799    HB   VAL  79           HB       VAL  79  -2.446   7.948   2.499
  800   1HG1  VAL  79          1HG1      VAL  79  -3.073   6.766   5.226
  801   2HG1  VAL  79          2HG1      VAL  79  -1.466   7.164   4.633
  802   3HG1  VAL  79          3HG1      VAL  79  -2.641   8.443   4.919
  803   1HG2  VAL  79          3HG2      VAL  79  -3.373   5.162   3.285
  804   2HG2  VAL  79          1HG2      VAL  79  -3.098   5.727   1.645
  805   3HG2  VAL  79          2HG2      VAL  79  -1.747   5.574   2.756
  806    QG1  VAL  79           QG1      VAL  79  -2.393   7.457   4.926
  807    QG2  VAL  79           QG2      VAL  79  -2.739   5.488   2.562
  808    QQG  VAL  79           QQG      VAL  79  -2.566   6.472   3.744
  809    H    LYS  80           HN       LYS  80  -3.943   9.982   2.356
  810    HA   LYS  80           HA       LYS  80  -4.483  11.166   4.976
  811   1HB   LYS  80          2HB       LYS  80  -2.803  11.820   2.922
  812   2HB   LYS  80          3HB       LYS  80  -4.118  12.920   2.577
  813   1HG   LYS  80          2HG       LYS  80  -3.569  12.951   5.435
  814   2HG   LYS  80          3HG       LYS  80  -2.078  13.210   4.553
  815   1HD   LYS  80          2HD       LYS  80  -3.159  15.364   5.006
  816   2HD   LYS  80          3HD       LYS  80  -3.126  15.055   3.280
  817   1HE   LYS  80          2HE       LYS  80  -5.325  15.958   4.116
  818   2HE   LYS  80          3HE       LYS  80  -5.471  14.432   3.262
  819   1HZ   LYS  80          1HZ       LYS  80  -5.054  13.861   5.985
  820   2HZ   LYS  80          2HZ       LYS  80  -6.267  15.026   5.891
  821   3HZ   LYS  80          3HZ       LYS  80  -6.443  13.571   5.064
  822    QB   LYS  80           QB       LYS  80  -3.460  12.370   2.750
  823    QG   LYS  80           QG       LYS  80  -2.823  13.080   4.994
  824    QD   LYS  80           QD       LYS  80  -3.143  15.209   4.143
  825    QE   LYS  80           QE       LYS  80  -5.398  15.195   3.689
  826    QZ   LYS  80           QZ       LYS  80  -5.921  14.153   5.647
  827    H    GLU  81           HN       GLU  81  -5.729  11.975   1.785
  828    HA   GLU  81           HA       GLU  81  -7.871  13.590   2.701
  829   1HB   GLU  81          2HB       GLU  81  -7.139  12.229   0.102
  830   2HB   GLU  81          3HB       GLU  81  -8.646  13.094   0.203
  831   1HG   GLU  81          2HG       GLU  81  -7.277  15.130   0.976
  832   2HG   GLU  81          3HG       GLU  81  -5.833  14.193   0.605
  833    QB   GLU  81           QB       GLU  81  -7.893  12.661   0.153
  834    QG   GLU  81           QG       GLU  81  -6.555  14.661   0.791
  835    H    ASN  82           HN       ASN  82  -7.895  10.260   3.014
  836    HA   ASN  82           HA       ASN  82 -10.860  10.393   3.041
  837   1HB   ASN  82          2HB       ASN  82 -10.584   9.225   1.145
  838   2HB   ASN  82          3HB       ASN  82  -8.951   8.754   1.525
  839   1HD2  ASN  82          2HD2      ASN  82  -9.665   5.735   2.722
  840   2HD2  ASN  82          1HD2      ASN  82  -8.568   6.957   2.523
  841    QB   ASN  82           QB       ASN  82  -9.767   8.990   1.335
  842    QD2  ASN  82           QD2      ASN  82  -9.116   6.346   2.623
  843    H    LEU  83           HN       LEU  83  -7.954   9.122   4.544
  844    HA   LEU  83           HA       LEU  83  -9.538   7.601   6.485
  845   1HB   LEU  83          2HB       LEU  83  -6.595   8.282   6.696
  846   2HB   LEU  83          3HB       LEU  83  -7.456   7.014   7.549
  847    HG   LEU  83           HG       LEU  83  -6.947   7.149   4.561
  848   1HD1  LEU  83          2HD1      LEU  83  -5.017   6.479   5.966
  849   2HD1  LEU  83          3HD1      LEU  83  -5.995   5.228   6.721
  850   3HD1  LEU  83          1HD1      LEU  83  -5.601   5.124   5.009
  851   1HD2  LEU  83          2HD2      LEU  83  -8.445   5.062   6.182
  852   2HD2  LEU  83          3HD2      LEU  83  -9.166   6.171   5.020
  853   3HD2  LEU  83          1HD2      LEU  83  -8.044   4.930   4.469
  854    QB   LEU  83           QB       LEU  83  -7.026   7.648   7.122
  855    QD1  LEU  83           QD1      LEU  83  -5.538   5.610   5.899
  856    QD2  LEU  83           QD2      LEU  83  -8.552   5.388   5.223
  857    QQD  LEU  83           QQD      LEU  83  -7.045   5.499   5.561
  858    H    ASP  84           HN       ASP  84  -8.283  10.940   6.408
  859    HA   ASP  84           HA       ASP  84  -9.063  11.013   9.330
  860   1HB   ASP  84          2HB       ASP  84  -7.501  12.904   9.601
  861   2HB   ASP  84          3HB       ASP  84  -6.684  11.445   9.072
  862    QB   ASP  84           QB       ASP  84  -7.092  12.175   9.337
  863    H    ALA  85           HN       ALA  85 -10.978  11.265   7.349
  864    HA   ALA  85           HA       ALA  85 -11.858  14.092   7.753
  865   1HB   ALA  85          3HB       ALA  85 -12.221  12.400   5.254
  866   2HB   ALA  85          1HB       ALA  85 -12.899  14.004   5.498
  867   3HB   ALA  85          2HB       ALA  85 -11.155  13.794   5.405
  868    QB   ALA  85           QB       ALA  85 -12.092  13.399   5.386
   
  Start of MODEL          14
 Raw file had 868 H/Q atoms
  Start of MODEL   14
    1    H    MET   1           HN       MET   1  -9.794  -1.839   4.299
    2    HA   MET   1           HA       MET   1  -8.037  -0.552   4.951
    3   1HB   MET   1          2HB       MET   1  -8.657  -1.794   7.648
    4   2HB   MET   1          3HB       MET   1  -7.584  -0.422   7.406
    5   1HG   MET   1          2HG       MET   1 -10.025   0.060   8.051
    6   2HG   MET   1          3HG       MET   1  -9.308   1.007   6.780
    7   1HE   MET   1          2HE       MET   1 -10.446   1.697   4.919
    8   2HE   MET   1          3HE       MET   1  -9.727   0.305   4.095
    9   3HE   MET   1          1HE       MET   1 -11.423   0.688   3.852
   10    QB   MET   1           QB       MET   1  -8.121  -1.108   7.527
   11    QG   MET   1           QG       MET   1  -9.667   0.534   7.416
   12    QE   MET   1           QE       MET   1 -10.532   0.897   4.289
   13    H    GLN   2           HN       GLN   2  -7.513  -2.903   3.776
   14    HA   GLN   2           HA       GLN   2  -4.983  -3.897   4.991
   15   1HB   GLN   2          2HB       GLN   2  -7.203  -5.315   3.476
   16   2HB   GLN   2          3HB       GLN   2  -5.583  -5.989   3.548
   17   1HG   GLN   2          2HG       GLN   2  -7.225  -6.855   5.309
   18   2HG   GLN   2          3HG       GLN   2  -5.689  -6.272   5.930
   19   1HE2  GLN   2          2HE2      GLN   2  -7.238  -3.989   8.076
   20   2HE2  GLN   2          1HE2      GLN   2  -5.993  -5.111   7.780
   21    QB   GLN   2           QB       GLN   2  -6.393  -5.652   3.512
   22    QG   GLN   2           QG       GLN   2  -6.457  -6.564   5.620
   23    QE2  GLN   2           QE2      GLN   2  -6.616  -4.550   7.928
   24    H    THR   3           HN       THR   3  -3.254  -3.350   3.642
   25    HA   THR   3           HA       THR   3  -4.016  -2.547   0.861
   26    HB   THR   3           HB       THR   3  -1.650  -1.622   2.539
   27    HG1  THR   3          1HG       THR   3  -3.849  -1.099   3.193
   28   1HG2  THR   3          3HG2      THR   3  -2.871  -0.536  -0.043
   29   2HG2  THR   3          1HG2      THR   3  -1.532   0.176   0.839
   30   3HG2  THR   3          2HG2      THR   3  -1.331  -1.378   0.040
   31    QG2  THR   3           QG2      THR   3  -1.911  -0.579   0.279
   32    H    VAL   4           HN       VAL   4  -2.908  -3.182  -0.872
   33    HA   VAL   4           HA       VAL   4  -0.742  -5.231  -0.524
   34    HB   VAL   4           HB       VAL   4  -2.684  -5.170  -2.845
   35   1HG1  VAL   4          1HG1      VAL   4  -0.964  -7.345  -1.585
   36   2HG1  VAL   4          2HG1      VAL   4  -1.981  -7.561  -3.003
   37   3HG1  VAL   4          3HG1      VAL   4  -0.584  -6.484  -3.068
   38   1HG2  VAL   4          3HG2      VAL   4  -3.008  -6.741  -0.253
   39   2HG2  VAL   4          1HG2      VAL   4  -4.054  -5.434  -0.789
   40   3HG2  VAL   4          2HG2      VAL   4  -3.998  -6.941  -1.696
   41    QG1  VAL   4           QG1      VAL   4  -1.176  -7.130  -2.552
   42    QG2  VAL   4           QG2      VAL   4  -3.687  -6.372  -0.913
   43    QQG  VAL   4           QQG      VAL   4  -2.431  -6.751  -1.732
   44    H    ILE   5           HN       ILE   5   1.054  -4.364  -1.185
   45    HA   ILE   5           HA       ILE   5   1.004  -2.269  -3.317
   46    HB   ILE   5           HB       ILE   5   3.294  -3.001  -1.456
   47   1HG1  ILE   5          2HG1      ILE   5   1.260  -2.312  -0.126
   48   2HG1  ILE   5          3HG1      ILE   5   2.630  -1.240   0.065
   49   1HG2  ILE   5          1HG2      ILE   5   2.685  -0.513  -3.082
   50   2HG2  ILE   5          2HG2      ILE   5   4.051  -0.684  -1.986
   51   3HG2  ILE   5          3HG2      ILE   5   3.938  -1.698  -3.421
   52   1HD1  ILE   5          3HD1      ILE   5   0.286  -0.726  -1.791
   53   2HD1  ILE   5          1HD1      ILE   5   0.525   0.038  -0.222
   54   3HD1  ILE   5          2HD1      ILE   5   1.648   0.354  -1.534
   55    QG1  ILE   5           QG1      ILE   5   1.945  -1.776  -0.031
   56    QG2  ILE   5           QG2      ILE   5   3.558  -0.965  -2.830
   57    QD1  ILE   5           QD1      ILE   5   0.820  -0.112  -1.182
   58    H    PHE   6           HN       PHE   6   1.687  -2.900  -5.286
   59    HA   PHE   6           HA       PHE   6   3.206  -5.454  -5.565
   60   1HB   PHE   6          2HB       PHE   6   1.474  -3.858  -7.502
   61   2HB   PHE   6          3HB       PHE   6   2.524  -5.158  -8.039
   62    HD1  PHE   6          2HD       PHE   6  -0.025  -4.682  -5.291
   63    HD2  PHE   6          1HD       PHE   6   1.449  -7.180  -8.417
   64    HE1  PHE   6          2HE       PHE   6  -1.823  -6.291  -4.862
   65    HE2  PHE   6          1HE       PHE   6  -0.330  -8.800  -7.966
   66    HZ   PHE   6           HZ       PHE   6  -1.975  -8.364  -6.184
   67    QB   PHE   6           QB       PHE   6   1.999  -4.508  -7.771
   68    QR   PHE   6           QR       PHE   6  -0.182  -6.738  -6.634
   69    H    GLY   7           HN       GLY   7   5.310  -4.724  -5.277
   70   1HA   GLY   7          1HA       GLY   7   6.309  -2.822  -7.347
   71   2HA   GLY   7          2HA       GLY   7   6.621  -2.411  -5.666
   72    QA   GLY   7           QA       GLY   7   6.465  -2.616  -6.506
   73    NH1  ARG   8           NH1      ARG   8  12.839  -8.151  -6.212
   74    NH2  ARG   8           NH2      ARG   8  14.918  -8.378  -7.164
   75    H    ARG   8           HN       ARG   8   8.877  -2.558  -6.027
   76    HA   ARG   8           HA       ARG   8   9.921  -5.344  -6.067
   77   1HB   ARG   8          2HB       ARG   8  10.188  -3.651  -8.221
   78   2HB   ARG   8          3HB       ARG   8  11.647  -3.267  -7.321
   79   1HG   ARG   8          2HG       ARG   8  10.899  -6.144  -7.762
   80   2HG   ARG   8          3HG       ARG   8  11.644  -5.247  -9.076
   81   1HD   ARG   8          2HD       ARG   8  13.573  -4.706  -7.600
   82   2HD   ARG   8          3HD       ARG   8  12.815  -5.598  -6.284
   83    HE   ARG   8           HE       ARG   8  13.628  -6.909  -8.852
   84   1HH1  ARG   8          2HH1      ARG   8  11.953  -7.658  -6.166
   85   2HH1  ARG   8          1HH1      ARG   8  12.994  -8.912  -5.589
   86   1HH2  ARG   8          2HH2      ARG   8  15.604  -8.046  -7.815
   87   2HH2  ARG   8          1HH2      ARG   8  15.128  -9.165  -6.584
   88    QB   ARG   8           QB       ARG   8  10.918  -3.459  -7.771
   89    QG   ARG   8           QG       ARG   8  11.272  -5.696  -8.419
   90    QD   ARG   8           QD       ARG   8  13.194  -5.152  -6.942
   91    QH1  ARG   8           QH1      ARG   8  12.474  -8.285  -5.877
   92    QH2  ARG   8           QH2      ARG   8  15.366  -8.605  -7.200
   93    H    SER   9           HN       SER   9   9.439  -2.806  -4.263
   94    HA   SER   9           HA       SER   9  10.535  -1.592  -2.588
   95   1HB   SER   9          2HB       SER   9  10.170  -3.924  -1.691
   96   2HB   SER   9          3HB       SER   9  11.839  -4.308  -2.153
   97    HG   SER   9           HG       SER   9  12.330  -3.383  -0.321
   98    QB   SER   9           QB       SER   9  11.005  -4.116  -1.922
   99    H    GLY  10           HN       GLY  10  12.783  -1.475  -1.377
  100   1HA   GLY  10          1HA       GLY  10  15.151  -1.103  -1.507
  101   2HA   GLY  10          2HA       GLY  10  15.105  -1.589  -3.198
  102    QA   GLY  10           QA       GLY  10  15.128  -1.346  -2.352
  103    H    CYS  11           HN       CYS  11  13.772   0.014  -4.588
  104    HA   CYS  11           HA       CYS  11  15.190   2.488  -4.601
  105   1HB   CYS  11          2HB       CYS  11  13.088   3.097  -6.144
  106   2HB   CYS  11          3HB       CYS  11  14.378   2.052  -6.680
  107    QB   CYS  11           QB       CYS  11  13.733   2.575  -6.412
  108    HA   PRO  12           HA       PRO  12  13.501   4.751  -1.355
  109   1HB   PRO  12          2HB       PRO  12  13.464   7.331  -2.468
  110   2HB   PRO  12          3HB       PRO  12  14.860   6.560  -1.708
  111   1HG   PRO  12          2HG       PRO  12  14.229   6.854  -4.633
  112   2HG   PRO  12          3HG       PRO  12  15.800   6.859  -3.826
  113   1HD   PRO  12          2HD       PRO  12  14.859   4.683  -5.217
  114   2HD   PRO  12          3HD       PRO  12  15.942   4.521  -3.820
  115    QB   PRO  12           QB       PRO  12  14.162   6.945  -2.088
  116    QG   PRO  12           QG       PRO  12  15.014   6.857  -4.230
  117    QD   PRO  12           QD       PRO  12  15.401   4.602  -4.519
  118    OH   TYR  13           OH       TYR  13   4.383   6.833  -6.889
  119    H    TYR  13           HN       TYR  13  12.193   6.221  -4.318
  120    HA   TYR  13           HA       TYR  13   9.682   6.996  -3.342
  121   1HB   TYR  13          2HB       TYR  13  10.349   7.613  -5.601
  122   2HB   TYR  13          3HB       TYR  13  10.421   5.927  -6.097
  123    HD1  TYR  13           HD1      TYR  13   8.218   4.576  -6.102
  124    HD2  TYR  13           HD2      TYR  13   8.295   8.819  -5.736
  125    HE1  TYR  13           HE1      TYR  13   5.828   4.670  -6.634
  126    HE2  TYR  13           HE2      TYR  13   5.925   8.906  -6.344
  127    HH   TYR  13           HH       TYR  13   4.232   7.658  -7.371
  128    QB   TYR  13           QB       TYR  13  10.385   6.770  -5.849
  129    QR   TYR  13           QR       TYR  13   7.067   6.743  -6.204
  130    H    CYS  14           HN       CYS  14  10.546   3.884  -4.807
  131    HA   CYS  14           HA       CYS  14   8.044   2.589  -4.584
  132   1HB   CYS  14          2HB       CYS  14  10.695   1.234  -4.063
  133   2HB   CYS  14          3HB       CYS  14   9.268   0.540  -4.782
  134    QB   CYS  14           QB       CYS  14   9.981   0.887  -4.423
  135    H    VAL  15           HN       VAL  15  10.746   2.532  -2.333
  136    HA   VAL  15           HA       VAL  15   9.633   1.021  -0.264
  137    HB   VAL  15           HB       VAL  15  11.612   3.331  -0.169
  138   1HG1  VAL  15          1HG1      VAL  15  10.570   2.937   2.082
  139   2HG1  VAL  15          2HG1      VAL  15  10.988   1.235   1.946
  140   3HG1  VAL  15          3HG1      VAL  15  12.257   2.445   2.043
  141   1HG2  VAL  15          1HG2      VAL  15  12.255   1.304  -1.491
  142   2HG2  VAL  15          2HG2      VAL  15  13.248   1.483  -0.054
  143   3HG2  VAL  15          3HG2      VAL  15  11.942   0.305  -0.080
  144    QG1  VAL  15           QG1      VAL  15  11.272   2.206   2.024
  145    QG2  VAL  15           QG2      VAL  15  12.482   1.031  -0.542
  146    QQG  VAL  15           QQG      VAL  15  11.877   1.618   0.741
  147    NH1  ARG  16           NH1      ARG  16   7.794   7.444   4.251
  148    NH2  ARG  16           NH2      ARG  16   5.930   6.488   3.350
  149    H    ARG  16           HN       ARG  16   9.368   4.559  -0.760
  150    HA   ARG  16           HA       ARG  16   8.081   5.343   1.537
  151   1HB   ARG  16          2HB       ARG  16   7.434   6.102  -1.300
  152   2HB   ARG  16          3HB       ARG  16   6.491   6.749   0.026
  153   1HG   ARG  16          2HG       ARG  16   9.508   6.980  -0.288
  154   2HG   ARG  16          3HG       ARG  16   8.350   8.275  -0.532
  155   1HD   ARG  16          2HD       ARG  16   9.174   6.942   2.061
  156   2HD   ARG  16          3HD       ARG  16   9.133   8.657   1.672
  157    HE   ARG  16           HE       ARG  16   6.522   8.321   1.660
  158   1HH1  ARG  16          2HH1      ARG  16   8.581   8.048   4.136
  159   2HH1  ARG  16          1HH1      ARG  16   7.664   6.970   5.131
  160   1HH2  ARG  16          2HH2      ARG  16   5.364   6.331   2.540
  161   2HH2  ARG  16          1HH2      ARG  16   5.699   6.036   4.210
  162    QB   ARG  16           QB       ARG  16   6.963   6.425  -0.637
  163    QG   ARG  16           QG       ARG  16   8.929   7.628  -0.410
  164    QD   ARG  16           QD       ARG  16   9.153   7.799   1.866
  165    QH1  ARG  16           QH1      ARG  16   8.122   7.509   4.633
  166    QH2  ARG  16           QH2      ARG  16   5.532   6.183   3.375
  167    H    ALA  17           HN       ALA  17   6.296   3.735  -1.127
  168    HA   ALA  17           HA       ALA  17   3.744   3.702   0.040
  169   1HB   ALA  17          3HB       ALA  17   5.129   1.401  -1.400
  170   2HB   ALA  17          1HB       ALA  17   3.390   1.533  -1.139
  171   3HB   ALA  17          2HB       ALA  17   4.215   2.696  -2.166
  172    QB   ALA  17           QB       ALA  17   4.245   1.877  -1.568
  173    H    LYS  18           HN       LYS  18   6.338   1.379   0.504
  174    HA   LYS  18           HA       LYS  18   5.073  -0.228   2.480
  175   1HB   LYS  18          2HB       LYS  18   6.945  -1.218   1.519
  176   2HB   LYS  18          3HB       LYS  18   7.883   0.261   1.552
  177   1HG   LYS  18          2HG       LYS  18   7.145  -0.801   4.226
  178   2HG   LYS  18          3HG       LYS  18   8.238  -1.807   3.291
  179   1HD   LYS  18          2HD       LYS  18   9.842  -0.054   3.050
  180   2HD   LYS  18          3HD       LYS  18   8.714   1.176   3.584
  181   1HE   LYS  18          2HE       LYS  18   9.716  -1.102   5.335
  182   2HE   LYS  18          3HE       LYS  18  10.374   0.535   5.356
  183   1HZ   LYS  18          1HZ       LYS  18   7.608   0.756   5.552
  184   2HZ   LYS  18          2HZ       LYS  18   8.065  -0.462   6.659
  185   3HZ   LYS  18          3HZ       LYS  18   8.757   1.090   6.769
  186    QB   LYS  18           QB       LYS  18   7.414  -0.479   1.535
  187    QG   LYS  18           QG       LYS  18   7.691  -1.304   3.759
  188    QD   LYS  18           QD       LYS  18   9.278   0.561   3.317
  189    QE   LYS  18           QE       LYS  18  10.045  -0.283   5.346
  190    QZ   LYS  18           QZ       LYS  18   8.143   0.462   6.327
  191    H    ASP  19           HN       ASP  19   7.236   2.583   2.837
  192    HA   ASP  19           HA       ASP  19   7.259   2.552   5.717
  193   1HB   ASP  19          2HB       ASP  19   8.839   3.857   4.284
  194   2HB   ASP  19          3HB       ASP  19   7.539   4.951   3.898
  195    QB   ASP  19           QB       ASP  19   8.189   4.404   4.091
  196    H    LEU  20           HN       LEU  20   5.102   4.218   3.425
  197    HA   LEU  20           HA       LEU  20   3.530   5.560   5.435
  198   1HB   LEU  20          2HB       LEU  20   3.210   6.363   3.224
  199   2HB   LEU  20          3HB       LEU  20   2.970   4.757   2.567
  200    HG   LEU  20           HG       LEU  20   0.770   4.593   3.676
  201   1HD1  LEU  20          2HD1      LEU  20   1.373   7.381   4.752
  202   2HD1  LEU  20          3HD1      LEU  20  -0.168   6.542   4.903
  203   3HD1  LEU  20          1HD1      LEU  20   1.253   5.919   5.722
  204   1HD2  LEU  20          3HD2      LEU  20   1.133   7.241   2.225
  205   2HD2  LEU  20          1HD2      LEU  20   0.832   5.681   1.466
  206   3HD2  LEU  20          2HD2      LEU  20  -0.407   6.423   2.476
  207    QB   LEU  20           QB       LEU  20   3.090   5.560   2.896
  208    QD1  LEU  20           QD1      LEU  20   0.819   6.614   5.126
  209    QD2  LEU  20           QD2      LEU  20   0.519   6.449   2.056
  210    QQD  LEU  20           QQD      LEU  20   0.669   6.531   3.591
  211    H    ALA  21           HN       ALA  21   2.794   2.612   3.559
  212    HA   ALA  21           HA       ALA  21   0.492   1.867   5.019
  213   1HB   ALA  21          1HB       ALA  21   2.588   0.018   3.803
  214   2HB   ALA  21          2HB       ALA  21   0.963  -0.448   4.281
  215   3HB   ALA  21          3HB       ALA  21   1.190   0.681   2.961
  216    QB   ALA  21           QB       ALA  21   1.581   0.084   3.682
  217    H    GLU  22           HN       GLU  22   3.862   0.888   5.543
  218    HA   GLU  22           HA       GLU  22   3.642  -0.677   7.831
  219   1HB   GLU  22          2HB       GLU  22   5.782  -0.277   6.754
  220   2HB   GLU  22          3HB       GLU  22   5.703   1.432   7.128
  221   1HG   GLU  22          2HG       GLU  22   5.788   0.860   9.583
  222   2HG   GLU  22          3HG       GLU  22   5.988  -0.834   9.129
  223    QB   GLU  22           QB       GLU  22   5.742   0.577   6.941
  224    QG   GLU  22           QG       GLU  22   5.888   0.013   9.356
  225    H    LYS  23           HN       LYS  23   4.141   2.801   7.732
  226    HA   LYS  23           HA       LYS  23   4.018   3.379  10.457
  227   1HB   LYS  23          2HB       LYS  23   4.223   4.775   8.081
  228   2HB   LYS  23          3HB       LYS  23   2.639   5.240   8.609
  229   1HG   LYS  23          2HG       LYS  23   3.790   6.845   9.766
  230   2HG   LYS  23          3HG       LYS  23   4.019   5.569  10.944
  231   1HD   LYS  23          2HD       LYS  23   5.985   6.291   8.724
  232   2HD   LYS  23          3HD       LYS  23   6.155   6.728  10.414
  233   1HE   LYS  23          2HE       LYS  23   7.485   4.806  10.265
  234   2HE   LYS  23          3HE       LYS  23   5.968   4.152  10.857
  235   1HZ   LYS  23          3HZ       LYS  23   6.109   4.292   7.976
  236   2HZ   LYS  23          1HZ       LYS  23   7.320   3.319   8.640
  237   3HZ   LYS  23          2HZ       LYS  23   5.694   2.984   8.980
  238    QB   LYS  23           QB       LYS  23   3.431   5.008   8.345
  239    QG   LYS  23           QG       LYS  23   3.905   6.207  10.355
  240    QD   LYS  23           QD       LYS  23   6.070   6.510   9.569
  241    QE   LYS  23           QE       LYS  23   6.726   4.479  10.561
  242    QZ   LYS  23           QZ       LYS  23   6.374   3.532   8.532
  243    H    LEU  24           HN       LEU  24   1.332   3.554   8.101
  244    HA   LEU  24           HA       LEU  24  -0.704   3.965   9.999
  245   1HB   LEU  24          2HB       LEU  24  -0.919   2.264   7.500
  246   2HB   LEU  24          3HB       LEU  24  -2.274   2.930   8.392
  247    HG   LEU  24           HG       LEU  24  -0.138   4.469   6.891
  248   1HD1  LEU  24          3HD1      LEU  24  -1.920   3.374   5.567
  249   2HD1  LEU  24          1HD1      LEU  24  -3.141   4.166   6.560
  250   3HD1  LEU  24          2HD1      LEU  24  -2.083   5.122   5.533
  251   1HD2  LEU  24          3HD2      LEU  24  -2.467   5.503   8.565
  252   2HD2  LEU  24          1HD2      LEU  24  -0.758   5.708   8.949
  253   3HD2  LEU  24          2HD2      LEU  24  -1.441   6.491   7.532
  254    QB   LEU  24           QB       LEU  24  -1.596   2.597   7.946
  255    QD1  LEU  24           QD1      LEU  24  -2.382   4.221   5.886
  256    QD2  LEU  24           QD2      LEU  24  -1.555   5.900   8.348
  257    QQD  LEU  24           QQD      LEU  24  -1.968   5.060   7.117
  258    H    SER  25           HN       SER  25   0.393   0.764   8.795
  259    HA   SER  25           HA       SER  25  -1.429  -0.601  10.527
  260   1HB   SER  25          2HB       SER  25   0.095  -2.640  10.015
  261   2HB   SER  25          3HB       SER  25  -0.626  -1.820   8.622
  262    HG   SER  25           HG       SER  25   1.645  -0.582   9.431
  263    QB   SER  25           QB       SER  25  -0.265  -2.230   9.319
  264    H    ASN  26           HN       ASN  26   0.881   1.241  11.621
  265    HA   ASN  26           HA       ASN  26   1.375  -0.448  14.041
  266   1HB   ASN  26          2HB       ASN  26   3.240   1.382  12.517
  267   2HB   ASN  26          3HB       ASN  26   3.496   1.076  14.232
  268   1HD2  ASN  26          1HD2      ASN  26   4.263  -1.875  11.530
  269   2HD2  ASN  26          2HD2      ASN  26   3.486  -0.448  11.032
  270    QB   ASN  26           QB       ASN  26   3.368   1.229  13.375
  271    QD2  ASN  26           QD2      ASN  26   3.875  -1.162  11.281
  272    H    GLU  27           HN       GLU  27   0.968   2.742  12.674
  273    HA   GLU  27           HA       GLU  27   0.528   4.181  15.146
  274   1HB   GLU  27          2HB       GLU  27  -0.275   4.830  12.274
  275   2HB   GLU  27          3HB       GLU  27  -0.335   5.971  13.602
  276   1HG   GLU  27          2HG       GLU  27   2.068   5.977  13.823
  277   2HG   GLU  27          3HG       GLU  27   2.227   4.588  12.750
  278    QB   GLU  27           QB       GLU  27  -0.305   5.400  12.938
  279    QG   GLU  27           QG       GLU  27   2.148   5.283  13.287
  280    NH1  ARG  28           NH1      ARG  28  -7.066   3.279  12.252
  281    NH2  ARG  28           NH2      ARG  28  -8.254   3.972  10.421
  282    H    ARG  28           HN       ARG  28  -1.410   2.487  12.830
  283    HA   ARG  28           HA       ARG  28  -3.922   3.158  14.303
  284   1HB   ARG  28          2HB       ARG  28  -3.413   2.288  11.446
  285   2HB   ARG  28          3HB       ARG  28  -5.017   2.348  12.131
  286   1HG   ARG  28          2HG       ARG  28  -4.546   4.800  12.710
  287   2HG   ARG  28          3HG       ARG  28  -3.085   4.662  11.741
  288   1HD   ARG  28          2HD       ARG  28  -4.440   5.295  10.009
  289   2HD   ARG  28          3HD       ARG  28  -4.949   3.610  10.011
  290    HE   ARG  28           HE       ARG  28  -6.535   5.922  10.925
  291   1HH1  ARG  28          2HH1      ARG  28  -6.286   3.411  12.859
  292   2HH1  ARG  28          1HH1      ARG  28  -7.741   2.548  12.449
  293   1HH2  ARG  28          2HH2      ARG  28  -8.376   4.640   9.672
  294   2HH2  ARG  28          1HH2      ARG  28  -8.936   3.237  10.575
  295    QB   ARG  28           QB       ARG  28  -4.215   2.318  11.788
  296    QG   ARG  28           QG       ARG  28  -3.816   4.731  12.226
  297    QD   ARG  28           QD       ARG  28  -4.695   4.452  10.010
  298    QH1  ARG  28           QH1      ARG  28  -7.013   2.980  12.654
  299    QH2  ARG  28           QH2      ARG  28  -8.656   3.938  10.123
  300    H    ASP  29           HN       ASP  29  -5.596   1.239  13.578
  301    HA   ASP  29           HA       ASP  29  -4.376  -1.341  14.437
  302   1HB   ASP  29          2HB       ASP  29  -6.569  -1.777  15.618
  303   2HB   ASP  29          3HB       ASP  29  -5.610  -0.486  16.313
  304    QB   ASP  29           QB       ASP  29  -6.089  -1.131  15.966
  305    H    ASP  30           HN       ASP  30  -7.269   0.026  12.790
  306    HA   ASP  30           HA       ASP  30  -7.934  -2.528  11.611
  307   1HB   ASP  30          2HB       ASP  30  -9.537  -1.254  10.224
  308   2HB   ASP  30          3HB       ASP  30  -9.637  -0.749  11.904
  309    QB   ASP  30           QB       ASP  30  -9.587  -1.001  11.064
  310    H    PHE  31           HN       PHE  31  -5.738  -0.020  10.742
  311    HA   PHE  31           HA       PHE  31  -5.578  -0.888   7.967
  312   1HB   PHE  31          2HB       PHE  31  -5.093   1.483   8.587
  313   2HB   PHE  31          3HB       PHE  31  -3.641   0.927   9.400
  314    HD1  PHE  31          2HD       PHE  31  -5.294   1.231   6.110
  315    HD2  PHE  31          1HD       PHE  31  -1.766   0.007   8.131
  316    HE1  PHE  31          2HE       PHE  31  -4.097   1.142   3.965
  317    HE2  PHE  31          1HE       PHE  31  -0.596  -0.174   5.991
  318    HZ   PHE  31           HZ       PHE  31  -1.763   0.405   3.899
  319    QB   PHE  31           QB       PHE  31  -4.367   1.205   8.994
  320    QR   PHE  31           QR       PHE  31  -2.938   0.552   6.049
  321    H    GLN  32           HN       GLN  32  -4.476  -2.426   7.234
  322    HA   GLN  32           HA       GLN  32  -1.900  -3.292   8.455
  323   1HB   GLN  32          2HB       GLN  32  -3.932  -5.291   7.442
  324   2HB   GLN  32          3HB       GLN  32  -2.528  -5.593   8.449
  325   1HG   GLN  32          2HG       GLN  32  -3.567  -4.517  10.362
  326   2HG   GLN  32          3HG       GLN  32  -4.887  -3.907   9.375
  327   1HE2  GLN  32          2HE2      GLN  32  -5.787  -7.156  11.155
  328   2HE2  GLN  32          1HE2      GLN  32  -4.920  -5.815  11.728
  329    QB   GLN  32           QB       GLN  32  -3.230  -5.442   7.946
  330    QG   GLN  32           QG       GLN  32  -4.227  -4.212   9.868
  331    QE2  GLN  32           QE2      GLN  32  -5.353  -6.485  11.441
  332    OH   TYR  33           OH       TYR  33   5.275  -2.591   5.759
  333    H    TYR  33           HN       TYR  33  -0.603  -4.584   6.720
  334    HA   TYR  33           HA       TYR  33  -1.667  -4.456   3.990
  335   1HB   TYR  33          2HB       TYR  33  -0.188  -2.897   3.044
  336   2HB   TYR  33          3HB       TYR  33  -0.721  -2.105   4.525
  337    HD1  TYR  33           HD1      TYR  33   0.838  -2.578   6.652
  338    HD2  TYR  33           HD2      TYR  33   2.080  -3.078   2.608
  339    HE1  TYR  33           HE1      TYR  33   3.171  -2.473   7.352
  340    HE2  TYR  33           HE2      TYR  33   4.420  -2.944   3.308
  341    HH   TYR  33           HH       TYR  33   5.559  -3.470   6.025
  342    QB   TYR  33           QB       TYR  33  -0.454  -2.501   3.784
  343    QR   TYR  33           QR       TYR  33   2.627  -2.768   4.980
  344    H    GLN  34           HN       GLN  34  -0.212  -5.361   2.436
  345    HA   GLN  34           HA       GLN  34   1.969  -7.039   3.579
  346   1HB   GLN  34          2HB       GLN  34   1.282  -8.858   2.156
  347   2HB   GLN  34          3HB       GLN  34  -0.180  -8.314   2.957
  348   1HG   GLN  34          2HG       GLN  34  -0.767  -6.963   0.971
  349   2HG   GLN  34          3HG       GLN  34   0.710  -7.466   0.170
  350   1HE2  GLN  34          2HE2      GLN  34  -0.710 -10.401  -1.069
  351   2HE2  GLN  34          1HE2      GLN  34   0.518  -9.238  -1.172
  352    QB   GLN  34           QB       GLN  34   0.551  -8.586   2.556
  353    QG   GLN  34           QG       GLN  34  -0.028  -7.214   0.570
  354    QE2  GLN  34           QE2      GLN  34  -0.096  -9.819  -1.121
  355    OH   TYR  35           OH       TYR  35   7.584  -2.715  -3.656
  356    H    TYR  35           HN       TYR  35   3.668  -7.514   1.956
  357    HA   TYR  35           HA       TYR  35   3.679  -5.425  -0.193
  358   1HB   TYR  35          2HB       TYR  35   5.474  -5.129   1.636
  359   2HB   TYR  35          3HB       TYR  35   6.209  -6.603   0.998
  360    HD1  TYR  35           HD1      TYR  35   6.762  -6.655  -1.545
  361    HD2  TYR  35           HD2      TYR  35   5.822  -3.051   0.511
  362    HE1  TYR  35           HE1      TYR  35   7.568  -5.357  -3.462
  363    HE2  TYR  35           HE2      TYR  35   6.656  -1.749  -1.394
  364    HH   TYR  35           HH       TYR  35   7.121  -1.864  -3.636
  365    QB   TYR  35           QB       TYR  35   5.841  -5.866   1.317
  366    QR   TYR  35           QR       TYR  35   6.702  -4.203  -1.472
  367    H    VAL  36           HN       VAL  36   3.728  -6.161  -2.143
  368    HA   VAL  36           HA       VAL  36   4.493  -8.991  -2.637
  369    HB   VAL  36           HB       VAL  36   2.227  -7.238  -3.482
  370   1HG1  VAL  36          3HG1      VAL  36   3.500  -9.161  -5.485
  371   2HG1  VAL  36          1HG1      VAL  36   1.964  -8.326  -5.687
  372   3HG1  VAL  36          2HG1      VAL  36   3.465  -7.415  -5.644
  373   1HG2  VAL  36          1HG2      VAL  36   1.993  -9.275  -2.100
  374   2HG2  VAL  36          2HG2      VAL  36   1.094  -9.426  -3.606
  375   3HG2  VAL  36          3HG2      VAL  36   2.639 -10.252  -3.412
  376    QG1  VAL  36           QG1      VAL  36   2.977  -8.301  -5.605
  377    QG2  VAL  36           QG2      VAL  36   1.909  -9.651  -3.040
  378    QQG  VAL  36           QQG      VAL  36   2.443  -8.976  -4.322
  379    H    ASP  37           HN       ASP  37   6.124  -9.297  -4.031
  380    HA   ASP  37           HA       ASP  37   7.381  -6.878  -5.259
  381   1HB   ASP  37          2HB       ASP  37   8.758  -8.106  -3.561
  382   2HB   ASP  37          3HB       ASP  37   8.636  -9.540  -4.549
  383    QB   ASP  37           QB       ASP  37   8.697  -8.823  -4.055
  384    H    ILE  38           HN       ILE  38   6.827  -6.777  -7.370
  385    HA   ILE  38           HA       ILE  38   5.640  -8.733  -8.918
  386    HB   ILE  38           HB       ILE  38   6.654  -7.534 -10.934
  387   1HG1  ILE  38          2HG1      ILE  38   7.535  -5.456  -8.947
  388   2HG1  ILE  38          3HG1      ILE  38   8.627  -6.766  -9.346
  389   1HG2  ILE  38          2HG2      ILE  38   5.173  -5.973  -8.791
  390   2HG2  ILE  38          3HG2      ILE  38   5.275  -5.500 -10.479
  391   3HG2  ILE  38          1HG2      ILE  38   4.443  -6.983 -10.032
  392   1HD1  ILE  38          2HD1      ILE  38   8.379  -6.184 -11.773
  393   2HD1  ILE  38          3HD1      ILE  38   7.316  -4.855 -11.326
  394   3HD1  ILE  38          1HD1      ILE  38   9.011  -4.826 -10.842
  395    QG1  ILE  38           QG1      ILE  38   8.081  -6.111  -9.146
  396    QG2  ILE  38           QG2      ILE  38   4.964  -6.152  -9.767
  397    QD1  ILE  38           QD1      ILE  38   8.235  -5.288 -11.314
  398    NH1  ARG  39           NH1      ARG  39   9.850 -11.140 -12.392
  399    NH2  ARG  39           NH2      ARG  39   8.876  -9.229 -13.114
  400    H    ARG  39           HN       ARG  39   9.034  -8.673  -8.099
  401    HA   ARG  39           HA       ARG  39   9.563 -10.640 -10.251
  402   1HB   ARG  39          2HB       ARG  39  11.620  -9.809  -8.218
  403   2HB   ARG  39          3HB       ARG  39  11.872 -10.357  -9.864
  404   1HG   ARG  39          2HG       ARG  39  10.843  -7.674  -8.936
  405   2HG   ARG  39          3HG       ARG  39  12.292  -7.992  -9.863
  406   1HD   ARG  39          2HD       ARG  39   9.412  -8.125 -10.798
  407   2HD   ARG  39          3HD       ARG  39  10.708  -7.119 -11.424
  408    HE   ARG  39           HE       ARG  39  11.739  -9.272 -12.314
  409   1HH1  ARG  39          1HH1      ARG  39  10.614 -11.597 -11.939
  410   2HH1  ARG  39          2HH1      ARG  39   9.082 -11.679 -12.744
  411   1HH2  ARG  39          2HH2      ARG  39   8.902  -8.239 -13.182
  412   2HH2  ARG  39          1HH2      ARG  39   8.093  -9.739 -13.486
  413    QB   ARG  39           QB       ARG  39  11.746 -10.083  -9.041
  414    QG   ARG  39           QG       ARG  39  11.567  -7.833  -9.399
  415    QD   ARG  39           QD       ARG  39  10.060  -7.622 -11.111
  416    QH1  ARG  39           QH1      ARG  39   9.848 -11.638 -12.341
  417    QH2  ARG  39           QH2      ARG  39   8.497  -8.989 -13.334
  418    H    ALA  40           HN       ALA  40   9.770 -10.408  -6.710
  419    HA   ALA  40           HA       ALA  40  10.513 -13.099  -6.174
  420   1HB   ALA  40          3HB       ALA  40  10.207 -11.317  -4.403
  421   2HB   ALA  40          1HB       ALA  40   8.461 -11.493  -4.604
  422   3HB   ALA  40          2HB       ALA  40   9.417 -12.840  -4.003
  423    QB   ALA  40           QB       ALA  40   9.362 -11.883  -4.336
  424    H    GLU  41           HN       GLU  41   7.405 -11.635  -6.818
  425    HA   GLU  41           HA       GLU  41   5.944 -14.182  -6.680
  426   1HB   GLU  41          2HB       GLU  41   5.097 -11.374  -7.506
  427   2HB   GLU  41          3HB       GLU  41   4.000 -12.722  -7.256
  428   1HG   GLU  41          2HG       GLU  41   5.854 -11.638  -5.100
  429   2HG   GLU  41          3HG       GLU  41   4.169 -11.169  -5.267
  430    QB   GLU  41           QB       GLU  41   4.549 -12.048  -7.381
  431    QG   GLU  41           QG       GLU  41   5.011 -11.404  -5.184
  432    H    GLY  42           HN       GLY  42   8.071 -13.699  -8.733
  433   1HA   GLY  42          1HA       GLY  42   8.338 -13.642 -11.113
  434   2HA   GLY  42          2HA       GLY  42   7.509 -15.167 -10.863
  435    QA   GLY  42           QA       GLY  42   7.924 -14.405 -10.988
  436    H    ILE  43           HN       ILE  43   6.578 -11.714 -11.067
  437    HA   ILE  43           HA       ILE  43   4.246 -12.550 -12.738
  438    HB   ILE  43           HB       ILE  43   4.766  -9.834 -11.455
  439   1HG1  ILE  43          2HG1      ILE  43   3.136 -12.174 -10.404
  440   2HG1  ILE  43          3HG1      ILE  43   4.620 -11.547  -9.706
  441   1HG2  ILE  43          3HG2      ILE  43   2.226 -11.117 -12.559
  442   2HG2  ILE  43          1HG2      ILE  43   2.322  -9.526 -11.814
  443   3HG2  ILE  43          2HG2      ILE  43   3.143  -9.819 -13.321
  444   1HD1  ILE  43          1HD1      ILE  43   3.513  -9.356  -9.307
  445   2HD1  ILE  43          2HD1      ILE  43   2.013  -9.999  -9.966
  446   3HD1  ILE  43          3HD1      ILE  43   2.674 -10.663  -8.485
  447    QG1  ILE  43           QG1      ILE  43   3.878 -11.861 -10.055
  448    QG2  ILE  43           QG2      ILE  43   2.563 -10.154 -12.565
  449    QD1  ILE  43           QD1      ILE  43   2.734 -10.006  -9.253
  450    H    THR  44           HN       THR  44   3.752 -11.125 -14.579
  451    HA   THR  44           HA       THR  44   6.225 -10.047 -15.806
  452    HB   THR  44           HB       THR  44   5.365 -12.035 -16.959
  453    HG1  THR  44          1HG       THR  44   4.859 -10.295 -18.874
  454   1HG2  THR  44          2HG2      THR  44   2.998 -11.502 -16.418
  455   2HG2  THR  44          3HG2      THR  44   3.111 -10.092 -17.464
  456   3HG2  THR  44          1HG2      THR  44   3.270 -11.708 -18.147
  457    QG2  THR  44           QG2      THR  44   3.126 -11.101 -17.343
  458    H    LYS  45           HN       LYS  45   5.126  -8.554 -17.812
  459    HA   LYS  45           HA       LYS  45   4.033  -6.305 -16.219
  460   1HB   LYS  45          2HB       LYS  45   5.684  -5.718 -17.887
  461   2HB   LYS  45          3HB       LYS  45   4.816  -6.587 -19.150
  462   1HG   LYS  45          2HG       LYS  45   3.147  -4.960 -19.315
  463   2HG   LYS  45          3HG       LYS  45   3.381  -4.395 -17.668
  464   1HD   LYS  45          2HD       LYS  45   4.178  -2.710 -19.212
  465   2HD   LYS  45          3HD       LYS  45   5.553  -3.375 -18.356
  466   1HE   LYS  45          2HE       LYS  45   6.257  -4.652 -20.261
  467   2HE   LYS  45          3HE       LYS  45   4.720  -4.415 -21.085
  468   1HZ   LYS  45          3HZ       LYS  45   5.675  -1.873 -20.566
  469   2HZ   LYS  45          1HZ       LYS  45   7.038  -2.747 -21.127
  470   3HZ   LYS  45          2HZ       LYS  45   5.628  -2.642 -22.074
  471    QB   LYS  45           QB       LYS  45   5.250  -6.152 -18.519
  472    QG   LYS  45           QG       LYS  45   3.264  -4.678 -18.491
  473    QD   LYS  45           QD       LYS  45   4.866  -3.042 -18.784
  474    QE   LYS  45           QE       LYS  45   5.488  -4.534 -20.673
  475    QZ   LYS  45           QZ       LYS  45   6.114  -2.421 -21.256
  476    H    GLU  46           HN       GLU  46   2.989  -8.344 -18.884
  477    HA   GLU  46           HA       GLU  46   0.496  -7.259 -19.537
  478   1HB   GLU  46          2HB       GLU  46   1.186 -10.209 -19.206
  479   2HB   GLU  46          3HB       GLU  46  -0.235  -9.608 -20.046
  480   1HG   GLU  46          2HG       GLU  46   1.568 -10.153 -21.651
  481   2HG   GLU  46          3HG       GLU  46   1.218  -8.430 -21.684
  482    QB   GLU  46           QB       GLU  46   0.475  -9.909 -19.626
  483    QG   GLU  46           QG       GLU  46   1.393  -9.291 -21.667
  484    H    ASP  47           HN       ASP  47   1.156  -9.597 -16.998
  485    HA   ASP  47           HA       ASP  47  -1.342  -9.982 -15.840
  486   1HB   ASP  47          2HB       ASP  47   0.881 -11.011 -15.167
  487   2HB   ASP  47          3HB       ASP  47   1.209  -9.547 -14.252
  488    QB   ASP  47           QB       ASP  47   1.045 -10.279 -14.710
  489    H    LEU  48           HN       LEU  48   0.977  -7.583 -14.691
  490    HA   LEU  48           HA       LEU  48  -0.471  -6.223 -12.803
  491   1HB   LEU  48          2HB       LEU  48   1.561  -5.373 -14.831
  492   2HB   LEU  48          3HB       LEU  48   0.794  -4.111 -13.880
  493    HG   LEU  48           HG       LEU  48   2.039  -6.584 -12.629
  494   1HD1  LEU  48          3HD1      LEU  48   3.235  -3.815 -13.028
  495   2HD1  LEU  48          1HD1      LEU  48   3.968  -5.124 -12.108
  496   3HD1  LEU  48          2HD1      LEU  48   3.762  -5.285 -13.845
  497   1HD2  LEU  48          1HD2      LEU  48   1.251  -3.854 -11.522
  498   2HD2  LEU  48          2HD2      LEU  48   0.386  -5.360 -11.231
  499   3HD2  LEU  48          3HD2      LEU  48   2.011  -5.140 -10.595
  500    QB   LEU  48           QB       LEU  48   1.177  -4.742 -14.356
  501    QD1  LEU  48           QD1      LEU  48   3.655  -4.741 -12.994
  502    QD2  LEU  48           QD2      LEU  48   1.216  -4.785 -11.116
  503    QQD  LEU  48           QQD      LEU  48   2.436  -4.763 -12.055
  504    H    GLN  49           HN       GLN  49  -0.619  -5.402 -16.256
  505    HA   GLN  49           HA       GLN  49  -2.380  -3.242 -16.162
  506   1HB   GLN  49          2HB       GLN  49  -2.260  -5.520 -18.146
  507   2HB   GLN  49          3HB       GLN  49  -3.369  -4.166 -18.354
  508   1HG   GLN  49          2HG       GLN  49  -1.350  -2.624 -18.137
  509   2HG   GLN  49          3HG       GLN  49  -0.342  -4.072 -18.248
  510   1HE2  GLN  49          2HE2      GLN  49  -0.651  -4.225 -21.729
  511   2HE2  GLN  49          1HE2      GLN  49   0.163  -4.718 -20.325
  512    QB   GLN  49           QB       GLN  49  -2.814  -4.843 -18.250
  513    QG   GLN  49           QG       GLN  49  -0.846  -3.348 -18.192
  514    QE2  GLN  49           QE2      GLN  49  -0.244  -4.471 -21.027
  515    H    GLN  50           HN       GLN  50  -3.270  -6.662 -16.064
  516    HA   GLN  50           HA       GLN  50  -6.096  -6.346 -16.103
  517   1HB   GLN  50          2HB       GLN  50  -4.785  -8.496 -16.328
  518   2HB   GLN  50          3HB       GLN  50  -4.493  -8.452 -14.598
  519   1HG   GLN  50          2HG       GLN  50  -7.343  -8.125 -15.336
  520   2HG   GLN  50          3HG       GLN  50  -6.648  -9.668 -15.813
  521   1HE2  GLN  50          2HE2      GLN  50  -6.717 -10.921 -12.528
  522   2HE2  GLN  50          1HE2      GLN  50  -6.581 -11.244 -14.190
  523    QB   GLN  50           QB       GLN  50  -4.639  -8.474 -15.463
  524    QG   GLN  50           QG       GLN  50  -6.996  -8.896 -15.575
  525    QE2  GLN  50           QE2      GLN  50  -6.649 -11.082 -13.359
  526    H    LYS  51           HN       LYS  51  -3.911  -6.634 -13.370
  527    HA   LYS  51           HA       LYS  51  -5.649  -6.520 -11.222
  528   1HB   LYS  51          2HB       LYS  51  -2.850  -5.545 -11.675
  529   2HB   LYS  51          3HB       LYS  51  -3.630  -5.112 -10.179
  530   1HG   LYS  51          2HG       LYS  51  -3.952  -7.960 -10.912
  531   2HG   LYS  51          3HG       LYS  51  -2.288  -7.475 -10.644
  532   1HD   LYS  51          2HD       LYS  51  -3.268  -8.275  -8.546
  533   2HD   LYS  51          3HD       LYS  51  -2.895  -6.566  -8.411
  534   1HE   LYS  51          2HE       LYS  51  -5.654  -7.461  -9.268
  535   2HE   LYS  51          3HE       LYS  51  -5.216  -7.467  -7.571
  536   1HZ   LYS  51          1HZ       LYS  51  -4.420  -4.987  -8.591
  537   2HZ   LYS  51          2HZ       LYS  51  -5.991  -5.272  -9.186
  538   3HZ   LYS  51          3HZ       LYS  51  -5.671  -5.313  -7.507
  539    QB   LYS  51           QB       LYS  51  -3.240  -5.329 -10.927
  540    QG   LYS  51           QG       LYS  51  -3.120  -7.718 -10.778
  541    QD   LYS  51           QD       LYS  51  -3.081  -7.420  -8.479
  542    QE   LYS  51           QE       LYS  51  -5.435  -7.464  -8.420
  543    QZ   LYS  51           QZ       LYS  51  -5.361  -5.190  -8.428
  544    H    ALA  52           HN       ALA  52  -4.533  -3.809 -13.137
  545    HA   ALA  52           HA       ALA  52  -6.160  -1.934 -11.467
  546   1HB   ALA  52          2HB       ALA  52  -4.128  -1.411 -13.664
  547   2HB   ALA  52          3HB       ALA  52  -4.931  -0.168 -12.714
  548   3HB   ALA  52          1HB       ALA  52  -3.828  -1.292 -11.935
  549    QB   ALA  52           QB       ALA  52  -4.296  -0.957 -12.771
  550    H    GLY  53           HN       GLY  53  -5.959  -3.270 -14.644
  551   1HA   GLY  53          1HA       GLY  53  -7.535  -3.411 -16.365
  552   2HA   GLY  53          2HA       GLY  53  -8.692  -2.624 -15.294
  553    QA   GLY  53           QA       GLY  53  -8.114  -3.017 -15.830
  554    H    LYS  54           HN       LYS  54  -5.534  -1.551 -16.652
  555    HA   LYS  54           HA       LYS  54  -7.022   0.623 -18.024
  556   1HB   LYS  54          2HB       LYS  54  -4.627   1.219 -16.261
  557   2HB   LYS  54          3HB       LYS  54  -5.714   2.387 -17.013
  558   1HG   LYS  54          2HG       LYS  54  -7.599   1.400 -15.693
  559   2HG   LYS  54          3HG       LYS  54  -6.442   0.357 -14.875
  560   1HD   LYS  54          2HD       LYS  54  -5.206   2.520 -14.204
  561   2HD   LYS  54          3HD       LYS  54  -6.673   3.367 -14.689
  562   1HE   LYS  54          2HE       LYS  54  -6.352   1.260 -12.529
  563   2HE   LYS  54          3HE       LYS  54  -6.954   2.903 -12.356
  564   1HZ   LYS  54          3HZ       LYS  54  -8.584   1.674 -14.222
  565   2HZ   LYS  54          1HZ       LYS  54  -8.358   0.523 -12.998
  566   3HZ   LYS  54          2HZ       LYS  54  -8.988   2.064 -12.618
  567    QB   LYS  54           QB       LYS  54  -5.170   1.803 -16.637
  568    QG   LYS  54           QG       LYS  54  -7.021   0.878 -15.284
  569    QD   LYS  54           QD       LYS  54  -5.939   2.944 -14.446
  570    QE   LYS  54           QE       LYS  54  -6.653   2.081 -12.442
  571    QZ   LYS  54           QZ       LYS  54  -8.643   1.420 -13.279
  572    HA   PRO  55           HA       PRO  55  -3.908   0.043 -21.112
  573   1HB   PRO  55          2HB       PRO  55  -4.213   2.568 -22.377
  574   2HB   PRO  55          3HB       PRO  55  -5.117   1.096 -22.735
  575   1HG   PRO  55          2HG       PRO  55  -6.088   3.512 -21.478
  576   2HG   PRO  55          3HG       PRO  55  -7.003   2.051 -21.860
  577   1HD   PRO  55          2HD       PRO  55  -5.971   2.940 -19.256
  578   2HD   PRO  55          3HD       PRO  55  -7.133   1.651 -19.618
  579    QB   PRO  55           QB       PRO  55  -4.665   1.832 -22.556
  580    QG   PRO  55           QG       PRO  55  -6.545   2.782 -21.669
  581    QD   PRO  55           QD       PRO  55  -6.552   2.296 -19.437
  582    H    VAL  56           HN       VAL  56  -2.919   0.930 -18.660
  583    HA   VAL  56           HA       VAL  56  -0.493   2.382 -19.520
  584    HB   VAL  56           HB       VAL  56  -1.849   4.173 -18.583
  585   1HG1  VAL  56          1HG1      VAL  56  -3.437   2.784 -17.307
  586   2HG1  VAL  56          2HG1      VAL  56  -2.193   2.430 -16.116
  587   3HG1  VAL  56          3HG1      VAL  56  -2.787   4.079 -16.313
  588   1HG2  VAL  56          2HG2      VAL  56   0.539   4.185 -17.972
  589   2HG2  VAL  56          3HG2      VAL  56  -0.438   4.868 -16.677
  590   3HG2  VAL  56          1HG2      VAL  56   0.191   3.231 -16.536
  591    QG1  VAL  56           QG1      VAL  56  -2.806   3.097 -16.579
  592    QG2  VAL  56           QG2      VAL  56   0.097   4.095 -17.061
  593    QQG  VAL  56           QQG      VAL  56  -1.354   3.596 -16.820
  594    H    GLU  57           HN       GLU  57   1.224   1.219 -18.819
  595    HA   GLU  57           HA       GLU  57   0.743  -0.766 -16.632
  596   1HB   GLU  57          2HB       GLU  57   2.573  -2.073 -18.038
  597   2HB   GLU  57          3HB       GLU  57   0.884  -2.138 -18.492
  598   1HG   GLU  57          2HG       GLU  57   2.215  -1.716 -20.501
  599   2HG   GLU  57          3HG       GLU  57   1.272  -0.286 -20.145
  600    QB   GLU  57           QB       GLU  57   1.729  -2.106 -18.265
  601    QG   GLU  57           QG       GLU  57   1.744  -1.001 -20.323
  602    H    THR  58           HN       THR  58   1.692   1.326 -15.465
  603    HA   THR  58           HA       THR  58   4.669   1.148 -15.605
  604    HB   THR  58           HB       THR  58   4.655   3.385 -14.489
  605    HG1  THR  58          1HG       THR  58   2.881   3.744 -13.389
  606   1HG2  THR  58          3HG2      THR  58   4.297   3.254 -17.021
  607   2HG2  THR  58          1HG2      THR  58   2.565   3.248 -16.715
  608   3HG2  THR  58          2HG2      THR  58   3.528   4.654 -16.279
  609    QG2  THR  58           QG2      THR  58   3.463   3.719 -16.672
  610    H    VAL  59           HN       VAL  59   5.836   1.482 -13.548
  611    HA   VAL  59           HA       VAL  59   4.602  -0.107 -11.330
  612    HB   VAL  59           HB       VAL  59   7.515   0.175 -12.214
  613   1HG1  VAL  59          3HG1      VAL  59   7.322  -0.077  -9.731
  614   2HG1  VAL  59          1HG1      VAL  59   6.421  -1.572  -9.979
  615   3HG1  VAL  59          2HG1      VAL  59   8.097  -1.455 -10.499
  616   1HG2  VAL  59          3HG2      VAL  59   5.615  -2.202 -12.262
  617   2HG2  VAL  59          1HG2      VAL  59   6.171  -1.291 -13.666
  618   3HG2  VAL  59          2HG2      VAL  59   7.311  -2.248 -12.728
  619    QG1  VAL  59           QG1      VAL  59   7.280  -1.035 -10.070
  620    QG2  VAL  59           QG2      VAL  59   6.366  -1.914 -12.885
  621    QQG  VAL  59           QQG      VAL  59   6.823  -1.474 -11.477
  622    HA   PRO  60           HA       PRO  60   4.859  -0.509  -9.395
  623   1HB   PRO  60          2HB       PRO  60   4.402   0.276  -6.722
  624   2HB   PRO  60          3HB       PRO  60   5.844  -0.539  -7.332
  625   1HG   PRO  60          2HG       PRO  60   5.645   2.168  -6.358
  626   2HG   PRO  60          3HG       PRO  60   7.080   1.358  -6.992
  627   1HD   PRO  60          2HD       PRO  60   5.285   3.301  -8.340
  628   2HD   PRO  60          3HD       PRO  60   6.940   2.817  -8.769
  629    QB   PRO  60           QB       PRO  60   5.123  -0.131  -7.027
  630    QG   PRO  60           QG       PRO  60   6.363   1.763  -6.675
  631    QD   PRO  60           QD       PRO  60   6.112   3.059  -8.554
  632    H    GLN  61           HN       GLN  61   2.798  -1.088  -8.055
  633    HA   GLN  61           HA       GLN  61   0.669   0.978  -8.535
  634   1HB   GLN  61          2HB       GLN  61   0.485  -1.981  -9.223
  635   2HB   GLN  61          3HB       GLN  61  -0.811  -0.808  -9.417
  636   1HG   GLN  61          2HG       GLN  61   1.873  -0.455 -10.804
  637   2HG   GLN  61          3HG       GLN  61   0.581  -1.396 -11.524
  638   1HE2  GLN  61          2HE2      GLN  61   0.480   2.413 -12.306
  639   2HE2  GLN  61          1HE2      GLN  61   1.846   1.431 -12.088
  640    QB   GLN  61           QB       GLN  61  -0.163  -1.395  -9.320
  641    QG   GLN  61           QG       GLN  61   1.227  -0.925 -11.164
  642    QE2  GLN  61           QE2      GLN  61   1.163   1.922 -12.197
  643    H    ILE  62           HN       ILE  62  -0.916   1.063  -6.927
  644    HA   ILE  62           HA       ILE  62  -0.640  -0.947  -4.707
  645    HB   ILE  62           HB       ILE  62  -1.360   1.997  -4.610
  646   1HG1  ILE  62          2HG1      ILE  62   0.580   1.759  -2.814
  647   2HG1  ILE  62          3HG1      ILE  62   0.970   0.320  -3.747
  648   1HG2  ILE  62          1HG2      ILE  62  -1.506  -0.082  -2.393
  649   2HG2  ILE  62          2HG2      ILE  62  -1.587   1.652  -2.129
  650   3HG2  ILE  62          3HG2      ILE  62  -2.850   0.846  -3.042
  651   1HD1  ILE  62          3HD1      ILE  62   0.659   3.099  -4.886
  652   2HD1  ILE  62          1HD1      ILE  62   2.193   2.289  -4.584
  653   3HD1  ILE  62          2HD1      ILE  62   1.088   1.664  -5.803
  654    QG1  ILE  62           QG1      ILE  62   0.775   1.040  -3.281
  655    QG2  ILE  62           QG2      ILE  62  -1.981   0.805  -2.521
  656    QD1  ILE  62           QD1      ILE  62   1.313   2.351  -5.091
  657    H    PHE  63           HN       PHE  63  -2.335  -1.795  -3.818
  658    HA   PHE  63           HA       PHE  63  -5.068  -1.130  -4.845
  659   1HB   PHE  63          2HB       PHE  63  -3.809  -3.870  -4.386
  660   2HB   PHE  63          3HB       PHE  63  -5.539  -3.620  -4.625
  661    HD1  PHE  63          2HD       PHE  63  -2.212  -3.375  -6.241
  662    HD2  PHE  63          1HD       PHE  63  -6.418  -2.970  -6.763
  663    HE1  PHE  63          2HE       PHE  63  -1.881  -3.100  -8.657
  664    HE2  PHE  63          1HE       PHE  63  -6.087  -2.703  -9.173
  665    HZ   PHE  63           HZ       PHE  63  -3.822  -2.740 -10.130
  666    QB   PHE  63           QB       PHE  63  -4.674  -3.745  -4.506
  667    QR   PHE  63           QR       PHE  63  -4.150  -3.037  -7.709
  668    H    VAL  64           HN       VAL  64  -6.620  -0.981  -3.253
  669    HA   VAL  64           HA       VAL  64  -5.740  -1.866  -0.521
  670    HB   VAL  64           HB       VAL  64  -7.272   0.679  -1.184
  671   1HG1  VAL  64          3HG1      VAL  64  -6.646  -0.657   1.471
  672   2HG1  VAL  64          1HG1      VAL  64  -7.229   0.981   1.314
  673   3HG1  VAL  64          2HG1      VAL  64  -8.252  -0.356   0.813
  674   1HG2  VAL  64          1HG2      VAL  64  -4.720   0.716  -1.337
  675   2HG2  VAL  64          2HG2      VAL  64  -5.390   1.797  -0.116
  676   3HG2  VAL  64          3HG2      VAL  64  -4.689   0.258   0.360
  677    QG1  VAL  64           QG1      VAL  64  -7.376  -0.011   1.199
  678    QG2  VAL  64           QG2      VAL  64  -4.933   0.923  -0.364
  679    QQG  VAL  64           QQG      VAL  64  -6.154   0.456   0.417
  680    H    ASP  65           HN       ASP  65  -7.104  -2.966   0.639
  681    HA   ASP  65           HA       ASP  65  -8.826  -4.419   1.116
  682   1HB   ASP  65          2HB       ASP  65 -10.332  -2.031   0.002
  683   2HB   ASP  65          3HB       ASP  65 -11.148  -3.392   0.762
  684    QB   ASP  65           QB       ASP  65 -10.740  -2.712   0.382
  685    H    GLN  66           HN       GLN  66 -10.337  -3.059  -1.715
  686    HA   GLN  66           HA       GLN  66  -9.924  -5.602  -3.145
  687   1HB   GLN  66          2HB       GLN  66 -12.109  -5.701  -1.977
  688   2HB   GLN  66          3HB       GLN  66 -12.597  -4.199  -2.759
  689   1HG   GLN  66          2HG       GLN  66 -12.612  -5.211  -4.920
  690   2HG   GLN  66          3HG       GLN  66 -11.725  -6.614  -4.339
  691   1HE2  GLN  66          2HE2      GLN  66 -14.713  -8.310  -3.582
  692   2HE2  GLN  66          1HE2      GLN  66 -13.077  -8.397  -4.019
  693    QB   GLN  66           QB       GLN  66 -12.353  -4.950  -2.368
  694    QG   GLN  66           QG       GLN  66 -12.169  -5.912  -4.630
  695    QE2  GLN  66           QE2      GLN  66 -13.895  -8.354  -3.801
  696    H    GLN  67           HN       GLN  67 -10.172  -2.151  -3.284
  697    HA   GLN  67           HA       GLN  67 -10.519  -2.259  -6.216
  698   1HB   GLN  67          2HB       GLN  67 -10.924   0.198  -5.957
  699   2HB   GLN  67          3HB       GLN  67 -12.106  -0.800  -5.139
  700   1HG   GLN  67          2HG       GLN  67 -11.123  -0.349  -2.997
  701   2HG   GLN  67          3HG       GLN  67  -9.668   0.315  -3.713
  702   1HE2  GLN  67          2HE2      GLN  67 -12.704   2.843  -4.593
  703   2HE2  GLN  67          1HE2      GLN  67 -12.661   1.274  -5.240
  704    QB   GLN  67           QB       GLN  67 -11.515  -0.301  -5.548
  705    QG   GLN  67           QG       GLN  67 -10.395  -0.017  -3.355
  706    QE2  GLN  67           QE2      GLN  67 -12.682   2.058  -4.917
  707    H    HIS  68           HN       HIS  68  -9.379  -0.754  -7.483
  708    HA   HIS  68           HA       HIS  68  -6.490  -0.796  -6.993
  709   1HB   HIS  68          2HB       HIS  68  -7.327  -1.177  -9.258
  710   2HB   HIS  68          3HB       HIS  68  -8.250   0.294  -9.198
  711    HD1  HIS  68           HD1      HIS  68  -7.156   2.300  -9.990
  712    HD2  HIS  68           HD2      HIS  68  -4.319  -0.574  -9.257
  713    HE1  HIS  68           HE1      HIS  68  -4.984   3.183 -10.915
  714    QB   HIS  68           QB       HIS  68  -7.788  -0.442  -9.228
  715    H    ILE  69           HN       ILE  69  -5.293   0.981  -6.364
  716    HA   ILE  69           HA       ILE  69  -6.928   3.416  -5.753
  717    HB   ILE  69           HB       ILE  69  -4.325   2.536  -4.457
  718   1HG1  ILE  69          2HG1      ILE  69  -6.060   0.829  -4.050
  719   2HG1  ILE  69          3HG1      ILE  69  -5.755   1.746  -2.595
  720   1HG2  ILE  69          2HG2      ILE  69  -6.462   4.549  -3.688
  721   2HG2  ILE  69          3HG2      ILE  69  -5.128   4.076  -2.649
  722   3HG2  ILE  69          1HG2      ILE  69  -4.813   4.913  -4.170
  723   1HD1  ILE  69          2HD1      ILE  69  -7.759   3.128  -3.017
  724   2HD1  ILE  69          3HD1      ILE  69  -8.085   2.210  -4.481
  725   3HD1  ILE  69          1HD1      ILE  69  -8.174   1.431  -2.913
  726    QG1  ILE  69           QG1      ILE  69  -5.907   1.288  -3.322
  727    QG2  ILE  69           QG2      ILE  69  -5.468   4.512  -3.502
  728    QD1  ILE  69           QD1      ILE  69  -8.006   2.257  -3.470
  729    H    GLY  70           HN       GLY  70  -3.659   2.415  -6.785
  730   1HA   GLY  70          1HA       GLY  70  -3.148   3.724  -9.009
  731   2HA   GLY  70          2HA       GLY  70  -3.309   5.138  -7.978
  732    QA   GLY  70           QA       GLY  70  -3.228   4.431  -8.493
  733    H    GLY  71           HN       GLY  71  -1.216   5.876  -7.942
  734   1HA   GLY  71          1HA       GLY  71   0.979   3.923  -7.373
  735   2HA   GLY  71          2HA       GLY  71   1.196   5.567  -7.968
  736    QA   GLY  71           QA       GLY  71   1.088   4.745  -7.670
  737    OH   TYR  72           OH       TYR  72   4.929   8.871   1.171
  738    H    TYR  72           HN       TYR  72   2.803   5.603  -6.087
  739    HA   TYR  72           HA       TYR  72   1.919   5.402  -3.379
  740   1HB   TYR  72          2HB       TYR  72   4.300   5.442  -3.852
  741   2HB   TYR  72          3HB       TYR  72   4.160   7.015  -4.624
  742    HD1  TYR  72           HD2      TYR  72   2.685   5.871  -1.375
  743    HD2  TYR  72           HD1      TYR  72   5.436   8.476  -3.308
  744    HE1  TYR  72           HE2      TYR  72   3.206   6.923   0.778
  745    HE2  TYR  72           HE1      TYR  72   5.952   9.531  -1.164
  746    HH   TYR  72           HH       TYR  72   4.731   9.815   1.105
  747    QB   TYR  72           QB       TYR  72   4.230   6.229  -4.238
  748    QR   TYR  72           QR       TYR  72   4.319   7.700  -1.267
  749    H    THR  73           HN       THR  73   1.425   7.792  -5.787
  750    HA   THR  73           HA       THR  73   0.814   9.998  -3.986
  751    HB   THR  73           HB       THR  73  -0.117  10.958  -6.251
  752    HG1  THR  73          1HG       THR  73  -0.501   9.326  -7.598
  753   1HG2  THR  73          1HG2      THR  73   2.351  11.184  -5.587
  754   2HG2  THR  73          2HG2      THR  73   2.649   9.656  -6.409
  755   3HG2  THR  73          3HG2      THR  73   2.099  11.060  -7.321
  756    QG2  THR  73           QG2      THR  73   2.366  10.633  -6.439
  757    H    ASP  74           HN       ASP  74  -1.278   8.266  -6.282
  758    HA   ASP  74           HA       ASP  74  -3.742   9.137  -5.205
  759   1HB   ASP  74          2HB       ASP  74  -3.341   6.363  -6.339
  760   2HB   ASP  74          3HB       ASP  74  -4.758   7.400  -6.482
  761    QB   ASP  74           QB       ASP  74  -4.050   6.882  -6.411
  762    H    PHE  75           HN       PHE  75  -1.746   6.338  -4.418
  763    HA   PHE  75           HA       PHE  75  -3.493   5.232  -2.445
  764   1HB   PHE  75          2HB       PHE  75  -1.602   3.930  -3.262
  765   2HB   PHE  75          3HB       PHE  75  -0.467   5.153  -2.707
  766    HD1  PHE  75          2HD       PHE  75  -3.411   3.454  -1.042
  767    HD2  PHE  75          1HD       PHE  75   0.754   4.353  -0.916
  768    HE1  PHE  75          2HE       PHE  75  -3.218   2.289   1.115
  769    HE2  PHE  75          1HE       PHE  75   0.947   3.171   1.218
  770    HZ   PHE  75           HZ       PHE  75  -1.043   2.153   2.249
  771    QB   PHE  75           QB       PHE  75  -1.035   4.541  -2.984
  772    QR   PHE  75           QR       PHE  75  -1.232   3.317   0.094
  773    H    ALA  76           HN       ALA  76  -0.702   7.445  -2.104
  774    HA   ALA  76           HA       ALA  76  -0.911   7.963   0.635
  775   1HB   ALA  76          3HB       ALA  76  -0.262   9.923  -1.604
  776   2HB   ALA  76          1HB       ALA  76   0.084  10.208   0.097
  777   3HB   ALA  76          2HB       ALA  76   0.884   8.893  -0.754
  778    QB   ALA  76           QB       ALA  76   0.236   9.675  -0.754
  779    H    ALA  77           HN       ALA  77  -2.558   9.818  -1.918
  780    HA   ALA  77           HA       ALA  77  -4.090  11.451  -0.117
  781   1HB   ALA  77          2HB       ALA  77  -4.812  10.559  -2.946
  782   2HB   ALA  77          3HB       ALA  77  -5.565  11.889  -2.074
  783   3HB   ALA  77          1HB       ALA  77  -3.870  11.988  -2.536
  784    QB   ALA  77           QB       ALA  77  -4.749  11.479  -2.519
  785    CH2  TRP  78           CH2      TRP  78  -8.712   2.761   1.496
  786    H    TRP  78           HN       TRP  78  -5.172   8.641  -2.016
  787    HA   TRP  78           HA       TRP  78  -7.725   8.271  -1.027
  788   1HB   TRP  78          2HB       TRP  78  -6.627   6.823  -2.704
  789   2HB   TRP  78          3HB       TRP  78  -5.656   6.109  -1.451
  790    HD1  TRP  78           HD1      TRP  78  -9.011   5.753  -3.141
  791    HE1  TRP  78           HE1      TRP  78 -10.309   3.864  -2.126
  792    HE3  TRP  78           HE3      TRP  78  -6.176   4.935   0.905
  793    HZ2  TRP  78           HZ2      TRP  78 -10.324   2.360   0.172
  794    HZ3  TRP  78           HZ3      TRP  78  -6.965   3.300   2.584
  795    HH2  TRP  78           HH2      TRP  78  -9.041   2.043   2.236
  796    QB   TRP  78           QB       TRP  78  -6.141   6.466  -2.077
  797    H    VAL  79           HN       VAL  79  -4.716   7.092   0.416
  798    HA   VAL  79           HA       VAL  79  -5.720   5.815   2.700
  799    HB   VAL  79           HB       VAL  79  -3.205   7.367   2.086
  800   1HG1  VAL  79          3HG1      VAL  79  -3.804   6.043   4.747
  801   2HG1  VAL  79          1HG1      VAL  79  -2.245   6.684   4.252
  802   3HG1  VAL  79          2HG1      VAL  79  -3.602   7.768   4.502
  803   1HG2  VAL  79          3HG2      VAL  79  -3.547   5.105   1.156
  804   2HG2  VAL  79          1HG2      VAL  79  -2.214   5.113   2.303
  805   3HG2  VAL  79          2HG2      VAL  79  -3.780   4.466   2.774
  806    QG1  VAL  79           QG1      VAL  79  -3.217   6.832   4.500
  807    QG2  VAL  79           QG2      VAL  79  -3.180   4.894   2.078
  808    QQG  VAL  79           QQG      VAL  79  -3.199   5.863   3.289
  809    H    LYS  80           HN       LYS  80  -4.619   9.187   2.567
  810    HA   LYS  80           HA       LYS  80  -5.468   9.955   5.128
  811   1HB   LYS  80          2HB       LYS  80  -4.187  11.239   3.200
  812   2HB   LYS  80          3HB       LYS  80  -5.787  11.816   2.770
  813   1HG   LYS  80          2HG       LYS  80  -4.605  12.078   5.557
  814   2HG   LYS  80          3HG       LYS  80  -4.479  13.327   4.331
  815   1HD   LYS  80          2HD       LYS  80  -6.494  14.117   4.935
  816   2HD   LYS  80          3HD       LYS  80  -7.233  12.620   4.417
  817   1HE   LYS  80          2HE       LYS  80  -6.117  11.981   6.916
  818   2HE   LYS  80          3HE       LYS  80  -6.724  13.615   7.137
  819   1HZ   LYS  80          1HZ       LYS  80  -8.673  12.158   5.753
  820   2HZ   LYS  80          2HZ       LYS  80  -8.147  11.213   7.026
  821   3HZ   LYS  80          3HZ       LYS  80  -8.775  12.755   7.338
  822    QB   LYS  80           QB       LYS  80  -4.987  11.527   2.985
  823    QG   LYS  80           QG       LYS  80  -4.542  12.702   4.944
  824    QD   LYS  80           QD       LYS  80  -6.864  13.368   4.676
  825    QE   LYS  80           QE       LYS  80  -6.421  12.798   7.026
  826    QZ   LYS  80           QZ       LYS  80  -8.532  12.042   6.706
  827    H    GLU  81           HN       GLU  81  -7.264  10.159   2.121
  828    HA   GLU  81           HA       GLU  81  -9.632  11.311   3.210
  829   1HB   GLU  81          2HB       GLU  81  -9.414   9.663   0.664
  830   2HB   GLU  81          3HB       GLU  81 -10.627  10.880   1.022
  831   1HG   GLU  81          2HG       GLU  81  -8.920  12.646   1.004
  832   2HG   GLU  81          3HG       GLU  81  -7.654  11.457   0.738
  833    QB   GLU  81           QB       GLU  81 -10.021  10.271   0.843
  834    QG   GLU  81           QG       GLU  81  -8.287  12.052   0.871
  835    H    ASN  82           HN       ASN  82  -8.953   7.874   2.571
  836    HA   ASN  82           HA       ASN  82 -11.683   7.327   3.641
  837   1HB   ASN  82          2HB       ASN  82  -9.773   5.526   2.125
  838   2HB   ASN  82          3HB       ASN  82 -11.407   5.089   2.635
  839   1HD2  ASN  82          2HD2      ASN  82 -10.883   7.771  -0.412
  840   2HD2  ASN  82          1HD2      ASN  82  -9.577   7.347   0.594
  841    QB   ASN  82           QB       ASN  82 -10.590   5.308   2.380
  842    QD2  ASN  82           QD2      ASN  82 -10.230   7.559   0.091
  843    H    LEU  83           HN       LEU  83  -8.385   6.969   4.632
  844    HA   LEU  83           HA       LEU  83  -9.246   4.906   6.594
  845   1HB   LEU  83          2HB       LEU  83  -6.483   6.051   6.081
  846   2HB   LEU  83          3HB       LEU  83  -6.855   4.725   7.174
  847    HG   LEU  83           HG       LEU  83  -7.261   4.750   4.166
  848   1HD1  LEU  83          3HD1      LEU  83  -5.397   3.189   5.982
  849   2HD1  LEU  83          1HD1      LEU  83  -5.564   2.918   4.249
  850   3HD1  LEU  83          2HD1      LEU  83  -4.938   4.443   4.849
  851   1HD2  LEU  83          1HD2      LEU  83  -7.874   2.572   6.202
  852   2HD2  LEU  83          2HD2      LEU  83  -9.060   3.465   5.254
  853   3HD2  LEU  83          3HD2      LEU  83  -7.949   2.367   4.454
  854    QB   LEU  83           QB       LEU  83  -6.669   5.388   6.627
  855    QD1  LEU  83           QD1      LEU  83  -5.300   3.517   5.027
  856    QD2  LEU  83           QD2      LEU  83  -8.294   2.801   5.303
  857    QQD  LEU  83           QQD      LEU  83  -6.797   3.159   5.165
  858    H    ASP  84           HN       ASP  84  -8.593   8.301   6.367
  859    HA   ASP  84           HA       ASP  84  -9.099   8.423   9.313
  860   1HB   ASP  84          2HB       ASP  84  -6.869   9.908   7.871
  861   2HB   ASP  84          3HB       ASP  84  -7.303  10.123   9.562
  862    QB   ASP  84           QB       ASP  84  -7.086  10.016   8.717
  863    H    ALA  85           HN       ALA  85 -10.765   8.987   6.944
  864    HA   ALA  85           HA       ALA  85 -12.261  10.628   6.197
  865   1HB   ALA  85          3HB       ALA  85 -11.761  11.687   9.009
  866   2HB   ALA  85          1HB       ALA  85 -13.096  12.173   7.971
  867   3HB   ALA  85          2HB       ALA  85 -12.998  10.515   8.553
  868    QB   ALA  85           QB       ALA  85 -12.618  11.458   8.511
   
  Start of MODEL          15
 Raw file had 868 H/Q atoms
  Start of MODEL   15
    1    H    MET   1           HN       MET   1  -8.564  -1.172   6.788
    2    HA   MET   1           HA       MET   1  -9.192  -3.925   6.618
    3   1HB   MET   1          2HB       MET   1  -9.529  -3.474   4.236
    4   2HB   MET   1          3HB       MET   1 -10.128  -2.100   5.149
    5   1HG   MET   1          2HG       MET   1  -7.558  -2.334   3.589
    6   2HG   MET   1          3HG       MET   1  -8.851  -1.190   3.359
    7   1HE   MET   1          1HE       MET   1  -9.669   0.164   5.276
    8   2HE   MET   1          2HE       MET   1  -8.632   1.086   6.362
    9   3HE   MET   1          3HE       MET   1  -8.669   1.467   4.638
   10    QB   MET   1           QB       MET   1  -9.829  -2.787   4.692
   11    QG   MET   1           QG       MET   1  -8.204  -1.762   3.474
   12    QE   MET   1           QE       MET   1  -8.990   0.905   5.425
   13    H    GLN   2           HN       GLN   2  -7.972  -4.544   4.037
   14    HA   GLN   2           HA       GLN   2  -5.233  -5.258   4.963
   15   1HB   GLN   2          2HB       GLN   2  -6.963  -7.044   4.332
   16   2HB   GLN   2          3HB       GLN   2  -6.869  -6.425   2.690
   17   1HG   GLN   2          2HG       GLN   2  -4.365  -6.858   2.765
   18   2HG   GLN   2          3HG       GLN   2  -4.622  -7.635   4.323
   19   1HE2  GLN   2          2HE2      GLN   2  -6.454  -9.459   1.136
   20   2HE2  GLN   2          1HE2      GLN   2  -6.511  -7.768   1.249
   21    QB   GLN   2           QB       GLN   2  -6.916  -6.735   3.511
   22    QG   GLN   2           QG       GLN   2  -4.494  -7.247   3.544
   23    QE2  GLN   2           QE2      GLN   2  -6.482  -8.614   1.192
   24    H    THR   3           HN       THR   3  -3.490  -5.025   3.243
   25    HA   THR   3           HA       THR   3  -4.270  -3.470   0.845
   26    HB   THR   3           HB       THR   3  -2.377  -2.369   2.978
   27    HG1  THR   3          1HG       THR   3  -4.918  -2.230   2.737
   28   1HG2  THR   3          1HG2      THR   3  -3.147  -1.202   0.259
   29   2HG2  THR   3          2HG2      THR   3  -2.128  -0.431   1.464
   30   3HG2  THR   3          3HG2      THR   3  -1.557  -1.864   0.623
   31    QG2  THR   3           QG2      THR   3  -2.277  -1.166   0.782
   32    H    VAL   4           HN       VAL   4  -2.691  -3.525  -0.852
   33    HA   VAL   4           HA       VAL   4  -0.384  -5.396  -0.353
   34    HB   VAL   4           HB       VAL   4  -2.080  -5.475  -2.858
   35   1HG1  VAL   4          2HG1      VAL   4  -0.105  -7.408  -1.591
   36   2HG1  VAL   4          3HG1      VAL   4  -0.984  -7.696  -3.089
   37   3HG1  VAL   4          1HG1      VAL   4   0.202  -6.402  -3.004
   38   1HG2  VAL   4          2HG2      VAL   4  -2.352  -7.230  -0.392
   39   2HG2  VAL   4          3HG2      VAL   4  -3.554  -6.078  -0.969
   40   3HG2  VAL   4          1HG2      VAL   4  -3.167  -7.502  -1.928
   41    QG1  VAL   4           QG1      VAL   4  -0.296  -7.169  -2.561
   42    QG2  VAL   4           QG2      VAL   4  -3.024  -6.937  -1.096
   43    QQG  VAL   4           QQG      VAL   4  -1.660  -7.053  -1.829
   44    H    ILE   5           HN       ILE   5   1.480  -4.756  -1.179
   45    HA   ILE   5           HA       ILE   5   1.440  -2.487  -3.161
   46    HB   ILE   5           HB       ILE   5   3.676  -3.253  -1.241
   47   1HG1  ILE   5          2HG1      ILE   5   1.602  -2.401  -0.077
   48   2HG1  ILE   5          3HG1      ILE   5   3.018  -1.390   0.154
   49   1HG2  ILE   5          1HG2      ILE   5   3.259  -0.845  -3.061
   50   2HG2  ILE   5          2HG2      ILE   5   4.544  -0.971  -1.861
   51   3HG2  ILE   5          3HG2      ILE   5   4.499  -2.084  -3.227
   52   1HD1  ILE   5          2HD1      ILE   5   0.814  -0.876  -1.863
   53   2HD1  ILE   5          3HD1      ILE   5   1.020  -0.018  -0.342
   54   3HD1  ILE   5          1HD1      ILE   5   2.218   0.147  -1.615
   55    QG1  ILE   5           QG1      ILE   5   2.310  -1.896   0.039
   56    QG2  ILE   5           QG2      ILE   5   4.101  -1.300  -2.716
   57    QD1  ILE   5           QD1      ILE   5   1.351  -0.249  -1.273
   58    H    PHE   6           HN       PHE   6   2.076  -3.122  -5.181
   59    HA   PHE   6           HA       PHE   6   3.593  -5.677  -5.440
   60   1HB   PHE   6          2HB       PHE   6   1.990  -4.103  -7.497
   61   2HB   PHE   6          3HB       PHE   6   2.843  -5.601  -7.828
   62    HD1  PHE   6          2HD       PHE   6   0.160  -4.200  -5.609
   63    HD2  PHE   6          1HD       PHE   6   1.706  -7.652  -7.569
   64    HE1  PHE   6          2HE       PHE   6  -1.855  -5.455  -5.012
   65    HE2  PHE   6          1HE       PHE   6  -0.299  -8.908  -6.940
   66    HZ   PHE   6           HZ       PHE   6  -2.087  -7.810  -5.661
   67    QB   PHE   6           QB       PHE   6   2.417  -4.852  -7.662
   68    QR   PHE   6           QR       PHE   6  -0.072  -6.554  -6.283
   69    H    GLY   7           HN       GLY   7   5.738  -5.104  -5.372
   70   1HA   GLY   7          1HA       GLY   7   6.618  -3.170  -7.473
   71   2HA   GLY   7          2HA       GLY   7   7.173  -2.891  -5.840
   72    QA   GLY   7           QA       GLY   7   6.895  -3.031  -6.657
   73    NH1  ARG   8           NH1      ARG   8   8.947  -3.942 -12.889
   74    NH2  ARG   8           NH2      ARG   8  10.856  -2.908 -13.571
   75    H    ARG   8           HN       ARG   8   9.384  -3.261  -6.351
   76    HA   ARG   8           HA       ARG   8  10.053  -6.077  -7.104
   77   1HB   ARG   8          2HB       ARG   8  11.809  -3.678  -7.758
   78   2HB   ARG   8          3HB       ARG   8  11.906  -5.298  -8.435
   79   1HG   ARG   8          2HG       ARG   8   9.577  -4.900  -9.414
   80   2HG   ARG   8          3HG       ARG   8   9.751  -3.220  -8.929
   81   1HD   ARG   8          2HD       ARG   8  12.016  -3.318 -10.264
   82   2HD   ARG   8          3HD       ARG   8  11.312  -4.743 -11.026
   83    HE   ARG   8           HE       ARG   8   9.897  -2.094 -11.044
   84   1HH1  ARG   8          2HH1      ARG   8   8.336  -4.189 -12.139
   85   2HH1  ARG   8          1HH1      ARG   8   8.721  -4.212 -13.822
   86   1HH2  ARG   8          2HH2      ARG   8  11.678  -2.393 -13.327
   87   2HH2  ARG   8          1HH2      ARG   8  10.680  -3.138 -14.529
   88    QB   ARG   8           QB       ARG   8  11.857  -4.488  -8.097
   89    QG   ARG   8           QG       ARG   8   9.664  -4.060  -9.172
   90    QD   ARG   8           QD       ARG   8  11.664  -4.030 -10.645
   91    QH1  ARG   8           QH1      ARG   8   8.529  -4.200 -12.981
   92    QH2  ARG   8           QH2      ARG   8  11.179  -2.766 -13.928
   93    H    SER   9           HN       SER   9  12.987  -5.258  -6.634
   94    HA   SER   9           HA       SER   9  12.854  -5.279  -3.635
   95   1HB   SER   9          2HB       SER   9  14.960  -6.569  -5.413
   96   2HB   SER   9          3HB       SER   9  14.852  -6.684  -3.646
   97    HG   SER   9           HG       SER   9  12.455  -7.217  -4.472
   98    QB   SER   9           QB       SER   9  14.906  -6.626  -4.530
   99    H    GLY  10           HN       GLY  10  12.977  -2.901  -3.831
  100   1HA   GLY  10          1HA       GLY  10  14.777  -1.380  -2.942
  101   2HA   GLY  10          2HA       GLY  10  15.845  -2.053  -4.168
  102    QA   GLY  10           QA       GLY  10  15.311  -1.716  -3.555
  103    H    CYS  11           HN       CYS  11  12.494  -0.992  -4.441
  104    HA   CYS  11           HA       CYS  11  13.354   0.955  -6.524
  105   1HB   CYS  11          2HB       CYS  11  10.651   0.762  -6.792
  106   2HB   CYS  11          3HB       CYS  11  11.806  -0.172  -7.705
  107    QB   CYS  11           QB       CYS  11  11.228   0.295  -7.249
  108    HA   PRO  12           HA       PRO  12  12.912   3.772  -2.982
  109   1HB   PRO  12          2HB       PRO  12  12.624   5.629  -5.337
  110   2HB   PRO  12          3HB       PRO  12  13.579   5.830  -3.860
  111   1HG   PRO  12          2HG       PRO  12  14.723   5.033  -6.215
  112   2HG   PRO  12          3HG       PRO  12  15.324   4.483  -4.648
  113   1HD   PRO  12          2HD       PRO  12  13.856   2.948  -6.718
  114   2HD   PRO  12          3HD       PRO  12  14.845   2.345  -5.372
  115    QB   PRO  12           QB       PRO  12  13.101   5.730  -4.599
  116    QG   PRO  12           QG       PRO  12  15.024   4.758  -5.432
  117    QD   PRO  12           QD       PRO  12  14.350   2.647  -6.045
  118    OH   TYR  13           OH       TYR  13   3.326   6.861  -6.899
  119    H    TYR  13           HN       TYR  13  10.761   3.664  -5.741
  120    HA   TYR  13           HA       TYR  13   8.594   5.117  -4.456
  121   1HB   TYR  13          2HB       TYR  13   9.079   4.787  -6.995
  122   2HB   TYR  13          3HB       TYR  13   8.281   3.237  -6.805
  123    HD1  TYR  13           HD1      TYR  13   5.949   3.578  -5.219
  124    HD2  TYR  13           HD2      TYR  13   7.723   6.445  -7.832
  125    HE1  TYR  13           HE1      TYR  13   3.803   4.737  -5.419
  126    HE2  TYR  13           HE2      TYR  13   5.563   7.557  -8.070
  127    HH   TYR  13           HH       TYR  13   3.148   6.930  -7.847
  128    QB   TYR  13           QB       TYR  13   8.680   4.012  -6.900
  129    QR   TYR  13           QR       TYR  13   5.760   5.579  -6.635
  130    H    CYS  14           HN       CYS  14   9.027   1.637  -5.333
  131    HA   CYS  14           HA       CYS  14   6.672   0.705  -4.033
  132   1HB   CYS  14          2HB       CYS  14   7.724  -1.476  -3.951
  133   2HB   CYS  14          3HB       CYS  14   8.046  -0.728  -5.488
  134    QB   CYS  14           QB       CYS  14   7.885  -1.102  -4.720
  135    H    VAL  15           HN       VAL  15   9.912   1.310  -2.925
  136    HA   VAL  15           HA       VAL  15   9.629   0.503  -0.208
  137    HB   VAL  15           HB       VAL  15  11.352   2.710  -1.399
  138   1HG1  VAL  15          1HG1      VAL  15  11.080   2.881   1.096
  139   2HG1  VAL  15          2HG1      VAL  15  11.624   1.212   1.238
  140   3HG1  VAL  15          3HG1      VAL  15  12.721   2.445   0.630
  141   1HG2  VAL  15          1HG2      VAL  15  11.688   0.436  -2.359
  142   2HG2  VAL  15          2HG2      VAL  15  13.078   0.936  -1.404
  143   3HG2  VAL  15          3HG2      VAL  15  11.916  -0.207  -0.737
  144    QG1  VAL  15           QG1      VAL  15  11.808   2.179   0.988
  145    QG2  VAL  15           QG2      VAL  15  12.227   0.389  -1.500
  146    QQG  VAL  15           QQG      VAL  15  12.018   1.284  -0.256
  147    NH1  ARG  16           NH1      ARG  16   9.092   6.929   2.484
  148    NH2  ARG  16           NH2      ARG  16   7.418   8.427   2.854
  149    H    ARG  16           HN       ARG  16   9.329   3.743  -1.689
  150    HA   ARG  16           HA       ARG  16   8.492   5.236   0.461
  151   1HB   ARG  16          2HB       ARG  16   8.934   6.210  -1.696
  152   2HB   ARG  16          3HB       ARG  16   7.661   5.273  -2.446
  153   1HG   ARG  16          2HG       ARG  16   6.840   7.491  -2.166
  154   2HG   ARG  16          3HG       ARG  16   5.998   6.462  -1.024
  155   1HD   ARG  16          2HD       ARG  16   8.463   8.058  -0.275
  156   2HD   ARG  16          3HD       ARG  16   6.831   8.689  -0.090
  157    HE   ARG  16           HE       ARG  16   6.672   6.281   1.248
  158   1HH1  ARG  16          1HH1      ARG  16   9.406   6.112   1.987
  159   2HH1  ARG  16          2HH1      ARG  16   9.655   7.301   3.216
  160   1HH2  ARG  16          2HH2      ARG  16   6.544   8.834   2.540
  161   2HH2  ARG  16          1HH2      ARG  16   7.863   8.783   3.670
  162    QB   ARG  16           QB       ARG  16   8.298   5.742  -2.071
  163    QG   ARG  16           QG       ARG  16   6.419   6.976  -1.595
  164    QD   ARG  16           QD       ARG  16   7.647   8.373  -0.183
  165    QH1  ARG  16           QH1      ARG  16   9.531   6.706   2.602
  166    QH2  ARG  16           QH2      ARG  16   7.204   8.808   3.105
  167    H    ALA  17           HN       ALA  17   6.388   3.397  -1.733
  168    HA   ALA  17           HA       ALA  17   3.945   3.894  -0.344
  169   1HB   ALA  17          3HB       ALA  17   4.052   2.860  -2.589
  170   2HB   ALA  17          1HB       ALA  17   4.728   1.398  -1.879
  171   3HB   ALA  17          2HB       ALA  17   3.087   1.900  -1.478
  172    QB   ALA  17           QB       ALA  17   3.956   2.052  -1.982
  173    H    LYS  18           HN       LYS  18   6.348   1.289   0.041
  174    HA   LYS  18           HA       LYS  18   5.051  -0.133   2.105
  175   1HB   LYS  18          2HB       LYS  18   6.976  -1.266   1.618
  176   2HB   LYS  18          3HB       LYS  18   7.841   0.185   1.185
  177   1HG   LYS  18          2HG       LYS  18   7.294  -0.091   4.093
  178   2HG   LYS  18          3HG       LYS  18   8.351  -1.316   3.421
  179   1HD   LYS  18          2HD       LYS  18   9.876   0.328   2.536
  180   2HD   LYS  18          3HD       LYS  18   8.778   1.644   2.897
  181   1HE   LYS  18          2HE       LYS  18  10.039  -0.125   5.005
  182   2HE   LYS  18          3HE       LYS  18  10.675   1.447   4.523
  183   1HZ   LYS  18          1HZ       LYS  18   7.885   1.524   5.136
  184   2HZ   LYS  18          2HZ       LYS  18   8.814   0.984   6.455
  185   3HZ   LYS  18          3HZ       LYS  18   9.157   2.497   5.712
  186    QB   LYS  18           QB       LYS  18   7.409  -0.540   1.401
  187    QG   LYS  18           QG       LYS  18   7.823  -0.704   3.757
  188    QD   LYS  18           QD       LYS  18   9.327   0.986   2.716
  189    QE   LYS  18           QE       LYS  18  10.357   0.661   4.764
  190    QZ   LYS  18           QZ       LYS  18   8.618   1.669   5.767
  191    H    ASP  19           HN       ASP  19   7.199   2.721   2.361
  192    HA   ASP  19           HA       ASP  19   7.029   3.059   5.156
  193   1HB   ASP  19          2HB       ASP  19   7.061   5.213   3.034
  194   2HB   ASP  19          3HB       ASP  19   7.446   5.443   4.728
  195    QB   ASP  19           QB       ASP  19   7.254   5.328   3.881
  196    H    LEU  20           HN       LEU  20   4.867   4.380   2.657
  197    HA   LEU  20           HA       LEU  20   3.017   5.606   4.418
  198   1HB   LEU  20          2HB       LEU  20   2.813   5.934   2.019
  199   2HB   LEU  20          3HB       LEU  20   2.500   4.236   1.758
  200    HG   LEU  20           HG       LEU  20   0.313   4.375   2.702
  201   1HD1  LEU  20          1HD1      LEU  20   1.056   7.145   3.732
  202   2HD1  LEU  20          2HD1      LEU  20  -0.524   6.391   3.888
  203   3HD1  LEU  20          3HD1      LEU  20   0.857   5.711   4.731
  204   1HD2  LEU  20          2HD2      LEU  20   0.534   5.446   0.469
  205   2HD2  LEU  20          3HD2      LEU  20  -0.734   6.217   1.420
  206   3HD2  LEU  20          1HD2      LEU  20   0.841   6.995   1.246
  207    QB   LEU  20           QB       LEU  20   2.657   5.085   1.889
  208    QD1  LEU  20           QD1      LEU  20   0.463   6.415   4.117
  209    QD2  LEU  20           QD2      LEU  20   0.214   6.219   1.045
  210    QQD  LEU  20           QQD      LEU  20   0.338   6.317   2.581
  211    H    ALA  21           HN       ALA  21   2.740   2.308   3.045
  212    HA   ALA  21           HA       ALA  21   0.456   1.548   4.540
  213   1HB   ALA  21          3HB       ALA  21   1.393   0.141   2.716
  214   2HB   ALA  21          1HB       ALA  21   2.787  -0.236   3.727
  215   3HB   ALA  21          2HB       ALA  21   1.184  -0.792   4.188
  216    QB   ALA  21           QB       ALA  21   1.788  -0.296   3.544
  217    H    GLU  22           HN       GLU  22   3.897   1.082   5.382
  218    HA   GLU  22           HA       GLU  22   3.552  -0.114   7.892
  219   1HB   GLU  22          2HB       GLU  22   5.650   1.543   6.547
  220   2HB   GLU  22          3HB       GLU  22   5.786   1.346   8.274
  221   1HG   GLU  22          2HG       GLU  22   5.676  -1.125   8.001
  222   2HG   GLU  22          3HG       GLU  22   5.562  -0.907   6.257
  223    QB   GLU  22           QB       GLU  22   5.718   1.444   7.411
  224    QG   GLU  22           QG       GLU  22   5.619  -1.016   7.129
  225    H    LYS  23           HN       LYS  23   3.824   3.338   7.088
  226    HA   LYS  23           HA       LYS  23   3.588   4.442   9.647
  227   1HB   LYS  23          2HB       LYS  23   3.826   5.746   7.474
  228   2HB   LYS  23          3HB       LYS  23   2.103   5.508   7.220
  229   1HG   LYS  23          2HG       LYS  23   1.588   6.665   9.325
  230   2HG   LYS  23          3HG       LYS  23   3.298   6.801   9.705
  231   1HD   LYS  23          2HD       LYS  23   2.710   8.933   8.828
  232   2HD   LYS  23          3HD       LYS  23   3.534   8.115   7.507
  233   1HE   LYS  23          2HE       LYS  23   1.549   9.139   6.591
  234   2HE   LYS  23          3HE       LYS  23   1.268   7.404   6.631
  235   1HZ   LYS  23          2HZ       LYS  23   0.412   8.507   9.085
  236   2HZ   LYS  23          3HZ       LYS  23  -0.260   9.413   7.830
  237   3HZ   LYS  23          1HZ       LYS  23  -0.509   7.740   7.887
  238    QB   LYS  23           QB       LYS  23   2.965   5.627   7.347
  239    QG   LYS  23           QG       LYS  23   2.443   6.733   9.515
  240    QD   LYS  23           QD       LYS  23   3.122   8.524   8.168
  241    QE   LYS  23           QE       LYS  23   1.408   8.272   6.611
  242    QZ   LYS  23           QZ       LYS  23  -0.119   8.553   8.267
  243    H    LEU  24           HN       LEU  24   0.879   3.797   7.438
  244    HA   LEU  24           HA       LEU  24  -1.223   4.333   9.217
  245   1HB   LEU  24          2HB       LEU  24  -0.954   2.252   7.014
  246   2HB   LEU  24          3HB       LEU  24  -2.482   2.529   7.840
  247    HG   LEU  24           HG       LEU  24  -0.914   4.783   6.541
  248   1HD1  LEU  24          1HD1      LEU  24  -1.470   3.007   4.862
  249   2HD1  LEU  24          2HD1      LEU  24  -3.154   3.076   5.372
  250   3HD1  LEU  24          3HD1      LEU  24  -2.406   4.469   4.602
  251   1HD2  LEU  24          2HD2      LEU  24  -2.752   5.196   8.288
  252   2HD2  LEU  24          3HD2      LEU  24  -3.027   5.944   6.726
  253   3HD2  LEU  24          1HD2      LEU  24  -3.863   4.468   7.148
  254    QB   LEU  24           QB       LEU  24  -1.718   2.390   7.427
  255    QD1  LEU  24           QD1      LEU  24  -2.343   3.517   4.945
  256    QD2  LEU  24           QD2      LEU  24  -3.214   5.202   7.387
  257    QQD  LEU  24           QQD      LEU  24  -2.779   4.360   6.166
  258    H    SER  25           HN       SER  25   0.195   1.120   8.612
  259    HA   SER  25           HA       SER  25  -1.231  -0.388  10.448
  260   1HB   SER  25          2HB       SER  25   1.760  -0.493   9.887
  261   2HB   SER  25          3HB       SER  25   0.815  -1.801  10.635
  262    HG   SER  25           HG       SER  25  -0.617  -1.654   8.810
  263    QB   SER  25           QB       SER  25   1.287  -1.147  10.261
  264    H    ASN  26           HN       ASN  26   1.265   1.970  11.158
  265    HA   ASN  26           HA       ASN  26   1.215   1.336  14.050
  266   1HB   ASN  26          2HB       ASN  26   2.743   3.336  12.357
  267   2HB   ASN  26          3HB       ASN  26   2.790   3.377  14.116
  268   1HD2  ASN  26          2HD2      ASN  26   4.666   0.324  12.157
  269   2HD2  ASN  26          1HD2      ASN  26   3.551   1.292  11.308
  270    QB   ASN  26           QB       ASN  26   2.767   3.356  13.237
  271    QD2  ASN  26           QD2      ASN  26   4.108   0.808  11.732
  272    H    GLU  27           HN       GLU  27   0.090   3.855  11.844
  273    HA   GLU  27           HA       GLU  27  -1.143   5.330  14.101
  274   1HB   GLU  27          2HB       GLU  27  -1.541   7.082  12.470
  275   2HB   GLU  27          3HB       GLU  27   0.141   6.599  12.409
  276   1HG   GLU  27          2HG       GLU  27  -0.121   5.602  10.335
  277   2HG   GLU  27          3HG       GLU  27  -1.851   5.365  10.569
  278    QB   GLU  27           QB       GLU  27  -0.700   6.841  12.439
  279    QG   GLU  27           QG       GLU  27  -0.986   5.484  10.452
  280    NH1  ARG  28           NH1      ARG  28  -6.669   6.470  10.199
  281    NH2  ARG  28           NH2      ARG  28  -4.797   7.258   9.193
  282    H    ARG  28           HN       ARG  28  -2.142   2.766  12.897
  283    HA   ARG  28           HA       ARG  28  -4.961   3.689  12.590
  284   1HB   ARG  28          2HB       ARG  28  -3.495   2.671  10.450
  285   2HB   ARG  28          3HB       ARG  28  -4.347   1.258  11.039
  286   1HG   ARG  28          2HG       ARG  28  -6.098   2.031   9.803
  287   2HG   ARG  28          3HG       ARG  28  -6.328   3.211  11.085
  288   1HD   ARG  28          2HD       ARG  28  -4.453   3.625   8.741
  289   2HD   ARG  28          3HD       ARG  28  -6.111   4.193   8.745
  290    HE   ARG  28           HE       ARG  28  -4.144   5.162  10.803
  291   1HH1  ARG  28          2HH1      ARG  28  -7.138   5.736  10.682
  292   2HH1  ARG  28          1HH1      ARG  28  -7.163   7.332   9.992
  293   1HH2  ARG  28          2HH2      ARG  28  -3.824   7.141   8.943
  294   2HH2  ARG  28          1HH2      ARG  28  -5.279   8.113   8.955
  295    QB   ARG  28           QB       ARG  28  -3.921   1.964  10.745
  296    QG   ARG  28           QG       ARG  28  -6.213   2.621  10.444
  297    QD   ARG  28           QD       ARG  28  -5.282   3.909   8.743
  298    QH1  ARG  28           QH1      ARG  28  -7.150   6.534  10.337
  299    QH2  ARG  28           QH2      ARG  28  -4.552   7.627   8.949
  300    H    ASP  29           HN       ASP  29  -6.367   1.654  12.635
  301    HA   ASP  29           HA       ASP  29  -5.446  -0.041  14.926
  302   1HB   ASP  29          2HB       ASP  29  -7.290   1.527  15.480
  303   2HB   ASP  29          3HB       ASP  29  -8.239   0.878  14.155
  304    QB   ASP  29           QB       ASP  29  -7.764   1.203  14.817
  305    H    ASP  30           HN       ASP  30  -7.260   0.154  11.966
  306    HA   ASP  30           HA       ASP  30  -7.383  -2.809  11.737
  307   1HB   ASP  30          2HB       ASP  30  -9.277  -2.346  10.262
  308   2HB   ASP  30          3HB       ASP  30  -9.473  -1.358  11.709
  309    QB   ASP  30           QB       ASP  30  -9.375  -1.852  10.986
  310    H    PHE  31           HN       PHE  31  -5.006  -0.952  10.804
  311    HA   PHE  31           HA       PHE  31  -5.277  -1.514   7.882
  312   1HB   PHE  31          2HB       PHE  31  -4.774   0.824   8.578
  313   2HB   PHE  31          3HB       PHE  31  -3.227   0.267   9.213
  314    HD1  PHE  31          2HD       PHE  31  -5.268   0.492   6.105
  315    HD2  PHE  31          1HD       PHE  31  -1.399  -0.186   7.744
  316    HE1  PHE  31          2HE       PHE  31  -4.312   0.444   3.839
  317    HE2  PHE  31          1HE       PHE  31  -0.453  -0.228   5.500
  318    HZ   PHE  31           HZ       PHE  31  -1.901   0.102   3.535
  319    QB   PHE  31           QB       PHE  31  -4.001   0.546   8.895
  320    QR   PHE  31           QR       PHE  31  -2.858   0.131   5.797
  321    H    GLN  32           HN       GLN  32  -4.665  -3.531   7.539
  322    HA   GLN  32           HA       GLN  32  -1.918  -4.370   8.408
  323   1HB   GLN  32          2HB       GLN  32  -4.114  -6.205   7.405
  324   2HB   GLN  32          3HB       GLN  32  -2.689  -6.631   8.346
  325   1HG   GLN  32          2HG       GLN  32  -3.590  -5.430  10.301
  326   2HG   GLN  32          3HG       GLN  32  -4.987  -4.902   9.366
  327   1HE2  GLN  32          2HE2      GLN  32  -5.484  -8.225  11.295
  328   2HE2  GLN  32          1HE2      GLN  32  -4.576  -6.873  11.769
  329    QB   GLN  32           QB       GLN  32  -3.402  -6.418   7.876
  330    QG   GLN  32           QG       GLN  32  -4.289  -5.166   9.834
  331    QE2  GLN  32           QE2      GLN  32  -5.030  -7.549  11.532
  332    OH   TYR  33           OH       TYR  33   5.062  -3.197   6.556
  333    H    TYR  33           HN       TYR  33  -0.469  -4.573   6.726
  334    HA   TYR  33           HA       TYR  33  -1.569  -4.746   3.952
  335   1HB   TYR  33          2HB       TYR  33  -0.056  -3.079   3.180
  336   2HB   TYR  33          3HB       TYR  33  -0.752  -2.408   4.654
  337    HD1  TYR  33           HD1      TYR  33   0.615  -2.449   6.789
  338    HD2  TYR  33           HD2      TYR  33   2.251  -3.711   3.065
  339    HE1  TYR  33           HE1      TYR  33   2.849  -2.494   7.781
  340    HE2  TYR  33           HE2      TYR  33   4.482  -3.729   4.051
  341    HH   TYR  33           HH       TYR  33   5.714  -2.902   5.912
  342    QB   TYR  33           QB       TYR  33  -0.404  -2.744   3.917
  343    QR   TYR  33           QR       TYR  33   2.549  -3.096   5.422
  344    H    GLN  34           HN       GLN  34  -0.062  -5.615   2.412
  345    HA   GLN  34           HA       GLN  34   2.190  -7.191   3.591
  346   1HB   GLN  34          2HB       GLN  34   0.333  -8.738   3.168
  347   2HB   GLN  34          3HB       GLN  34   0.128  -8.094   1.543
  348   1HG   GLN  34          2HG       GLN  34   2.447  -8.887   0.970
  349   2HG   GLN  34          3HG       GLN  34   2.575  -9.592   2.575
  350   1HE2  GLN  34          2HE2      GLN  34  -0.526 -11.544   1.100
  351   2HE2  GLN  34          1HE2      GLN  34  -0.613 -10.038   1.877
  352    QB   GLN  34           QB       GLN  34   0.230  -8.416   2.356
  353    QG   GLN  34           QG       GLN  34   2.511  -9.240   1.772
  354    QE2  GLN  34           QE2      GLN  34  -0.570 -10.791   1.489
  355    OH   TYR  35           OH       TYR  35   8.579  -3.713  -3.592
  356    H    TYR  35           HN       TYR  35   4.006  -7.412   2.241
  357    HA   TYR  35           HA       TYR  35   3.996  -5.488  -0.044
  358   1HB   TYR  35          2HB       TYR  35   5.791  -5.196   1.700
  359   2HB   TYR  35          3HB       TYR  35   6.393  -6.805   1.298
  360    HD1  TYR  35           HD1      TYR  35   7.153  -7.245  -1.131
  361    HD2  TYR  35           HD2      TYR  35   6.355  -3.326   0.330
  362    HE1  TYR  35           HE1      TYR  35   8.263  -6.290  -3.096
  363    HE2  TYR  35           HE2      TYR  35   7.457  -2.373  -1.637
  364    HH   TYR  35           HH       TYR  35   9.216  -4.367  -3.922
  365    QB   TYR  35           QB       TYR  35   6.092  -6.000   1.499
  366    QR   TYR  35           QR       TYR  35   7.307  -4.809  -1.383
  367    H    VAL  36           HN       VAL  36   4.230  -6.218  -2.060
  368    HA   VAL  36           HA       VAL  36   4.721  -9.129  -2.446
  369    HB   VAL  36           HB       VAL  36   2.557  -7.295  -3.393
  370   1HG1  VAL  36          2HG1      VAL  36   3.758  -9.436  -5.212
  371   2HG1  VAL  36          3HG1      VAL  36   2.195  -8.677  -5.463
  372   3HG1  VAL  36          1HG1      VAL  36   3.668  -7.720  -5.562
  373   1HG2  VAL  36          2HG2      VAL  36   2.796 -10.300  -2.986
  374   2HG2  VAL  36          3HG2      VAL  36   2.178  -9.146  -1.812
  375   3HG2  VAL  36          1HG2      VAL  36   1.303  -9.433  -3.312
  376    QG1  VAL  36           QG1      VAL  36   3.207  -8.611  -5.412
  377    QG2  VAL  36           QG2      VAL  36   2.092  -9.626  -2.704
  378    QQG  VAL  36           QQG      VAL  36   2.650  -9.119  -4.058
  379    H    ASP  37           HN       ASP  37   6.109  -9.680  -3.972
  380    HA   ASP  37           HA       ASP  37   7.652  -7.504  -5.356
  381   1HB   ASP  37          2HB       ASP  37   9.014  -8.733  -3.731
  382   2HB   ASP  37          3HB       ASP  37   8.493 -10.262  -4.407
  383    QB   ASP  37           QB       ASP  37   8.753  -9.497  -4.069
  384    H    ILE  38           HN       ILE  38   7.013  -7.415  -7.359
  385    HA   ILE  38           HA       ILE  38   5.551  -9.340  -8.807
  386    HB   ILE  38           HB       ILE  38   6.047  -8.033 -10.783
  387   1HG1  ILE  38          2HG1      ILE  38   8.263  -6.777  -9.132
  388   2HG1  ILE  38          3HG1      ILE  38   8.490  -7.962 -10.409
  389   1HG2  ILE  38          2HG2      ILE  38   5.919  -6.270  -8.298
  390   2HG2  ILE  38          3HG2      ILE  38   5.492  -5.748  -9.921
  391   3HG2  ILE  38          1HG2      ILE  38   4.544  -6.989  -9.118
  392   1HD1  ILE  38          3HD1      ILE  38   7.390  -6.412 -12.028
  393   2HD1  ILE  38          1HD1      ILE  38   7.276  -5.203 -10.742
  394   3HD1  ILE  38          2HD1      ILE  38   8.857  -5.737 -11.320
  395    QG1  ILE  38           QG1      ILE  38   8.377  -7.370  -9.771
  396    QG2  ILE  38           QG2      ILE  38   5.319  -6.336  -9.112
  397    QD1  ILE  38           QD1      ILE  38   7.841  -5.784 -11.363
  398    NH1  ARG  39           NH2      ARG  39  13.388  -9.842  -6.074
  399    NH2  ARG  39           NH1      ARG  39  15.560  -9.879  -6.777
  400    H    ARG  39           HN       ARG  39   8.953  -9.102  -8.135
  401    HA   ARG  39           HA       ARG  39   9.696 -11.021 -10.229
  402   1HB   ARG  39          2HB       ARG  39  11.286  -9.275  -9.265
  403   2HB   ARG  39          3HB       ARG  39  11.327 -10.226  -7.790
  404   1HG   ARG  39          2HG       ARG  39  12.084 -12.209  -9.129
  405   2HG   ARG  39          3HG       ARG  39  12.122 -11.191 -10.560
  406   1HD   ARG  39          2HD       ARG  39  14.366 -11.158  -9.822
  407   2HD   ARG  39          3HD       ARG  39  13.706  -9.650  -9.186
  408    HE   ARG  39           HE       ARG  39  13.955 -12.123  -7.490
  409   1HH1  ARG  39          2HH2      ARG  39  12.457 -10.211  -6.145
  410   2HH1  ARG  39          1HH2      ARG  39  13.561  -9.112  -5.411
  411   1HH2  ARG  39          2HH1      ARG  39  16.251 -10.267  -7.391
  412   2HH2  ARG  39          1HH1      ARG  39  15.821  -9.174  -6.115
  413    QB   ARG  39           QB       ARG  39  11.306  -9.750  -8.528
  414    QG   ARG  39           QG       ARG  39  12.103 -11.700  -9.844
  415    QD   ARG  39           QD       ARG  39  14.036 -10.404  -9.504
  416    QH1  ARG  39           QH2      ARG  39  13.009  -9.661  -5.778
  417    QH2  ARG  39           QH1      ARG  39  16.036  -9.721  -6.753
  418    H    ALA  40           HN       ALA  40   9.879 -11.169  -6.652
  419    HA   ALA  40           HA       ALA  40  10.312 -13.846  -6.209
  420   1HB   ALA  40          2HB       ALA  40   9.895 -12.222  -4.380
  421   2HB   ALA  40          3HB       ALA  40   8.177 -12.229  -4.779
  422   3HB   ALA  40          1HB       ALA  40   8.942 -13.688  -4.166
  423    QB   ALA  40           QB       ALA  40   9.004 -12.713  -4.442
  424    H    GLU  41           HN       GLU  41   7.208 -12.428  -7.052
  425    HA   GLU  41           HA       GLU  41   5.864 -15.023  -7.126
  426   1HB   GLU  41          2HB       GLU  41   5.098 -12.164  -7.684
  427   2HB   GLU  41          3HB       GLU  41   4.012 -13.449  -8.188
  428   1HG   GLU  41          2HG       GLU  41   3.965 -14.353  -5.906
  429   2HG   GLU  41          3HG       GLU  41   5.121 -13.138  -5.377
  430    QB   GLU  41           QB       GLU  41   4.555 -12.807  -7.936
  431    QG   GLU  41           QG       GLU  41   4.543 -13.745  -5.641
  432    H    GLY  42           HN       GLY  42   6.915 -12.675  -9.602
  433   1HA   GLY  42          1HA       GLY  42   7.898 -13.501 -11.698
  434   2HA   GLY  42          2HA       GLY  42   6.902 -14.947 -11.555
  435    QA   GLY  42           QA       GLY  42   7.400 -14.224 -11.627
  436    H    ILE  43           HN       ILE  43   6.249 -11.495 -11.383
  437    HA   ILE  43           HA       ILE  43   3.922 -11.858 -13.191
  438    HB   ILE  43           HB       ILE  43   4.729  -9.552 -11.372
  439   1HG1  ILE  43          2HG1      ILE  43   2.774 -11.852 -11.032
  440   2HG1  ILE  43          3HG1      ILE  43   4.200 -11.521 -10.063
  441   1HG2  ILE  43          2HG2      ILE  43   2.118 -10.046 -12.862
  442   2HG2  ILE  43          3HG2      ILE  43   2.409  -8.737 -11.720
  443   3HG2  ILE  43          1HG2      ILE  43   3.284  -8.777 -13.229
  444   1HD1  ILE  43          2HD1      ILE  43   3.152  -9.394  -9.277
  445   2HD1  ILE  43          3HD1      ILE  43   1.704  -9.790 -10.201
  446   3HD1  ILE  43          1HD1      ILE  43   2.192 -10.807  -8.855
  447    QG1  ILE  43           QG1      ILE  43   3.487 -11.687 -10.548
  448    QG2  ILE  43           QG2      ILE  43   2.604  -9.187 -12.604
  449    QD1  ILE  43           QD1      ILE  43   2.349  -9.997  -9.445
  450    H    THR  44           HN       THR  44   3.560  -9.872 -14.644
  451    HA   THR  44           HA       THR  44   6.083  -9.276 -16.098
  452    HB   THR  44           HB       THR  44   4.624  -8.852 -18.040
  453    HG1  THR  44          1HG       THR  44   2.251  -9.491 -17.050
  454   1HG2  THR  44          2HG2      THR  44   5.024 -11.280 -17.397
  455   2HG2  THR  44          3HG2      THR  44   3.529 -11.229 -16.465
  456   3HG2  THR  44          1HG2      THR  44   3.490 -11.022 -18.218
  457    QG2  THR  44           QG2      THR  44   4.014 -11.177 -17.360
  458    H    LYS  45           HN       LYS  45   5.399  -6.951 -17.437
  459    HA   LYS  45           HA       LYS  45   4.677  -5.056 -15.221
  460   1HB   LYS  45          2HB       LYS  45   6.142  -3.376 -16.294
  461   2HB   LYS  45          3HB       LYS  45   7.023  -4.760 -15.666
  462   1HG   LYS  45          2HG       LYS  45   7.577  -5.561 -17.763
  463   2HG   LYS  45          3HG       LYS  45   6.163  -4.860 -18.523
  464   1HD   LYS  45          2HD       LYS  45   7.735  -2.700 -17.466
  465   2HD   LYS  45          3HD       LYS  45   8.819  -3.771 -18.342
  466   1HE   LYS  45          2HE       LYS  45   7.820  -2.024 -19.809
  467   2HE   LYS  45          3HE       LYS  45   7.411  -3.652 -20.331
  468   1HZ   LYS  45          3HZ       LYS  45   5.433  -2.806 -18.502
  469   2HZ   LYS  45          1HZ       LYS  45   5.649  -1.581 -19.684
  470   3HZ   LYS  45          2HZ       LYS  45   5.287  -3.187 -20.144
  471    QB   LYS  45           QB       LYS  45   6.583  -4.068 -15.980
  472    QG   LYS  45           QG       LYS  45   6.870  -5.210 -18.143
  473    QD   LYS  45           QD       LYS  45   8.277  -3.235 -17.904
  474    QE   LYS  45           QE       LYS  45   7.615  -2.838 -20.070
  475    QZ   LYS  45           QZ       LYS  45   5.456  -2.524 -19.443
  476    H    GLU  46           HN       GLU  46   3.262  -6.486 -17.096
  477    HA   GLU  46           HA       GLU  46   1.761  -4.435 -18.680
  478   1HB   GLU  46          2HB       GLU  46   2.086  -7.463 -19.012
  479   2HB   GLU  46          3HB       GLU  46   0.848  -6.552 -19.855
  480   1HG   GLU  46          2HG       GLU  46   2.895  -6.991 -21.238
  481   2HG   GLU  46          3HG       GLU  46   2.517  -5.287 -21.072
  482    QB   GLU  46           QB       GLU  46   1.467  -7.008 -19.433
  483    QG   GLU  46           QG       GLU  46   2.706  -6.139 -21.155
  484    H    ASP  47           HN       ASP  47   1.605  -7.513 -17.026
  485    HA   ASP  47           HA       ASP  47  -1.067  -7.761 -16.353
  486   1HB   ASP  47          2HB       ASP  47   1.508  -8.636 -15.132
  487   2HB   ASP  47          3HB       ASP  47   0.120  -8.685 -14.068
  488    QB   ASP  47           QB       ASP  47   0.814  -8.661 -14.600
  489    H    LEU  48           HN       LEU  48   1.452  -6.112 -14.566
  490    HA   LEU  48           HA       LEU  48  -0.066  -5.297 -12.347
  491   1HB   LEU  48          2HB       LEU  48   2.304  -4.000 -13.720
  492   2HB   LEU  48          3HB       LEU  48   1.696  -3.482 -12.153
  493    HG   LEU  48           HG       LEU  48   2.353  -6.399 -12.719
  494   1HD1  LEU  48          1HD1      LEU  48   4.399  -5.010 -13.084
  495   2HD1  LEU  48          2HD1      LEU  48   4.214  -4.373 -11.454
  496   3HD1  LEU  48          3HD1      LEU  48   4.529  -6.081 -11.699
  497   1HD2  LEU  48          3HD2      LEU  48   2.142  -4.761 -10.157
  498   2HD2  LEU  48          1HD2      LEU  48   0.957  -5.927 -10.728
  499   3HD2  LEU  48          2HD2      LEU  48   2.552  -6.475 -10.238
  500    QB   LEU  48           QB       LEU  48   2.000  -3.741 -12.937
  501    QD1  LEU  48           QD1      LEU  48   4.381  -5.154 -12.079
  502    QD2  LEU  48           QD2      LEU  48   1.884  -5.721 -10.375
  503    QQD  LEU  48           QQD      LEU  48   3.132  -5.438 -11.227
  504    H    GLN  49           HN       GLN  49   0.132  -3.755 -15.529
  505    HA   GLN  49           HA       GLN  49  -1.455  -1.457 -14.644
  506   1HB   GLN  49          2HB       GLN  49   0.137  -1.303 -16.565
  507   2HB   GLN  49          3HB       GLN  49  -0.856  -2.448 -17.464
  508   1HG   GLN  49          2HG       GLN  49  -2.804  -0.849 -17.210
  509   2HG   GLN  49          3HG       GLN  49  -1.696   0.298 -16.468
  510   1HE2  GLN  49          2HE2      GLN  49  -0.117   1.160 -19.503
  511   2HE2  GLN  49          1HE2      GLN  49  -0.061   1.287 -17.809
  512    QB   GLN  49           QB       GLN  49  -0.360  -1.875 -17.014
  513    QG   GLN  49           QG       GLN  49  -2.250  -0.275 -16.839
  514    QE2  GLN  49           QE2      GLN  49  -0.089   1.224 -18.656
  515    H    GLN  50           HN       GLN  50  -1.973  -4.291 -16.673
  516    HA   GLN  50           HA       GLN  50  -4.700  -3.964 -17.281
  517   1HB   GLN  50          2HB       GLN  50  -3.242  -5.711 -18.240
  518   2HB   GLN  50          3HB       GLN  50  -3.137  -6.507 -16.682
  519   1HG   GLN  50          2HG       GLN  50  -5.764  -6.057 -18.129
  520   2HG   GLN  50          3HG       GLN  50  -4.801  -7.513 -18.314
  521   1HE2  GLN  50          2HE2      GLN  50  -7.358  -7.569 -15.373
  522   2HE2  GLN  50          1HE2      GLN  50  -7.516  -6.764 -16.857
  523    QB   GLN  50           QB       GLN  50  -3.189  -6.109 -17.461
  524    QG   GLN  50           QG       GLN  50  -5.283  -6.785 -18.222
  525    QE2  GLN  50           QE2      GLN  50  -7.437  -7.167 -16.115
  526    H    LYS  51           HN       LYS  51  -3.196  -5.472 -14.499
  527    HA   LYS  51           HA       LYS  51  -5.534  -6.351 -13.182
  528   1HB   LYS  51          2HB       LYS  51  -2.740  -6.210 -12.577
  529   2HB   LYS  51          3HB       LYS  51  -3.616  -5.572 -11.199
  530   1HG   LYS  51          2HG       LYS  51  -4.871  -7.542 -10.903
  531   2HG   LYS  51          3HG       LYS  51  -4.554  -8.118 -12.528
  532   1HD   LYS  51          2HD       LYS  51  -2.547  -7.946 -10.246
  533   2HD   LYS  51          3HD       LYS  51  -3.254  -9.419 -10.892
  534   1HE   LYS  51          2HE       LYS  51  -1.241  -7.579 -12.192
  535   2HE   LYS  51          3HE       LYS  51  -1.133  -9.310 -11.930
  536   1HZ   LYS  51          1HZ       LYS  51  -3.370  -8.816 -13.551
  537   2HZ   LYS  51          2HZ       LYS  51  -2.077  -7.954 -14.184
  538   3HZ   LYS  51          3HZ       LYS  51  -1.937  -9.638 -13.965
  539    QB   LYS  51           QB       LYS  51  -3.178  -5.891 -11.888
  540    QG   LYS  51           QG       LYS  51  -4.713  -7.830 -11.715
  541    QD   LYS  51           QD       LYS  51  -2.900  -8.683 -10.569
  542    QE   LYS  51           QE       LYS  51  -1.187  -8.444 -12.061
  543    QZ   LYS  51           QZ       LYS  51  -2.461  -8.803 -13.900
  544    H    ALA  52           HN       ALA  52  -4.388  -3.178 -13.614
  545    HA   ALA  52           HA       ALA  52  -5.904  -2.141 -11.303
  546   1HB   ALA  52          3HB       ALA  52  -4.401  -0.696 -13.534
  547   2HB   ALA  52          1HB       ALA  52  -5.106   0.080 -12.121
  548   3HB   ALA  52          2HB       ALA  52  -3.758  -1.036 -11.931
  549    QB   ALA  52           QB       ALA  52  -4.421  -0.551 -12.529
  550    H    GLY  53           HN       GLY  53  -5.803  -1.903 -14.816
  551   1HA   GLY  53          1HA       GLY  53  -7.598  -1.875 -16.363
  552   2HA   GLY  53          2HA       GLY  53  -8.719  -2.063 -15.018
  553    QA   GLY  53           QA       GLY  53  -8.159  -1.969 -15.690
  554    H    LYS  54           HN       LYS  54  -7.380   0.281 -13.687
  555    HA   LYS  54           HA       LYS  54  -8.808   2.403 -15.228
  556   1HB   LYS  54          2HB       LYS  54  -8.171   2.182 -12.259
  557   2HB   LYS  54          3HB       LYS  54  -9.008   3.536 -12.999
  558   1HG   LYS  54          2HG       LYS  54 -10.875   2.155 -13.650
  559   2HG   LYS  54          3HG       LYS  54 -10.013   0.681 -13.239
  560   1HD   LYS  54          2HD       LYS  54 -10.546   2.803 -11.150
  561   2HD   LYS  54          3HD       LYS  54 -11.769   1.606 -11.540
  562   1HE   LYS  54          2HE       LYS  54  -8.918   0.944 -10.700
  563   2HE   LYS  54          3HE       LYS  54 -10.302   0.924  -9.617
  564   1HZ   LYS  54          3HZ       LYS  54 -11.025  -0.583 -11.835
  565   2HZ   LYS  54          1HZ       LYS  54  -9.442  -1.072 -11.425
  566   3HZ   LYS  54          2HZ       LYS  54 -10.691  -1.128 -10.248
  567    QB   LYS  54           QB       LYS  54  -8.589   2.859 -12.629
  568    QG   LYS  54           QG       LYS  54 -10.444   1.418 -13.445
  569    QD   LYS  54           QD       LYS  54 -11.157   2.205 -11.345
  570    QE   LYS  54           QE       LYS  54  -9.610   0.934 -10.159
  571    QZ   LYS  54           QZ       LYS  54 -10.386  -0.928 -11.169
  572    HA   PRO  55           HA       PRO  55  -5.666   4.223 -16.719
  573   1HB   PRO  55          2HB       PRO  55  -5.995   6.943 -15.551
  574   2HB   PRO  55          3HB       PRO  55  -6.199   6.405 -17.223
  575   1HG   PRO  55          2HG       PRO  55  -8.335   7.027 -15.640
  576   2HG   PRO  55          3HG       PRO  55  -8.429   5.766 -16.876
  577   1HD   PRO  55          2HD       PRO  55  -8.148   5.469 -13.893
  578   2HD   PRO  55          3HD       PRO  55  -9.034   4.455 -15.053
  579    QB   PRO  55           QB       PRO  55  -6.097   6.674 -16.387
  580    QG   PRO  55           QG       PRO  55  -8.382   6.396 -16.258
  581    QD   PRO  55           QD       PRO  55  -8.591   4.962 -14.473
  582    H    VAL  56           HN       VAL  56  -4.184   2.968 -15.214
  583    HA   VAL  56           HA       VAL  56  -2.526   4.713 -13.482
  584    HB   VAL  56           HB       VAL  56  -3.317   2.459 -12.679
  585   1HG1  VAL  56          2HG1      VAL  56  -3.182   1.262 -14.841
  586   2HG1  VAL  56          3HG1      VAL  56  -1.426   1.417 -14.814
  587   3HG1  VAL  56          1HG1      VAL  56  -2.245   0.437 -13.602
  588   1HG2  VAL  56          1HG2      VAL  56  -1.244   3.487 -11.749
  589   2HG2  VAL  56          2HG2      VAL  56  -1.131   1.736 -11.781
  590   3HG2  VAL  56          3HG2      VAL  56  -0.294   2.688 -12.996
  591    QG1  VAL  56           QG1      VAL  56  -2.284   1.039 -14.419
  592    QG2  VAL  56           QG2      VAL  56  -0.890   2.637 -12.175
  593    QQG  VAL  56           QQG      VAL  56  -1.587   1.838 -13.297
  594    H    GLU  57           HN       GLU  57  -0.199   4.533 -13.689
  595    HA   GLU  57           HA       GLU  57   0.620   4.755 -16.508
  596   1HB   GLU  57          2HB       GLU  57   2.813   5.522 -15.241
  597   2HB   GLU  57          3HB       GLU  57   1.407   6.575 -15.237
  598   1HG   GLU  57          2HG       GLU  57   0.855   6.078 -13.014
  599   2HG   GLU  57          3HG       GLU  57   1.677   4.522 -13.035
  600    QB   GLU  57           QB       GLU  57   2.110   6.048 -15.239
  601    QG   GLU  57           QG       GLU  57   1.266   5.300 -13.025
  602    H    THR  58           HN       THR  58   3.000   3.846 -14.185
  603    HA   THR  58           HA       THR  58   3.085   1.081 -15.304
  604    HB   THR  58           HB       THR  58   4.752   2.607 -16.473
  605    HG1  THR  58          1HG       THR  58   5.736   0.738 -16.530
  606   1HG2  THR  58          2HG2      THR  58   6.080   2.635 -13.721
  607   2HG2  THR  58          3HG2      THR  58   6.750   3.307 -15.201
  608   3HG2  THR  58          1HG2      THR  58   5.328   4.036 -14.468
  609    QG2  THR  58           QG2      THR  58   6.053   3.326 -14.463
  610    H    VAL  59           HN       VAL  59   5.369   0.350 -13.949
  611    HA   VAL  59           HA       VAL  59   4.293  -0.166 -11.264
  612    HB   VAL  59           HB       VAL  59   6.760  -1.112 -12.788
  613   1HG1  VAL  59          1HG1      VAL  59   7.105  -1.190 -10.258
  614   2HG1  VAL  59          2HG1      VAL  59   5.728  -2.294 -10.183
  615   3HG1  VAL  59          3HG1      VAL  59   7.167  -2.750 -11.065
  616   1HG2  VAL  59          3HG2      VAL  59   4.149  -2.451 -12.030
  617   2HG2  VAL  59          1HG2      VAL  59   4.612  -1.925 -13.644
  618   3HG2  VAL  59          2HG2      VAL  59   5.485  -3.238 -12.864
  619    QG1  VAL  59           QG1      VAL  59   6.667  -2.078 -10.502
  620    QG2  VAL  59           QG2      VAL  59   4.748  -2.538 -12.846
  621    QQG  VAL  59           QQG      VAL  59   5.708  -2.308 -11.674
  622    HA   PRO  60           HA       PRO  60   5.131  -0.775  -9.329
  623   1HB   PRO  60          2HB       PRO  60   4.956   0.443  -6.806
  624   2HB   PRO  60          3HB       PRO  60   6.269  -0.601  -7.364
  625   1HG   PRO  60          2HG       PRO  60   6.378   2.225  -6.826
  626   2HG   PRO  60          3HG       PRO  60   7.683   1.211  -7.434
  627   1HD   PRO  60          2HD       PRO  60   5.888   3.066  -8.929
  628   2HD   PRO  60          3HD       PRO  60   7.487   2.448  -9.395
  629    QB   PRO  60           QB       PRO  60   5.612  -0.079  -7.085
  630    QG   PRO  60           QG       PRO  60   7.031   1.718  -7.130
  631    QD   PRO  60           QD       PRO  60   6.688   2.757  -9.162
  632    H    GLN  61           HN       GLN  61   3.150  -1.152  -8.125
  633    HA   GLN  61           HA       GLN  61   1.162   1.055  -8.420
  634   1HB   GLN  61          2HB       GLN  61   0.761  -1.832  -9.311
  635   2HB   GLN  61          3HB       GLN  61  -0.468  -0.579  -9.339
  636   1HG   GLN  61          2HG       GLN  61   1.107   0.778 -10.851
  637   2HG   GLN  61          3HG       GLN  61   2.102  -0.671 -10.962
  638   1HE2  GLN  61          2HE2      GLN  61  -1.677  -1.245 -12.386
  639   2HE2  GLN  61          1HE2      GLN  61  -1.481  -0.397 -10.928
  640    QB   GLN  61           QB       GLN  61   0.146  -1.206  -9.325
  641    QG   GLN  61           QG       GLN  61   1.604   0.053 -10.906
  642    QE2  GLN  61           QE2      GLN  61  -1.579  -0.821 -11.657
  643    H    ILE  62           HN       ILE  62  -0.708   0.824  -7.081
  644    HA   ILE  62           HA       ILE  62  -0.239  -0.963  -4.714
  645    HB   ILE  62           HB       ILE  62  -1.230   1.901  -4.793
  646   1HG1  ILE  62          2HG1      ILE  62   1.315   0.625  -3.737
  647   2HG1  ILE  62          3HG1      ILE  62   1.193   1.600  -5.193
  648   1HG2  ILE  62          3HG2      ILE  62  -0.826   0.005  -2.438
  649   2HG2  ILE  62          1HG2      ILE  62  -1.222   1.716  -2.303
  650   3HG2  ILE  62          2HG2      ILE  62  -2.370   0.601  -3.025
  651   1HD1  ILE  62          3HD1      ILE  62   0.320   3.483  -3.784
  652   2HD1  ILE  62          1HD1      ILE  62   0.662   2.502  -2.359
  653   3HD1  ILE  62          2HD1      ILE  62   1.974   3.014  -3.408
  654    QG1  ILE  62           QG1      ILE  62   1.254   1.112  -4.465
  655    QG2  ILE  62           QG2      ILE  62  -1.473   0.774  -2.589
  656    QD1  ILE  62           QD1      ILE  62   0.985   3.000  -3.184
  657    H    PHE  63           HN       PHE  63  -1.917  -1.841  -3.770
  658    HA   PHE  63           HA       PHE  63  -4.635  -1.428  -4.954
  659   1HB   PHE  63          2HB       PHE  63  -3.262  -4.048  -4.270
  660   2HB   PHE  63          3HB       PHE  63  -4.990  -3.919  -4.553
  661    HD1  PHE  63          2HD       PHE  63  -1.773  -2.913  -6.223
  662    HD2  PHE  63          1HD       PHE  63  -5.754  -4.342  -6.719
  663    HE1  PHE  63          2HE       PHE  63  -1.446  -2.978  -8.648
  664    HE2  PHE  63          1HE       PHE  63  -5.410  -4.448  -9.145
  665    HZ   PHE  63           HZ       PHE  63  -3.266  -3.704 -10.111
  666    QB   PHE  63           QB       PHE  63  -4.126  -3.983  -4.412
  667    QR   PHE  63           QR       PHE  63  -3.596  -3.670  -7.684
  668    H    VAL  64           HN       VAL  64  -6.042  -0.843  -3.373
  669    HA   VAL  64           HA       VAL  64  -5.211  -1.457  -0.572
  670    HB   VAL  64           HB       VAL  64  -7.351   0.364  -1.719
  671   1HG1  VAL  64          2HG1      VAL  64  -6.942  -0.427   1.198
  672   2HG1  VAL  64          3HG1      VAL  64  -8.041   0.823   0.622
  673   3HG1  VAL  64          1HG1      VAL  64  -8.340  -0.859   0.214
  674   1HG2  VAL  64          1HG2      VAL  64  -5.004   1.210  -1.492
  675   2HG2  VAL  64          2HG2      VAL  64  -6.090   2.045  -0.383
  676   3HG2  VAL  64          3HG2      VAL  64  -5.024   0.779   0.214
  677    QG1  VAL  64           QG1      VAL  64  -7.774  -0.155   0.678
  678    QG2  VAL  64           QG2      VAL  64  -5.373   1.345  -0.554
  679    QQG  VAL  64           QQG      VAL  64  -6.574   0.595   0.062
  680    H    ASP  65           HN       ASP  65  -5.972  -3.156   0.364
  681    HA   ASP  65           HA       ASP  65  -7.179  -5.077   0.819
  682   1HB   ASP  65          2HB       ASP  65  -8.955  -3.049   0.744
  683   2HB   ASP  65          3HB       ASP  65  -9.580  -3.996  -0.590
  684    QB   ASP  65           QB       ASP  65  -9.268  -3.523   0.077
  685    H    GLN  66           HN       GLN  66  -8.707  -4.153  -2.210
  686    HA   GLN  66           HA       GLN  66  -7.270  -6.273  -3.654
  687   1HB   GLN  66          2HB       GLN  66  -9.777  -6.783  -4.597
  688   2HB   GLN  66          3HB       GLN  66  -8.944  -7.742  -3.391
  689   1HG   GLN  66          2HG       GLN  66 -11.222  -7.155  -2.686
  690   2HG   GLN  66          3HG       GLN  66 -10.037  -6.490  -1.588
  691   1HE2  GLN  66          2HE2      GLN  66 -11.746  -3.443  -1.891
  692   2HE2  GLN  66          1HE2      GLN  66 -11.282  -4.729  -0.867
  693    QB   GLN  66           QB       GLN  66  -9.360  -7.262  -3.994
  694    QG   GLN  66           QG       GLN  66 -10.630  -6.823  -2.137
  695    QE2  GLN  66           QE2      GLN  66 -11.514  -4.086  -1.379
  696    H    GLN  67           HN       GLN  67  -8.606  -3.184  -3.645
  697    HA   GLN  67           HA       GLN  67  -8.979  -3.149  -6.544
  698   1HB   GLN  67          2HB       GLN  67 -10.646  -2.363  -4.740
  699   2HB   GLN  67          3HB       GLN  67  -9.527  -1.046  -4.440
  700   1HG   GLN  67          2HG       GLN  67 -11.229  -0.369  -5.971
  701   2HG   GLN  67          3HG       GLN  67  -9.672  -0.386  -6.786
  702   1HE2  GLN  67          2HE2      GLN  67 -11.704  -3.808  -7.659
  703   2HE2  GLN  67          1HE2      GLN  67 -11.262  -3.451  -6.058
  704    QB   GLN  67           QB       GLN  67 -10.086  -1.704  -4.590
  705    QG   GLN  67           QG       GLN  67 -10.450  -0.377  -6.379
  706    QE2  GLN  67           QE2      GLN  67 -11.483  -3.630  -6.858
  707    H    HIS  68           HN       HIS  68  -7.667  -1.962  -7.880
  708    HA   HIS  68           HA       HIS  68  -5.110  -1.037  -6.886
  709   1HB   HIS  68          2HB       HIS  68  -5.435  -1.839  -9.191
  710   2HB   HIS  68          3HB       HIS  68  -6.487  -0.491  -9.524
  711    HD1  HIS  68           HD1      HIS  68  -5.395   1.539 -10.294
  712    HD2  HIS  68           HD2      HIS  68  -2.619  -0.908  -8.516
  713    HE1  HIS  68           HE1      HIS  68  -3.153   2.625 -10.640
  714    QB   HIS  68           QB       HIS  68  -5.961  -1.165  -9.357
  715    H    ILE  69           HN       ILE  69  -4.652   0.980  -6.091
  716    HA   ILE  69           HA       ILE  69  -6.894   2.962  -6.211
  717    HB   ILE  69           HB       ILE  69  -4.691   2.582  -4.167
  718   1HG1  ILE  69          2HG1      ILE  69  -6.610   0.993  -4.082
  719   2HG1  ILE  69          3HG1      ILE  69  -6.534   2.030  -2.669
  720   1HG2  ILE  69          1HG2      ILE  69  -6.827   4.736  -4.288
  721   2HG2  ILE  69          2HG2      ILE  69  -5.795   4.421  -2.897
  722   3HG2  ILE  69          3HG2      ILE  69  -5.091   4.982  -4.409
  723   1HD1  ILE  69          3HD1      ILE  69  -8.386   2.462  -5.042
  724   2HD1  ILE  69          1HD1      ILE  69  -8.855   1.826  -3.472
  725   3HD1  ILE  69          2HD1      ILE  69  -8.296   3.488  -3.610
  726    QG1  ILE  69           QG1      ILE  69  -6.572   1.512  -3.375
  727    QG2  ILE  69           QG2      ILE  69  -5.904   4.713  -3.865
  728    QD1  ILE  69           QD1      ILE  69  -8.512   2.592  -4.041
  729    H    GLY  70           HN       GLY  70  -3.405   2.627  -6.681
  730   1HA   GLY  70          1HA       GLY  70  -2.956   4.251  -8.752
  731   2HA   GLY  70          2HA       GLY  70  -3.312   5.475  -7.540
  732    QA   GLY  70           QA       GLY  70  -3.134   4.863  -8.146
  733    H    GLY  71           HN       GLY  71  -1.447   6.382  -6.986
  734   1HA   GLY  71          1HA       GLY  71   0.964   4.638  -6.645
  735   2HA   GLY  71          2HA       GLY  71   1.022   6.337  -7.097
  736    QA   GLY  71           QA       GLY  71   0.993   5.487  -6.871
  737    OH   TYR  72           OH       TYR  72   5.034   9.680   1.800
  738    H    TYR  72           HN       TYR  72   2.320   6.884  -5.395
  739    HA   TYR  72           HA       TYR  72   1.608   6.310  -2.619
  740   1HB   TYR  72          2HB       TYR  72   3.939   6.506  -3.254
  741   2HB   TYR  72          3HB       TYR  72   3.674   8.103  -3.934
  742    HD1  TYR  72           HD2      TYR  72   3.287   6.300  -0.632
  743    HD2  TYR  72           HD1      TYR  72   4.136   9.966  -2.631
  744    HE1  TYR  72           HE2      TYR  72   4.091   7.276   1.471
  745    HE2  TYR  72           HE1      TYR  72   4.877  10.943  -0.516
  746    HH   TYR  72           HH       TYR  72   4.902  10.639   1.781
  747    QB   TYR  72           QB       TYR  72   3.807   7.305  -3.594
  748    QR   TYR  72           QR       TYR  72   4.097   8.621  -0.577
  749    H    THR  73           HN       THR  73   1.847   9.311  -4.509
  750    HA   THR  73           HA       THR  73   0.864  11.126  -2.627
  751    HB   THR  73           HB       THR  73  -0.071  12.177  -5.013
  752    HG1  THR  73          1HG       THR  73   0.239  10.181  -6.108
  753   1HG2  THR  73          2HG2      THR  73   1.998  12.964  -3.714
  754   2HG2  THR  73          3HG2      THR  73   2.900  11.657  -4.472
  755   3HG2  THR  73          1HG2      THR  73   2.234  12.955  -5.460
  756    QG2  THR  73           QG2      THR  73   2.377  12.525  -4.549
  757    H    ASP  74           HN       ASP  74  -1.210   9.727  -5.179
  758    HA   ASP  74           HA       ASP  74  -3.661  10.661  -4.139
  759   1HB   ASP  74          2HB       ASP  74  -4.604   8.596  -5.395
  760   2HB   ASP  74          3HB       ASP  74  -3.695   9.765  -6.346
  761    QB   ASP  74           QB       ASP  74  -4.150   9.180  -5.870
  762    H    PHE  75           HN       PHE  75  -2.358   7.359  -3.822
  763    HA   PHE  75           HA       PHE  75  -4.097   6.286  -1.979
  764   1HB   PHE  75          2HB       PHE  75  -2.134   5.143  -3.000
  765   2HB   PHE  75          3HB       PHE  75  -1.063   6.051  -1.955
  766    HD1  PHE  75          2HD       PHE  75  -4.253   4.830  -0.535
  767    HD2  PHE  75          1HD       PHE  75  -0.131   3.948  -1.142
  768    HE1  PHE  75          2HE       PHE  75  -4.384   3.021   1.113
  769    HE2  PHE  75          1HE       PHE  75  -0.272   2.152   0.518
  770    HZ   PHE  75           HZ       PHE  75  -2.408   1.683   1.636
  771    QB   PHE  75           QB       PHE  75  -1.599   5.597  -2.478
  772    QR   PHE  75           QR       PHE  75  -2.260   3.488  -0.012
  773    H    ALA  76           HN       ALA  76  -1.271   8.284  -1.195
  774    HA   ALA  76           HA       ALA  76  -1.520   8.397   1.613
  775   1HB   ALA  76          2HB       ALA  76   0.433   9.236   0.275
  776   2HB   ALA  76          3HB       ALA  76  -0.553  10.557  -0.318
  777   3HB   ALA  76          1HB       ALA  76  -0.147  10.471   1.391
  778    QB   ALA  76           QB       ALA  76  -0.089  10.088   0.449
  779    H    ALA  77           HN       ALA  77  -2.612  10.810  -0.746
  780    HA   ALA  77           HA       ALA  77  -4.098  12.455   1.008
  781   1HB   ALA  77          2HB       ALA  77  -4.676  11.780  -1.911
  782   2HB   ALA  77          3HB       ALA  77  -5.349  13.156  -1.035
  783   3HB   ALA  77          1HB       ALA  77  -3.619  13.066  -1.343
  784    QB   ALA  77           QB       ALA  77  -4.548  12.668  -1.430
  785    CH2  TRP  78           CH2      TRP  78  -8.106   3.478   1.368
  786    H    TRP  78           HN       TRP  78  -5.356   9.976  -1.159
  787    HA   TRP  78           HA       TRP  78  -7.996   9.741  -0.347
  788   1HB   TRP  78          2HB       TRP  78  -7.076   8.396  -2.152
  789   2HB   TRP  78          3HB       TRP  78  -5.958   7.619  -1.081
  790    HD1  TRP  78           HD1      TRP  78  -9.649   7.449  -2.169
  791    HE1  TRP  78           HE1      TRP  78 -10.721   5.411  -1.198
  792    HE3  TRP  78           HE3      TRP  78  -5.824   5.866   0.582
  793    HZ2  TRP  78           HZ2      TRP  78 -10.104   3.375   0.616
  794    HZ3  TRP  78           HZ3      TRP  78  -6.098   3.840   1.986
  795    HH2  TRP  78           HH2      TRP  78  -8.205   2.585   1.967
  796    QB   TRP  78           QB       TRP  78  -6.517   8.008  -1.616
  797    H    VAL  79           HN       VAL  79  -5.338   7.809   0.970
  798    HA   VAL  79           HA       VAL  79  -6.502   6.486   3.083
  799    HB   VAL  79           HB       VAL  79  -3.798   7.815   2.769
  800   1HG1  VAL  79          2HG1      VAL  79  -4.711   6.316   5.243
  801   2HG1  VAL  79          3HG1      VAL  79  -3.067   6.841   4.904
  802   3HG1  VAL  79          1HG1      VAL  79  -4.324   8.031   5.184
  803   1HG2  VAL  79          1HG2      VAL  79  -4.653   4.931   3.180
  804   2HG2  VAL  79          2HG2      VAL  79  -4.219   5.653   1.642
  805   3HG2  VAL  79          3HG2      VAL  79  -3.006   5.477   2.889
  806    QG1  VAL  79           QG1      VAL  79  -4.034   7.063   5.110
  807    QG2  VAL  79           QG2      VAL  79  -3.959   5.354   2.570
  808    QQG  VAL  79           QQG      VAL  79  -3.997   6.208   3.840
  809    H    LYS  80           HN       LYS  80  -4.909   9.618   3.354
  810    HA   LYS  80           HA       LYS  80  -5.751  10.418   5.878
  811   1HB   LYS  80          2HB       LYS  80  -4.497  11.625   3.724
  812   2HB   LYS  80          3HB       LYS  80  -5.993  12.532   3.794
  813   1HG   LYS  80          2HG       LYS  80  -3.998  12.147   6.056
  814   2HG   LYS  80          3HG       LYS  80  -4.272  13.633   5.167
  815   1HD   LYS  80          2HD       LYS  80  -6.329  12.239   6.918
  816   2HD   LYS  80          3HD       LYS  80  -5.392  13.634   7.396
  817   1HE   LYS  80          2HE       LYS  80  -6.943  14.976   6.469
  818   2HE   LYS  80          3HE       LYS  80  -6.590  14.279   4.895
  819   1HZ   LYS  80          2HZ       LYS  80  -8.191  12.481   6.376
  820   2HZ   LYS  80          3HZ       LYS  80  -8.915  14.028   6.369
  821   3HZ   LYS  80          1HZ       LYS  80  -8.528  13.272   4.907
  822    QB   LYS  80           QB       LYS  80  -5.245  12.079   3.759
  823    QG   LYS  80           QG       LYS  80  -4.135  12.890   5.612
  824    QD   LYS  80           QD       LYS  80  -5.861  12.936   7.157
  825    QE   LYS  80           QE       LYS  80  -6.767  14.628   5.682
  826    QZ   LYS  80           QZ       LYS  80  -8.545  13.260   5.884
  827    H    GLU  81           HN       GLU  81  -7.477  11.031   2.849
  828    HA   GLU  81           HA       GLU  81  -9.849  12.024   4.262
  829   1HB   GLU  81          2HB       GLU  81  -9.742  11.302   1.335
  830   2HB   GLU  81          3HB       GLU  81 -10.684  12.550   2.107
  831   1HG   GLU  81          2HG       GLU  81  -7.674  12.571   1.698
  832   2HG   GLU  81          3HG       GLU  81  -8.836  13.561   0.855
  833    QB   GLU  81           QB       GLU  81 -10.213  11.926   1.721
  834    QG   GLU  81           QG       GLU  81  -8.255  13.066   1.276
  835    H    ASN  82           HN       ASN  82  -9.043   9.123   4.575
  836    HA   ASN  82           HA       ASN  82 -11.796   8.073   4.155
  837   1HB   ASN  82          2HB       ASN  82  -9.223   6.827   3.182
  838   2HB   ASN  82          3HB       ASN  82 -10.586   5.801   3.617
  839   1HD2  ASN  82          2HD2      ASN  82 -10.968   8.334   0.431
  840   2HD2  ASN  82          1HD2      ASN  82  -9.890   8.716   1.678
  841    QB   ASN  82           QB       ASN  82  -9.905   6.314   3.400
  842    QD2  ASN  82           QD2      ASN  82 -10.429   8.525   1.055
  843    H    LEU  83           HN       LEU  83  -8.672   7.536   5.689
  844    HA   LEU  83           HA       LEU  83  -9.979   5.800   7.710
  845   1HB   LEU  83          2HB       LEU  83  -7.043   6.521   7.601
  846   2HB   LEU  83          3HB       LEU  83  -7.804   5.105   8.326
  847    HG   LEU  83           HG       LEU  83  -7.684   5.746   5.349
  848   1HD1  LEU  83          2HD1      LEU  83  -5.579   4.869   6.345
  849   2HD1  LEU  83          3HD1      LEU  83  -6.458   3.451   6.907
  850   3HD1  LEU  83          1HD1      LEU  83  -6.293   3.761   5.185
  851   1HD2  LEU  83          1HD2      LEU  83  -8.951   3.407   6.819
  852   2HD2  LEU  83          2HD2      LEU  83  -9.821   4.660   5.942
  853   3HD2  LEU  83          3HD2      LEU  83  -8.786   3.540   5.073
  854    QB   LEU  83           QB       LEU  83  -7.424   5.813   7.964
  855    QD1  LEU  83           QD1      LEU  83  -6.110   4.027   6.145
  856    QD2  LEU  83           QD2      LEU  83  -9.186   3.869   5.944
  857    QQD  LEU  83           QQD      LEU  83  -7.648   3.948   6.045
  858    H    ASP  84           HN       ASP  84  -9.365   9.007   7.325
  859    HA   ASP  84           HA       ASP  84  -9.283   9.488  10.287
  860   1HB   ASP  84          2HB       ASP  84  -8.431  11.398   8.078
  861   2HB   ASP  84          3HB       ASP  84  -8.260  11.656   9.806
  862    QB   ASP  84           QB       ASP  84  -8.345  11.527   8.942
  863    H    ALA  85           HN       ALA  85 -10.466  10.732   7.221
  864    HA   ALA  85           HA       ALA  85 -12.949  11.707   8.571
  865   1HB   ALA  85          3HB       ALA  85 -11.537  13.600   7.779
  866   2HB   ALA  85          1HB       ALA  85 -11.535  12.908   6.158
  867   3HB   ALA  85          2HB       ALA  85 -13.036  13.503   6.858
  868    QB   ALA  85           QB       ALA  85 -12.036  13.337   6.932
   
  Start of MODEL          16
 Raw file had 868 H/Q atoms
  Start of MODEL   16
    1    H    MET   1           HN       MET   1  -8.343  -3.268   7.724
    2    HA   MET   1           HA       MET   1  -8.718  -4.667   5.292
    3   1HB   MET   1          2HB       MET   1  -7.336  -2.010   5.868
    4   2HB   MET   1          3HB       MET   1  -7.815  -2.568   4.270
    5   1HG   MET   1          2HG       MET   1 -10.130  -2.524   4.838
    6   2HG   MET   1          3HG       MET   1  -9.792  -2.309   6.539
    7   1HE   MET   1          2HE       MET   1  -9.685  -0.873   3.041
    8   2HE   MET   1          3HE       MET   1  -9.358   0.842   3.259
    9   3HE   MET   1          1HE       MET   1  -8.081  -0.334   3.558
   10    QB   MET   1           QB       MET   1  -7.575  -2.289   5.069
   11    QG   MET   1           QG       MET   1  -9.961  -2.417   5.688
   12    QE   MET   1           QE       MET   1  -9.042  -0.122   3.286
   13    H    GLN   2           HN       GLN   2  -7.102  -4.988   3.627
   14    HA   GLN   2           HA       GLN   2  -4.381  -5.587   4.682
   15   1HB   GLN   2          2HB       GLN   2  -5.851  -7.605   4.054
   16   2HB   GLN   2          3HB       GLN   2  -5.817  -6.999   2.397
   17   1HG   GLN   2          2HG       GLN   2  -3.186  -6.920   2.841
   18   2HG   GLN   2          3HG       GLN   2  -3.608  -8.110   4.060
   19   1HE2  GLN   2          2HE2      GLN   2  -4.010 -10.680   1.676
   20   2HE2  GLN   2          1HE2      GLN   2  -3.855 -10.251   3.312
   21    QB   GLN   2           QB       GLN   2  -5.834  -7.302   3.226
   22    QG   GLN   2           QG       GLN   2  -3.397  -7.515   3.450
   23    QE2  GLN   2           QE2      GLN   2  -3.932 -10.465   2.494
   24    H    THR   3           HN       THR   3  -3.032  -4.109   3.785
   25    HA   THR   3           HA       THR   3  -3.739  -3.014   1.113
   26    HB   THR   3           HB       THR   3  -1.623  -2.140   3.136
   27    HG1  THR   3          1HG       THR   3  -3.274  -1.109   3.932
   28   1HG2  THR   3          3HG2      THR   3  -2.726  -0.721   0.663
   29   2HG2  THR   3          1HG2      THR   3  -1.532  -0.073   1.780
   30   3HG2  THR   3          2HG2      THR   3  -1.121  -1.435   0.745
   31    QG2  THR   3           QG2      THR   3  -1.793  -0.743   1.062
   32    H    VAL   4           HN       VAL   4  -2.618  -3.574  -0.683
   33    HA   VAL   4           HA       VAL   4  -0.142  -5.240  -0.334
   34    HB   VAL   4           HB       VAL   4  -2.040  -5.386  -2.691
   35   1HG1  VAL   4          3HG1      VAL   4   0.084  -7.252  -1.559
   36   2HG1  VAL   4          1HG1      VAL   4  -0.906  -7.595  -2.973
   37   3HG1  VAL   4          2HG1      VAL   4   0.245  -6.265  -3.008
   38   1HG2  VAL   4          3HG2      VAL   4  -2.072  -7.124  -0.197
   39   2HG2  VAL   4          1HG2      VAL   4  -3.344  -6.013  -0.688
   40   3HG2  VAL   4          2HG2      VAL   4  -2.999  -7.436  -1.660
   41    QG1  VAL   4           QG1      VAL   4  -0.193  -7.037  -2.513
   42    QG2  VAL   4           QG2      VAL   4  -2.805  -6.858  -0.849
   43    QQG  VAL   4           QQG      VAL   4  -1.499  -6.948  -1.681
   44    H    ILE   5           HN       ILE   5   1.567  -4.416  -1.185
   45    HA   ILE   5           HA       ILE   5   1.317  -2.144  -3.124
   46    HB   ILE   5           HB       ILE   5   3.716  -2.916  -1.420
   47   1HG1  ILE   5          2HG1      ILE   5   1.784  -2.304   0.051
   48   2HG1  ILE   5          3HG1      ILE   5   3.109  -1.161   0.164
   49   1HG2  ILE   5          1HG2      ILE   5   3.019  -0.405  -2.976
   50   2HG2  ILE   5          2HG2      ILE   5   4.402  -0.544  -1.892
   51   3HG2  ILE   5          3HG2      ILE   5   4.308  -1.548  -3.337
   52   1HD1  ILE   5          1HD1      ILE   5   0.609  -0.768  -1.515
   53   2HD1  ILE   5          2HD1      ILE   5   0.944   0.018   0.024
   54   3HD1  ILE   5          3HD1      ILE   5   1.941   0.376  -1.378
   55    QG1  ILE   5           QG1      ILE   5   2.447  -1.733   0.108
   56    QG2  ILE   5           QG2      ILE   5   3.910  -0.833  -2.735
   57    QD1  ILE   5           QD1      ILE   5   1.165  -0.125  -0.956
   58    H    PHE   6           HN       PHE   6   1.561  -2.926  -5.161
   59    HA   PHE   6           HA       PHE   6   3.258  -5.327  -5.639
   60   1HB   PHE   6          2HB       PHE   6   1.229  -3.833  -7.336
   61   2HB   PHE   6          3HB       PHE   6   2.315  -5.012  -8.040
   62    HD1  PHE   6          2HD       PHE   6  -0.152  -4.730  -5.198
   63    HD2  PHE   6          1HD       PHE   6   1.611  -7.234  -8.158
   64    HE1  PHE   6          2HE       PHE   6  -1.786  -6.486  -4.698
   65    HE2  PHE   6          1HE       PHE   6  -0.015  -8.997  -7.643
   66    HZ   PHE   6           HZ       PHE   6  -1.714  -8.629  -5.900
   67    QB   PHE   6           QB       PHE   6   1.772  -4.423  -7.688
   68    QR   PHE   6           QR       PHE   6  -0.086  -6.862  -6.424
   69    H    GLY   7           HN       GLY   7   5.327  -4.721  -5.835
   70   1HA   GLY   7          1HA       GLY   7   6.000  -2.593  -7.798
   71   2HA   GLY   7          2HA       GLY   7   6.679  -2.474  -6.176
   72    QA   GLY   7           QA       GLY   7   6.340  -2.533  -6.987
   73    NH1  ARG   8           NH1      ARG   8   9.685   0.892  -9.149
   74    NH2  ARG   8           NH2      ARG   8   9.718   0.813 -11.454
   75    H    ARG   8           HN       ARG   8   8.760  -2.649  -6.938
   76    HA   ARG   8           HA       ARG   8   9.629  -5.385  -7.720
   77   1HB   ARG   8          2HB       ARG   8  11.341  -4.367  -9.225
   78   2HB   ARG   8          3HB       ARG   8   9.705  -3.995  -9.745
   79   1HG   ARG   8          2HG       ARG   8   9.931  -1.804  -8.425
   80   2HG   ARG   8          3HG       ARG   8  11.652  -2.160  -8.307
   81   1HD   ARG   8          2HD       ARG   8  11.815  -2.257 -10.776
   82   2HD   ARG   8          3HD       ARG   8  10.076  -1.969 -10.911
   83    HE   ARG   8           HE       ARG   8  12.114   0.063 -10.155
   84   1HH1  ARG   8          2HH1      ARG   8  10.144   0.621  -8.295
   85   2HH1  ARG   8          1HH1      ARG   8   8.856   1.446  -9.106
   86   1HH2  ARG   8          2HH2      ARG   8  10.154   0.436 -12.277
   87   2HH2  ARG   8          1HH2      ARG   8   8.941   1.433 -11.551
   88    QB   ARG   8           QB       ARG   8  10.523  -4.181  -9.485
   89    QG   ARG   8           QG       ARG   8  10.792  -1.982  -8.366
   90    QD   ARG   8           QD       ARG   8  10.945  -2.113 -10.843
   91    QH1  ARG   8           QH1      ARG   8   9.500   1.034  -8.701
   92    QH2  ARG   8           QH2      ARG   8   9.548   0.934 -11.914
   93    H    SER   9           HN       SER   9  12.457  -4.769  -7.576
   94    HA   SER   9           HA       SER   9  12.697  -3.762  -4.770
   95   1HB   SER   9          2HB       SER   9  14.362  -5.657  -4.400
   96   2HB   SER   9          3HB       SER   9  12.690  -6.203  -4.641
   97    HG   SER   9           HG       SER   9  14.557  -5.821  -6.767
   98    QB   SER   9           QB       SER   9  13.526  -5.930  -4.520
   99    H    GLY  10           HN       GLY  10  14.513  -2.571  -4.338
  100   1HA   GLY  10          1HA       GLY  10  16.896  -2.055  -4.852
  101   2HA   GLY  10          2HA       GLY  10  16.508  -2.272  -6.553
  102    QA   GLY  10           QA       GLY  10  16.702  -2.164  -5.702
  103    H    CYS  11           HN       CYS  11  13.910  -0.700  -5.309
  104    HA   CYS  11           HA       CYS  11  15.057   1.940  -6.083
  105   1HB   CYS  11          2HB       CYS  11  12.479   2.391  -6.395
  106   2HB   CYS  11          3HB       CYS  11  13.439   1.636  -7.634
  107    QB   CYS  11           QB       CYS  11  12.959   2.013  -7.015
  108    HA   PRO  12           HA       PRO  12  14.562   2.862  -1.584
  109   1HB   PRO  12          2HB       PRO  12  15.519   5.346  -2.998
  110   2HB   PRO  12          3HB       PRO  12  15.987   4.717  -1.411
  111   1HG   PRO  12          2HG       PRO  12  17.561   4.349  -3.609
  112   2HG   PRO  12          3HG       PRO  12  17.456   3.126  -2.335
  113   1HD   PRO  12          2HD       PRO  12  16.338   3.060  -5.089
  114   2HD   PRO  12          3HD       PRO  12  16.686   1.706  -3.995
  115    QB   PRO  12           QB       PRO  12  15.753   5.031  -2.204
  116    QG   PRO  12           QG       PRO  12  17.509   3.737  -2.972
  117    QD   PRO  12           QD       PRO  12  16.512   2.383  -4.542
  118    OH   TYR  13           OH       TYR  13   7.268   9.862  -4.182
  119    H    TYR  13           HN       TYR  13  13.439   4.570  -4.497
  120    HA   TYR  13           HA       TYR  13  11.490   6.135  -3.053
  121   1HB   TYR  13          2HB       TYR  13  12.282   6.535  -5.498
  122   2HB   TYR  13          3HB       TYR  13  11.082   5.321  -5.943
  123    HD1  TYR  13           HD1      TYR  13   8.665   5.669  -5.053
  124    HD2  TYR  13           HD2      TYR  13  11.589   8.768  -4.999
  125    HE1  TYR  13           HE1      TYR  13   6.913   7.317  -4.627
  126    HE2  TYR  13           HE2      TYR  13   9.828  10.409  -4.529
  127    HH   TYR  13           HH       TYR  13   7.322  10.605  -4.785
  128    QB   TYR  13           QB       TYR  13  11.682   5.928  -5.721
  129    QR   TYR  13           QR       TYR  13   9.249   8.041  -4.802
  130    H    CYS  14           HN       CYS  14  11.280   2.993  -4.764
  131    HA   CYS  14           HA       CYS  14   8.485   2.565  -4.411
  132   1HB   CYS  14          2HB       CYS  14  10.697   0.524  -4.202
  133   2HB   CYS  14          3HB       CYS  14   9.005   0.174  -4.469
  134    QB   CYS  14           QB       CYS  14   9.851   0.349  -4.335
  135    H    VAL  15           HN       VAL  15  11.223   1.987  -2.299
  136    HA   VAL  15           HA       VAL  15   9.972   0.760  -0.121
  137    HB   VAL  15           HB       VAL  15  12.083   2.934   0.016
  138   1HG1  VAL  15          3HG1      VAL  15  11.319   0.770   2.010
  139   2HG1  VAL  15          1HG1      VAL  15  12.669   1.885   2.179
  140   3HG1  VAL  15          2HG1      VAL  15  11.018   2.491   2.221
  141   1HG2  VAL  15          1HG2      VAL  15  12.658   0.998  -1.434
  142   2HG2  VAL  15          2HG2      VAL  15  13.630   0.994   0.031
  143   3HG2  VAL  15          3HG2      VAL  15  12.258  -0.099  -0.120
  144    QG1  VAL  15           QG1      VAL  15  11.668   1.716   2.137
  145    QG2  VAL  15           QG2      VAL  15  12.849   0.631  -0.508
  146    QQG  VAL  15           QQG      VAL  15  12.259   1.173   0.815
  147    NH1  ARG  16           NH2      ARG  16  12.838   6.601   2.020
  148    NH2  ARG  16           NH1      ARG  16  11.700   5.614   3.741
  149    H    ARG  16           HN       ARG  16   9.852   4.222  -0.952
  150    HA   ARG  16           HA       ARG  16   8.657   5.283   1.381
  151   1HB   ARG  16          2HB       ARG  16   8.194   6.079  -1.493
  152   2HB   ARG  16          3HB       ARG  16   7.696   7.032  -0.101
  153   1HG   ARG  16          2HG       ARG  16  10.563   6.219  -0.747
  154   2HG   ARG  16          3HG       ARG  16   9.885   7.824  -0.969
  155   1HD   ARG  16          2HD       ARG  16  10.932   8.052   1.123
  156   2HD   ARG  16          3HD       ARG  16   9.294   7.630   1.607
  157    HE   ARG  16           HE       ARG  16  10.206   5.192   1.736
  158   1HH1  ARG  16          2HH2      ARG  16  12.824   6.927   1.075
  159   2HH1  ARG  16          1HH2      ARG  16  13.679   6.655   2.552
  160   1HH2  ARG  16          1HH1      ARG  16  10.838   5.190   4.056
  161   2HH2  ARG  16          2HH1      ARG  16  12.488   5.652   4.355
  162    QB   ARG  16           QB       ARG  16   7.945   6.555  -0.797
  163    QG   ARG  16           QG       ARG  16  10.224   7.021  -0.858
  164    QD   ARG  16           QD       ARG  16  10.113   7.841   1.365
  165    QH1  ARG  16           QH2      ARG  16  13.251   6.791   1.814
  166    QH2  ARG  16           QH1      ARG  16  11.663   5.421   4.205
  167    H    ALA  17           HN       ALA  17   7.202   3.125  -0.849
  168    HA   ALA  17           HA       ALA  17   4.472   3.806   0.020
  169   1HB   ALA  17          2HB       ALA  17   5.550   1.382  -1.469
  170   2HB   ALA  17          3HB       ALA  17   3.845   1.752  -1.236
  171   3HB   ALA  17          1HB       ALA  17   4.854   2.814  -2.211
  172    QB   ALA  17           QB       ALA  17   4.750   1.982  -1.639
  173    H    LYS  18           HN       LYS  18   6.931   1.354   0.642
  174    HA   LYS  18           HA       LYS  18   5.431  -0.249   2.455
  175   1HB   LYS  18          2HB       LYS  18   7.458  -1.219   1.756
  176   2HB   LYS  18          3HB       LYS  18   8.372   0.255   2.001
  177   1HG   LYS  18          2HG       LYS  18   7.137  -0.991   4.427
  178   2HG   LYS  18          3HG       LYS  18   8.511  -1.820   3.706
  179   1HD   LYS  18          2HD       LYS  18   9.913   0.140   3.915
  180   2HD   LYS  18          3HD       LYS  18   8.569   1.139   4.395
  181   1HE   LYS  18          2HE       LYS  18   8.283  -0.611   6.339
  182   2HE   LYS  18          3HE       LYS  18   9.965  -0.989   5.982
  183   1HZ   LYS  18          2HZ       LYS  18   9.725   1.815   6.094
  184   2HZ   LYS  18          3HZ       LYS  18   8.912   1.141   7.445
  185   3HZ   LYS  18          1HZ       LYS  18  10.539   0.771   7.174
  186    QB   LYS  18           QB       LYS  18   7.915  -0.482   1.879
  187    QG   LYS  18           QG       LYS  18   7.824  -1.405   4.066
  188    QD   LYS  18           QD       LYS  18   9.241   0.639   4.155
  189    QE   LYS  18           QE       LYS  18   9.124  -0.800   6.160
  190    QZ   LYS  18           QZ       LYS  18   9.725   1.242   6.904
  191    H    ASP  19           HN       ASP  19   7.541   2.557   2.992
  192    HA   ASP  19           HA       ASP  19   7.349   2.645   5.792
  193   1HB   ASP  19          2HB       ASP  19   7.373   5.028   3.914
  194   2HB   ASP  19          3HB       ASP  19   7.873   5.014   5.602
  195    QB   ASP  19           QB       ASP  19   7.623   5.021   4.758
  196    H    LEU  20           HN       LEU  20   5.113   3.996   3.413
  197    HA   LEU  20           HA       LEU  20   3.381   5.116   5.445
  198   1HB   LEU  20          2HB       LEU  20   3.463   5.954   3.086
  199   2HB   LEU  20          3HB       LEU  20   2.736   4.449   2.548
  200    HG   LEU  20           HG       LEU  20   0.716   4.922   3.916
  201   1HD1  LEU  20          1HD1      LEU  20   2.117   7.553   4.565
  202   2HD1  LEU  20          2HD1      LEU  20   0.451   7.161   4.968
  203   3HD1  LEU  20          3HD1      LEU  20   1.759   6.271   5.716
  204   1HD2  LEU  20          1HD2      LEU  20   1.557   7.223   2.109
  205   2HD2  LEU  20          2HD2      LEU  20   0.806   5.726   1.578
  206   3HD2  LEU  20          3HD2      LEU  20  -0.101   6.856   2.577
  207    QB   LEU  20           QB       LEU  20   3.099   5.201   2.817
  208    QD1  LEU  20           QD1      LEU  20   1.442   6.995   5.083
  209    QD2  LEU  20           QD2      LEU  20   0.754   6.601   2.088
  210    QQD  LEU  20           QQD      LEU  20   1.098   6.798   3.585
  211    H    ALA  21           HN       ALA  21   2.989   2.290   3.266
  212    HA   ALA  21           HA       ALA  21   0.578   1.300   4.386
  213   1HB   ALA  21          2HB       ALA  21   1.648   0.252   2.391
  214   2HB   ALA  21          3HB       ALA  21   2.940  -0.366   3.415
  215   3HB   ALA  21          1HB       ALA  21   1.294  -0.949   3.623
  216    QB   ALA  21           QB       ALA  21   1.961  -0.355   3.143
  217    H    GLU  22           HN       GLU  22   3.914   0.799   5.414
  218    HA   GLU  22           HA       GLU  22   3.278  -0.904   7.619
  219   1HB   GLU  22          2HB       GLU  22   5.598  -0.599   6.671
  220   2HB   GLU  22          3HB       GLU  22   5.632   0.992   7.422
  221   1HG   GLU  22          2HG       GLU  22   4.881  -0.400   9.592
  222   2HG   GLU  22          3HG       GLU  22   5.637  -1.722   8.720
  223    QB   GLU  22           QB       GLU  22   5.615   0.197   7.046
  224    QG   GLU  22           QG       GLU  22   5.259  -1.061   9.156
  225    H    LYS  23           HN       LYS  23   4.321   2.502   7.699
  226    HA   LYS  23           HA       LYS  23   3.897   3.181  10.304
  227   1HB   LYS  23          2HB       LYS  23   4.615   4.832   8.684
  228   2HB   LYS  23          3HB       LYS  23   3.105   4.698   7.803
  229   1HG   LYS  23          2HG       LYS  23   3.021   6.728   9.089
  230   2HG   LYS  23          3HG       LYS  23   1.907   5.596   9.823
  231   1HD   LYS  23          2HD       LYS  23   3.844   4.950  11.403
  232   2HD   LYS  23          3HD       LYS  23   4.662   6.393  10.810
  233   1HE   LYS  23          2HE       LYS  23   1.929   6.270  12.130
  234   2HE   LYS  23          3HE       LYS  23   3.396   6.925  12.851
  235   1HZ   LYS  23          3HZ       LYS  23   3.068   8.201  10.407
  236   2HZ   LYS  23          1HZ       LYS  23   1.534   8.166  11.119
  237   3HZ   LYS  23          2HZ       LYS  23   2.856   8.879  11.950
  238    QB   LYS  23           QB       LYS  23   3.860   4.765   8.243
  239    QG   LYS  23           QG       LYS  23   2.464   6.162   9.456
  240    QD   LYS  23           QD       LYS  23   4.253   5.672  11.107
  241    QE   LYS  23           QE       LYS  23   2.662   6.597  12.490
  242    QZ   LYS  23           QZ       LYS  23   2.486   8.415  11.159
  243    H    LEU  24           HN       LEU  24   1.360   3.106   7.868
  244    HA   LEU  24           HA       LEU  24  -0.813   3.942   9.459
  245   1HB   LEU  24          2HB       LEU  24  -0.651   1.864   7.222
  246   2HB   LEU  24          3HB       LEU  24  -2.172   2.517   7.814
  247    HG   LEU  24           HG       LEU  24   0.112   4.194   6.702
  248   1HD1  LEU  24          1HD1      LEU  24  -2.538   3.407   5.454
  249   2HD1  LEU  24          2HD1      LEU  24  -1.368   4.517   4.757
  250   3HD1  LEU  24          3HD1      LEU  24  -0.961   2.817   4.947
  251   1HD2  LEU  24          3HD2      LEU  24  -2.742   4.890   7.446
  252   2HD2  LEU  24          1HD2      LEU  24  -1.308   5.368   8.338
  253   3HD2  LEU  24          2HD2      LEU  24  -1.568   5.984   6.731
  254    QB   LEU  24           QB       LEU  24  -1.411   2.191   7.518
  255    QD1  LEU  24           QD1      LEU  24  -1.622   3.580   5.053
  256    QD2  LEU  24           QD2      LEU  24  -1.873   5.414   7.505
  257    QQD  LEU  24           QQD      LEU  24  -1.748   4.497   6.279
  258    H    SER  25           HN       SER  25   0.577   0.712   9.258
  259    HA   SER  25           HA       SER  25  -1.373  -0.748  10.650
  260   1HB   SER  25          2HB       SER  25   1.637  -1.064  10.910
  261   2HB   SER  25          3HB       SER  25   0.418  -2.320  11.210
  262    HG   SER  25           HG       SER  25   1.293  -1.193   8.815
  263    QB   SER  25           QB       SER  25   1.027  -1.692  11.060
  264    H    ASN  26           HN       ASN  26   0.423   1.833  11.811
  265    HA   ASN  26           HA       ASN  26  -0.183   1.134  14.651
  266   1HB   ASN  26          2HB       ASN  26   1.983   2.828  13.382
  267   2HB   ASN  26          3HB       ASN  26   1.551   3.012  15.082
  268   1HD2  ASN  26          2HD2      ASN  26   3.658  -0.239  13.905
  269   2HD2  ASN  26          1HD2      ASN  26   3.075   0.868  12.758
  270    QB   ASN  26           QB       ASN  26   1.767   2.920  14.232
  271    QD2  ASN  26           QD2      ASN  26   3.367   0.315  13.332
  272    H    GLU  27           HN       GLU  27  -0.225   3.769  12.246
  273    HA   GLU  27           HA       GLU  27  -1.614   5.532  14.131
  274   1HB   GLU  27          2HB       GLU  27  -1.712   7.107  12.192
  275   2HB   GLU  27          3HB       GLU  27  -0.095   6.583  12.596
  276   1HG   GLU  27          2HG       GLU  27   0.022   5.223  10.667
  277   2HG   GLU  27          3HG       GLU  27  -1.724   5.337  10.413
  278    QB   GLU  27           QB       GLU  27  -0.903   6.845  12.394
  279    QG   GLU  27           QG       GLU  27  -0.851   5.280  10.540
  280    NH1  ARG  28           NH2      ARG  28  -6.750   7.363   9.093
  281    NH2  ARG  28           NH1      ARG  28  -4.683   8.359   9.085
  282    H    ARG  28           HN       ARG  28  -2.672   3.113  12.046
  283    HA   ARG  28           HA       ARG  28  -5.366   4.374  11.865
  284   1HB   ARG  28          2HB       ARG  28  -3.831   2.558  10.133
  285   2HB   ARG  28          3HB       ARG  28  -5.486   2.026  10.387
  286   1HG   ARG  28          2HG       ARG  28  -5.241   3.570   8.413
  287   2HG   ARG  28          3HG       ARG  28  -6.360   4.168   9.632
  288   1HD   ARG  28          2HD       ARG  28  -4.628   5.658  10.544
  289   2HD   ARG  28          3HD       ARG  28  -3.438   5.007   9.420
  290    HE   ARG  28           HE       ARG  28  -4.801   6.035   7.578
  291   1HH1  ARG  28          2HH2      ARG  28  -7.295   6.528   9.015
  292   2HH1  ARG  28          1HH2      ARG  28  -7.207   8.233   9.316
  293   1HH2  ARG  28          2HH1      ARG  28  -3.679   8.246   9.032
  294   2HH2  ARG  28          1HH1      ARG  28  -5.084   9.271   9.268
  295    QB   ARG  28           QB       ARG  28  -4.658   2.292  10.260
  296    QG   ARG  28           QG       ARG  28  -5.801   3.869   9.023
  297    QD   ARG  28           QD       ARG  28  -4.033   5.333   9.982
  298    QH1  ARG  28           QH2      ARG  28  -7.251   7.380   9.165
  299    QH2  ARG  28           QH1      ARG  28  -4.381   8.758   9.150
  300    H    ASP  29           HN       ASP  29  -7.052   2.484  11.712
  301    HA   ASP  29           HA       ASP  29  -7.310   1.543  14.429
  302   1HB   ASP  29          2HB       ASP  29  -9.416   0.425  13.286
  303   2HB   ASP  29          3HB       ASP  29  -9.335   2.176  13.419
  304    QB   ASP  29           QB       ASP  29  -9.376   1.301  13.352
  305    H    ASP  30           HN       ASP  30  -7.421  -0.371  11.422
  306    HA   ASP  30           HA       ASP  30  -6.079  -2.617  12.905
  307   1HB   ASP  30          2HB       ASP  30  -8.215  -3.456  12.376
  308   2HB   ASP  30          3HB       ASP  30  -8.281  -2.600  10.845
  309    QB   ASP  30           QB       ASP  30  -8.248  -3.028  11.610
  310    H    PHE  31           HN       PHE  31  -6.514  -1.068   9.845
  311    HA   PHE  31           HA       PHE  31  -5.288  -1.585   7.801
  312   1HB   PHE  31          2HB       PHE  31  -5.073   0.748   8.779
  313   2HB   PHE  31          3HB       PHE  31  -3.510   0.251   9.428
  314    HD1  PHE  31          1HD       PHE  31  -1.733  -0.626   7.752
  315    HD2  PHE  31          2HD       PHE  31  -5.276   1.406   6.510
  316    HE1  PHE  31          1HE       PHE  31  -0.797  -0.355   5.509
  317    HE2  PHE  31          2HE       PHE  31  -4.316   1.689   4.268
  318    HZ   PHE  31           HZ       PHE  31  -2.094   0.774   3.760
  319    QB   PHE  31           QB       PHE  31  -4.292   0.500   9.104
  320    QR   PHE  31           QR       PHE  31  -3.031   0.529   6.010
  321    H    GLN  32           HN       GLN  32  -4.446  -3.617   7.538
  322    HA   GLN  32           HA       GLN  32  -1.666  -4.021   8.574
  323   1HB   GLN  32          2HB       GLN  32  -3.763  -6.070   7.717
  324   2HB   GLN  32          3HB       GLN  32  -2.104  -6.468   8.166
  325   1HG   GLN  32          2HG       GLN  32  -2.523  -5.355  10.406
  326   2HG   GLN  32          3HG       GLN  32  -4.215  -5.191   9.948
  327   1HE2  GLN  32          2HE2      GLN  32  -4.801  -8.366  11.326
  328   2HE2  GLN  32          1HE2      GLN  32  -5.258  -6.727  11.223
  329    QB   GLN  32           QB       GLN  32  -2.933  -6.269   7.942
  330    QG   GLN  32           QG       GLN  32  -3.369  -5.273  10.177
  331    QE2  GLN  32           QE2      GLN  32  -5.030  -7.546  11.275
  332    OH   TYR  33           OH       TYR  33   5.337  -3.249   7.000
  333    H    TYR  33           HN       TYR  33  -0.207  -5.030   6.901
  334    HA   TYR  33           HA       TYR  33  -1.196  -4.811   4.132
  335   1HB   TYR  33          2HB       TYR  33   0.352  -3.121   3.440
  336   2H