*HEADER    MEMBRANE PROTEIN                        15-OCT-04   1WRG              
*TITLE     LIGHT-HARVESTING COMPLEX 1 BETA SUBUNIT FROM WILD-TYPE                
*TITLE    2 RHODOSPIRILLUM RUBRUM                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIGHT-HARVESTING PROTEIN B-880, BETA CHAIN;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LH-1; ANTENNA PIGMENT PROTEIN, BETA CHAIN                   
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    MEMBRANE PROTEIN, LIGHT-HARVESTING, PIGMENT BINDING,                  
*KEYWDS   2 PHOTOSYNTHESIS                                                       
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Z.-Y.WANG, K.GOKAN, M.KOBAYASHI, T.NOZAWA                             
*REVDAT   1   15-MAR-05 1WRG    0                                                

! RRU LH1 beta noe.pck   Tue Nov 5 2003

!A1

!E2
assign (resid 2 and name HN) (resid 1 and name HB#) 3.0 1.2 1.5     !# 1
assign (resid 2 and name HN) (resid 1 and name HA) 3.0 1.2 1.5      !# 1
assign (resid 2 and name HN) (resid 2 and name HG#) 3.0 1.2 1.5     !# 1  
assign (resid 2 and name HN) (resid 2 and name HB#) 3.0 1.2 1.5     !# 2  
assign (resid 2 and name HN) (resid 2 and name HA) 3.0 1.2 1.5     !# 5
assign (resid 3 and name HN) (resid 3 and name HN) 4.0 2.2 1.5     !# 4    

!V3
assign (resid 3 and name HN) (resid 3 and name HG#) 4.0 2.2 1.5     !# 4  68
assign (resid 3 and name HN) (resid 3 and name HB) 3.0 1.2 1.5     !# 5  194
assign (resid 3 and name HN) (resid 3 and name HA) 3.0 1.2 1.5     !# 8  153

!K4
assign (resid 4 and name HN) (resid 3 and name HG#) 4.0 2.2 1.5     !# 10  33
assign (resid 4 and name HN) (resid 4 and name HG#) 4.0 2.2 1.5     !# 7   51
assign (resid 4 and name HN) (resid 4 and name HB#) 3.0 1.2 1.5     !# 8   104
assign (resid 4 and name HN) (resid 3 and name HB) 4.0 2.2 1.5     !# 11  59
assign (resid 4 and name HN) (resid 3 and name HA) 4.0 2.2 1.5     !# 11  
assign (resid 4 and name HN) (resid 4 and name HA) 3.0 1.2 1.5     !# 9   99
assign (resid 4 and name HN) (resid 5 and name HN) 4.0 2.2 1.5     !# 14  46

!Q5
assign (resid 5 and name HN) (resid 8 and name HD#) 4.0 2.2 2.0     !# 18  27
assign (resid 5 and name HN) (resid 4 and name HB#) 4.0 2.2 1.5     !# 16  67
assign (resid 5 and name HN) (resid 5 and name HB#) 3.0 1.2 1.5     !# 14  108
assign (resid 5 and name HN) (resid 5 and name HG#) 4.0 2.2 1.5     !# 13  55
assign (resid 5 and name HN) (resid 5 and name HA) 3.0 1.2 1.5     !# 15  104
assign (resid 5 and name HN) (resid 4 and name HN) 3.0 1.2 1.5     !# 20  85

!E6
assign (resid 6 and name HN) (resid 6 and name HB#) 3.0 1.2 1.5     !# 21  180
assign (resid 6 and name HN) (resid 6 and name HG1#) 4.0 2.2 1.5    !# 19  48
assign (resid 6 and name HN) (resid 6 and name HG2#) 4.0 2.2 1.5    !# 20  41
assign (resid 6 and name HN) (resid 3 and name HA) 4.0 2.2 1.5     !# 22  56
assign (resid 6 and name HN) (resid 6 and name HA) 3.0 1.2 1.5     !# 22  163
assign (resid 6 and name HN) (resid 7 and name HN) 3.0 1.2 1.5      !# 26  130

!S7
assign (resid 7 and name HN) (resid 8 and name HD#) 4.0 2.2 2.0     !# 30  33
assign (resid 7 and name HN) (resid 8 and name HG) 4.0 2.2 2.0     !# 32  25
assign (resid 7 and name HN) (resid 8 and name HB#) 4.0 2.2 2.0      !# 31  31
assign (resid 7 and name HN) (resid 6 and name HB#) 3.0 1.2 1.5     !# 28  93
assign (resid 7 and name HN) (resid 7 and name HB1) 3.0 1.2 1.5     !# 26  143
assign (resid 7 and name HN) (resid 7 and name HB2) 2.0 0.2 1.5     !# 25  250
assign (resid 7 and name HN) (resid 7 and name HA) 2.0 0.2 1.5     !# 27  204
assign (resid 7 and name HN) (resid 7 and name HG) 3.0 1.2 1.5     !# 24  84
assign (resid 7 and name HN) (resid 6 and name HN) 3.0 1.2 1.5     !# 35  93

!L8
assign (resid 8 and name HN) (resid 8 and name HD#) 3.0 1.2 1.5     !# 33  90
assign (resid 8 and name HN) (resid 8 and name HG) 3.0 1.2 1.5     !# 35  102
assign (resid 8 and name HN) (resid 8 and name HB#) 2.0 0.2 1.5     !# 34  227
assign (resid 8 and name HN) (resid 8 and name HA) 3.0 1.2 1.5     !# 36  180
assign (resid 8 and name HN) (resid 7 and name HB1) 3.0 1.2 1.5     !# 37  81
assign (resid 8 and name HN) (resid 7 and name HA) 4.0 2.2 1.5     !# 41  62

!S9
assign (resid 9 and name HN) (resid 8 and name HD#) 4.0 2.2 1.5     !# 44  42
assign (resid 9 and name HN) (resid 8 and name HG) 4.0 2.2 1.5     !# 46  61
assign (resid 9 and name HN) (resid 8 and name HB#) 3.0 1.2 1.5     !# 45  97
assign (resid 9 and name HN) (resid 5 and name HB#) 4.0 2.2 2.5     !# 43  23
assign (resid 9 and name HN) (resid 9 and name HB1) 3.0 1.2 1.5     !# 41  167
assign (resid 9 and name HN) (resid 9 and name HB2) 2.0 0.2 1.5     !# 40  224
assign (resid 9 and name HN) (resid 9 and name HA) 2.0 0.2 1.5     !# 42  211
assign (resid 9 and name HN) (resid 9 and name HG) 3.0 1.2 1.5     !# 49  83

!G10
assign (resid 10 and name HN) (resid 8 and name HB#) 4.0 2.2 2.5     !# 48  24
assign (resid 10 and name HN) (resid 11 and name HB) 4.0 2.2 2.0    !# 53  17
assign (resid 10 and name HN) (resid 10 and name HA#) 2.0 0.2 1.5   !# 47  378
assign (resid 10 and name HN) (resid 9 and name HB2) 3.0 1.2 1.5    !# 49  80
assign (resid 10 and name HN) (resid 9 and name HA) 4.0 2.2 1.5     !# 50  51
assign (resid 10 and name HN) (resid 9 and name HG) 4.0 2.2 1.5     !# 51  
assign (resid 10 and name HN) (resid 12 and name HN) 4.0 2.2 1.5    !# 56  22

!I11
assign (resid 11 and name HN) (resid 11 and name HD#)  4.0 2.2 1.5  !# 55
assign (resid 11 and name HN) (resid 11 and name HG2#) 4.0 2.2 1.5   !# 56  114  
assign (resid 11 and name HN) (resid 11 and name HG1#) 3.0 1.2 1.5  !# 55  89.6
assign (resid 11 and name HN) (resid 8 and name HB#) 3.0 1.2 1.5    !# 59  145
assign (resid 11 and name HN) (resid 11 and name HB) 2.0 0.2 1.5    !# 57  203
assign (resid 11 and name HN) (resid 11 and name HA) 2.0 0.2 1.5    !# 58  273
assign (resid 11 and name HN) (resid 10 and name HA) 4.0 2.2 1.5    !# 60  63
assign (resid 11 and name HN) (resid 8 and name HA) 4.0 2.2 1.5     !# 60  63
assign (resid 11 and name HN) (resid 7 and name HA) 4.0 2.2 2.5     !# 60  
assign (resid 11 and name HN) (resid 12 and name HN) 3.0 1.2 1.0    !# 66  88

!T12
assign (resid 12 and name HN) (resid 11 and name HG2#) 4.0 2.2 1.5  !# 69  79
assign (resid 12 and name HN) (resid 12 and name HG2#) 3.0 1.2 1.5  !# 63  84
assign (resid 12 and name HN) (resid 8 and name HB#)  4.0 2.2 1.5   !# 66  40
assign (resid 12 and name HN) (resid 11 and name HB) 3.0 1.2 1.5    !# 70  115
assign (resid 12 and name HN) (resid 12 and name HA) 3.0 1.2 1.5    !# 65  158
assign (resid 12 and name HN) (resid 12 and name HB) 3.0 1.2 1.5    !# 64  122
assign (resid 12 and name HN) (resid 12 and name HG1) 3.0 1.2 1.5   !# 62  193
assign (resid 12 and name HN) (resid 10 and name HN) 3.0 1.2 1.5    !# 68  124
assign (resid 12 and name HN) (resid 13 and name HN) 3.0 1.2 1.5    !# 75  120

!E13
assign (resid 13 and name HN) (resid 12 and name HG2#) 4.0 2.2 1.5  !# 75  51
assign (resid 13 and name HN) (resid 16 and name HB#) 4.0 2.2 1.5   !# 79  65
assign (resid 13 and name HN) (resid 13 and name HB#) 3.0 1.2 1.5   !# 73  134
assign (resid 13 and name HN) (resid 13 and name HG#) 3.0 1.2 1.5   !# 72  143 
assign (resid 13 and name HN) (resid 12 and name HA) 3.0 1.2 1.5    !# 77  117 
assign (resid 13 and name HN) (resid 13 and name HA) 3.0 1.2 1.5    !# 74  194 
assign (resid 13 and name HN) (resid 12 and name HB) 3.0 1.2 1.5    !# 76  95   
assign (resid 13 and name HN) (resid 12 and name HN) 3.0 1.2 1.5    !# 83  107 

!G14 
assign (resid 14 and name HN) (resid 11 and name HG2#) 4.0 2.2 2.5 !# 81  21
assign (resid 14 and name HN) (resid 16 and name HB#) 4.0 2.2 1.5   !# 88  40
!assign (resid 14 and name HN) (resid 11 and name HB) 4.0 2.2 2.5    !# 82  29
assign (resid 14 and name HN) (resid 13 and name HB#) 3.0 1.2 1.5   !# 85  92
assign (resid 14 and name HN) (resid 13 and name HG#) 4.0 2.2 1.5   !# 84  74 
assign (resid 14 and name HN) (resid 14 and name HA#) 2.0 0.2 1.5   !# 80  345
assign (resid 14 and name HN) (resid 13 and name HA) 4.0 2.2 1.5    !# 86  74
assign (resid 14 and name HN) (resid 12 and name HN) 4.0 2.2 1.5    !# 83  21
assign (resid 14 and name HN) (resid 15 and name HN) 3.0 1.2 1.5    !# 91  144
 
!E15
assign (resid 15 and name HN) (resid 11 and name HG2#) 4.0 2.2 1.5  !# 92  47
assign (resid 15 and name HN) (resid 16 and name HB#) 4.0 2.2 1.5   !# 95  55
assign (resid 15 and name HN) (resid 17 and name HB#) 4.0 2.2 1.5   !# 96  144
assign (resid 15 and name HN) (resid 15 and name HB#) 2.0 0.2 1.5   !# 90  243
assign (resid 15 and name HN) (resid 15 and name HG#) 3.0 1.2 1.5   !# 89  110 
assign (resid 15 and name HN) (resid 14 and name HA#) 3.0 1.2 1.5   !# 93  169 
assign (resid 15 and name HN) (resid 15 and name HA) 2.0 0.2 1.5    !# 91  268
assign (resid 15 and name HN) (resid 14 and name HN) 2.0 0.2 1.5    !# 94  320 
assign (resid 15 and name HN) (resid 19 and name HN) 4.0 2.2 2.5    !# 100  31

!A16
assign (resid 16 and name HN) (resid 12 and name HG2#) 4.0 2.2 2.5  !# 100  32
assign (resid 16 and name HN) (resid 16 and name HB#) 2.0 0.2 1.5   !# 98  518 
assign (resid 16 and name HN) (resid 15 and name HB#) 3.0 1.2 1.5   !# 103  111
assign (resid 16 and name HN) (resid 15 and name HG#) 3.0 1.2 1.5   !# 102  99
assign (resid 16 and name HN) (resid 19 and name HB#) 4.0 2.2 2.5   !# 106  24
assign (resid 16 and name HN) (resid 12 and name HA) 4.0 2.2 1.5    !# 101  53
assign (resid 16 and name HN) (resid 15 and name HA) 3.0 1.2 1.5    !# 104  170 
assign (resid 16 and name HN) (resid 16 and name HA) 2.0 0.2 1.5    !# 99  232
assign (resid 16 and name HN) (resid 15 and name HN) 2.0 0.2 1.5    !# 105  193 
assign (resid 16 and name HN) (resid 19 and name HN) 4.0 2.2 1.5    !# 110  47

!K17
assign (resid 17 and name HN) (resid 16 and name HB#) 3.0 1.2 1.5   !# 112  168
assign (resid 17 and name HN) (resid 17 and name HG#) 3.0 1.2 1.5   !# 107  110 
assign (resid 17 and name HN) (resid 17 and name HB#) 3.0 1.2 1.5   !# 108  115
assign (resid 17 and name HN) (resid 13 and name HG#) 4.0 2.2 2.5   !# 110  18
assign (resid 17 and name HN) (resid 14 and name HA#) 4.0 2.2 1.5   !# 111  38
assign (resid 17 and name HN) (resid 17 and name HA) 3.0 1.2 1.5    !# 109  136
assign (resid 17 and name HN) (resid 16 and name HA) 4.0 2.2 1.5    !# 113  57
assign (resid 17 and name HN) (resid 19 and name HN) 4.0 2.2 1.5    !# 118  57 

!E18
assign (resid 18 and name HN) (resid 16 and name HB#) 4.0 2.2 2.0   !# 121  51
assign (resid 18 and name HN) (resid 17 and name HG#) 4.0 2.2 1.5   !# 122  64 
assign (resid 18 and name HN) (resid 17 and name HB#) 3.0 1.2 1.5   !# 123  100  
assign (resid 18 and name HN) (resid 18 and name HB1) 2.0 0.2 1.5   !# 116  209
assign (resid 18 and name HN) (resid 18 and name HB2) 2.0 0.2 1.5   !# 117  223
assign (resid 18 and name HN) (resid 18 and name HG#) 3.0 1.2 1.5   !# 115  126
assign (resid 18 and name HN) (resid 14 and name HA#) 4.0 2.2 1.5   !# 119  38
assign (resid 18 and name HN) (resid 15 and name HA) 3.0 1.2 1.5    !# 120  217? 
assign (resid 18 and name HN) (resid 18 and name HA) 2.0 0.2 1.5    !# 118  239
assign (resid 18 and name HN) (resid 20 and name HN) 4.0 2.2 1.5    !# 125  47
assign (resid 18 and name HN) (resid 19 and name HN) 2.0 0.2 1.5    !# 129  215   

!F19
assign (resid 19 and name HN) (resid 22 and name HG2#) 4.0 2.2 2.5  !# 139  31
assign (resid 19 and name HN) (resid 16 and name HB#) 4.0 2.2 2.5   !# 130  44
assign (resid 19 and name HN) (resid 17 and name HG#) 4.0 2.2 3.0   !# 131  19
assign (resid 19 and name HN) (resid 22 and name HB)  4.0 2.2 2.5   !# 140  30
assign (resid 19 and name HN) (resid 18 and name HB1) 3.0 1.2 1.5   !# 133  81 
assign (resid 19 and name HN) (resid 18 and name HB2) 3.0 1.2 1.5   !# 134  112
assign (resid 19 and name HN) (resid 18 and name HG#) 4.0 2.2 1.5   !# 132  47
assign (resid 19 and name HN) (resid 19 and name HB#) 2.0 0.2 1.5   !# 127  335
assign (resid 19 and name HN) (resid 20 and name HB#) 4.0 2.2 2.5   !# 137  25
assign (resid 19 and name HN) (resid 15 and name HA) 3.0 1.2 1.5    !# 129  108
assign (resid 19 and name HN) (resid 16 and name HA) 4.0 2.2 1.5    !# 135 
assign (resid 19 and name HN) (resid 19 and name HA) 2.0 0.2 1.5    !# 128  281
assign (resid 19 and name HN) (resid 19 and name HD#) 4.0 2.2 1.5   !# 126  29     
assign (resid 19 and name HN) (resid 18 and name HN) 2.0 0.2 1.5    !# 136  165 
assign (resid 19 and name HN) (resid 22 and name HN) 4.0 2.2 1.5    !# 141  62 
assign (resid 19 and name HN) (resid 20 and name HN) 3.0 1.2 1.5    !# 138  117
assign (resid 19 and name HN) (resid 23 and name HN) 4.0 2.2 2.5    !# 146  
 
!H20
assign (resid 20 and name HN) (resid 19 and name HB#) 2.0 0.2 1.5   !# 146  421
assign (resid 20 and name HN) (resid 20 and name HB#) 2.0 0.2 1.5   !# 143  281 
assign (resid 20 and name HN) (resid 20 and name HA) 2.0 0.2 1.5    !# 144  219
assign (resid 20 and name HN) (resid 17 and name HA) 4.0 2.2 1.5    !# 150
assign (resid 20 and name HN) (resid 19 and name HD#) 4.0 2.2 2.5   !# 145  22
assign (resid 20 and name HN) (resid 24 and name HN) 4.0 2.2 2.5    !# 151  17     
assign (resid 20 and name HN) (resid 21 and name HN) 2.0 0.2 1.5    !# 148  359
assign (resid 20 and name HN) (resid 23 and name HN) 4.0 2.2 1.5    !# 150  
assign (resid 20 and name HN) (resid 19 and name HN) 2.0 0.2 1.5    !# 155  168 

!K21
assign (resid 21 and name HN) (resid 21 and name HG#) 3.0 1.2 1.5   !# 152  137 
assign (resid 21 and name HN) (resid 21 and name HB#) 2.0 0.2 1.5   !# 153  304
assign (resid 21 and name HN) (resid 20 and name HB#) 3.0 1.2 1.5   !# 156  106 
assign (resid 21 and name HN) (resid 21 and name HA) 2.0 0.2 1.5    !# 154  203
assign (resid 21 and name HN) (resid 18 and name HA) 4.0 2.2 1.5    !# 157  
assign (resid 21 and name HN) (resid 20 and name HA) 4.0 2.2 1.5    !# 157  38  
assign (resid 21 and name HN) (resid 20 and name HN) 3.0 1.2 1.5    !# 158   
assign (resid 21 and name HN) (resid 23 and name HN) 4.0 2.2 1.5    !# 159  
assign (resid 21 and name HN) (resid 19 and name HN) 4.0 2.2 1.5    !# 164
 
!I22
assign (resid 22 and name HN) (resid 22 and name HD#) 4.0 2.2 1.5   !# 160  
assign (resid 22 and name HN) (resid 22 and name HG2#) 3.0 1.2 1.5  !# 161  227
assign (resid 22 and name HN) (resid 22 and name HG1#) 4.0 2.2 1.5  !# 160  120 
assign (resid 22 and name HN) (resid 22 and name HB) 2.0 0.2 1.5    !# 163  284
assign (resid 22 and name HN) (resid 21 and name HB#) 3.0 1.2 1.5   !# 168  99 
assign (resid 22 and name HN) (resid 22 and name HA) 3.0 1.2 1.5    !# 164  150
assign (resid 22 and name HN) (resid 21 and name HA) 3.0 1.2 1.5    !# 169
assign (resid 22 and name HN) (resid 19 and name HA) 4.0 2.2 1.5    !# 166  69
assign (resid 22 and name HN) (resid 25 and name HN) 4.0 2.2 1.5    !# 171  24
assign (resid 22 and name HN) (resid 18 and name HN) 4.0 2.2 2.5    !# 165
assign (resid 22 and name HN) (resid 23 and name HN) 2.0 0.2 1.5    !# 170  164
assign (resid 22 and name HN) (resid 19 and name HN) 4.0 2.2 1.5    !# 176  51

!F23
assign (resid 23 and name HN) (resid 22 and name HG2#) 3.0 1.2 1.5  !# 180  151
assign (resid 23 and name HN) (resid 22 and name HG1#) 4.0 2.2 2.5  !# 179  28
assign (resid 23 and name HN) (resid 24 and name HG2#) 4.0 2.2 2.0  !# 184  19
assign (resid 23 and name HN) (resid 22 and name HB) 3.0 1.2 1.5    !# 181  160
assign (resid 23 and name HN) (resid 23 and name HB1) 2.0 0.2 1.5   !# 173  257
assign (resid 23 and name HN) (resid 23 and name HB2) 2.0 0.2 1.5   !# 174  338
assign (resid 23 and name HN) (resid 22 and name HA) 4.0 2.2 1.5    !# 182  67
assign (resid 23 and name HN) (resid 23 and name HA) 2.0 0.2 1.5    !# 175  306
assign (resid 23 and name HN) (resid 20 and name HA) 3.0 1.2 1.5    !# 177  96
assign (resid 23 and name HN) (resid 24 and name HG1) 4.0 2.2 2.5   !# 185  33 
assign (resid 23 and name HN) (resid 23 and name HD1) 4.0 2.2 1.5   !# 172  37
assign (resid 23 and name HN) (resid 23 and name HD2) 4.0 2.2 1.5   !# 172  
assign (resid 23 and name HN) (resid 25 and name HN) 4.0 2.2 1.5    !# 187  28
assign (resid 23 and name HN) (resid 24 and name HN)  3.0 1.2 1.5   !# 186  152
assign (resid 23 and name HN) (resid 22 and name HN) 2.0 0.2 1.5    !# 183  209
assign (resid 23 and name HN) (resid 21 and name HN) 4.0 2.2 1.5    !# 178
assign (resid 23 and name HN) (resid 19 and name HN) 4.0 2.2 2.5    !# 193  70  

!T24
assign (resid 24 and name HN) (resid 27 and name HD#) 4.0 2.2 2.5   !# 203  24
assign (resid 24 and name HN) (resid 22 and name HG2#) 4.0 2.2 2.5  !# 195  37
assign (resid 24 and name HN) (resid 24 and name HG2#) 3.0 1.2 1.5  !# 189  125
assign (resid 24 and name HN) (resid 27 and name HB) 4.0 2.2 1.5    !# 204  42
assign (resid 24 and name HN) (resid 23 and name HB1) 3.0 1.2 1.5   !# 198  131  
assign (resid 24 and name HN) (resid 23 and name HB2) 3.0 1.2 1.5   !# 199  109
assign (resid 24 and name HN) (resid 20 and name HB#) 4.0 2.2 2.5   !# 193  25
assign (resid 24 and name HN) (resid 24 and name HA) 2.0 0.2 1.5    !# 191  209
assign (resid 24 and name HN) (resid 21 and name HA) 4.0 2.2 1.5    !# 204  
assign (resid 24 and name HN) (resid 24 and name HB) 2.0 0.2 1.5    !# 190  251 
assign (resid 24 and name HN) (resid 20 and name HA) 4.0 2.2 1.5    !# 194  58
assign (resid 24 and name HN) (resid 24 and name HG1) 2.0 0.2 1.5   !# 188  250
assign (resid 24 and name HN) (resid 23 and name HD1) 4.0 2.2 2.5   !# 197  29  
assign (resid 24 and name HN) (resid 27 and name HN) 4.0 2.2 2.5    !# 205  19
assign (resid 24 and name HN) (resid 26 and name HN) 4.0 2.2 1.5    !# 202  41
assign (resid 24 and name HN) (resid 25 and name HN) 3.0 1.2 1.5    !# 201  122
assign (resid 24 and name HN) (resid 22 and name HN) 4.0 2.2 1.5    !# 196    
assign (resid 24 and name HN) (resid 23 and name HN) 3.0 1.2 1.5    !# 211  135

!S25
assign (resid 25 and name HN) (resid 28 and name HD#) 4.0 2.2 2.5  !# 211  52
!assign (resid 25 and name HN) (resid 22 and name HD#) 4.0 2.2 1.5   !# 210  31
assign (resid 25 and name HN) (resid 24 and name HG2#) 4.0 2.2 1.5  !# 214  51
assign (resid 25 and name HN) (resid 27 and name HB) 4.0 2.2 2.5    !# 218  31
assign (resid 25 and name HN) (resid 28 and name HB) 4.0 2.2 2.5    !# 220  27
assign (resid 25 and name HN) (resid 24 and name HA) 3.0 1.2 1.5    !# 215  94
assign (resid 25 and name HN) (resid 25 and name HB#) 3.0 1.2 1.5   !# 207  121 
assign (resid 25 and name HN) (resid 25 and name HA) 2.0 0.2 1.5    !# 208  415
assign (resid 25 and name HN) (resid 25 and name HG) 3.0 1.2 1.5    !# 206  178
assign (resid 25 and name HN) (resid 27 and name HN) 4.0 2.2 1.5    !# 219
assign (resid 25 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 221
assign (resid 25 and name HN) (resid 26 and name HN) 2.0 0.2 1.5    !# 217  180
assign (resid 25 and name HN) (resid 24 and name HN) 3.0 1.2 1.5    !# 216
assign (resid 25 and name HN) (resid 22 and name HN) 4.0 2.2 1.5    !# 212 
assign (resid 25 and name HN) (resid 21 and name HN) 4.0 2.2 2.5    !# 209   
assign (resid 25 and name HN) (resid 23 and name HN) 4.0 2.2 1.5    !# 226  
     
!S26
assign (resid 26 and name HN) (resid 27 and name HD#) 4.0 2.2 2.5   !# 225  25
assign (resid 26 and name HN) (resid 22 and name HG2#) 4.0 2.2 1.5  !# 225  91
assign (resid 26 and name HN) (resid 22 and name HB) 4.0 2.2 1.5    !# 226  74
assign (resid 26 and name HN) (resid 29 and name HB) 4.0 2.2 1.5    !# 235  29
assign (resid 26 and name HN) (resid 24 and name HA) 4.0 2.2 1.5    !# 229  79
assign (resid 26 and name HN) (resid 26 and name HB#) 3.0 1.2 1.5   !# 223  172 
assign (resid 26 and name HN) (resid 26 and name HA) 2.0 0.2 1.5    !# 224  538
assign (resid 26 and name HN) (resid 26 and name HG) 3.0 1.2 1.5    !# 222  116
assign (resid 26 and name HN) (resid 27 and name HN) 2.0 0.2 1.5    !# 233  201
assign (resid 26 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 234  45
assign (resid 26 and name HN) (resid 25 and name HN) 2.0 0.2 1.5    !# 231  217
assign (resid 26 and name HN) (resid 24 and name HN) 4.0 2.2 1.5    !# 230  42
assign (resid 26 and name HN) (resid 22 and name HN) 4.0 2.2 1.5    !# 227  35
assign (resid 26 and name HN) (resid 23 and name HN) 4.0 2.2 1.5    !# 240  42  

!I27
assign (resid 27 and name HN) (resid 27 and name HD#)  3.0 1.2 1.5  !# 236  107
assign (resid 27 and name HN) (resid 27 and name HG2#) 3.0 1.2 1.5  !# 238  160 
assign (resid 27 and name HN) (resid 27 and name HG1#) 3.0 1.2 1.5  !# 237  166
assign (resid 27 and name HN) (resid 24 and name HG2#) 4.0 2.2 2.5  !# 241  29 
assign (resid 27 and name HN) (resid 27 and name HB)  2.0 0.2 1.5   !# 239  349
assign (resid 27 and name HN) (resid 30 and name HB#) 4.0 2.2 1.5   !# 249  38 
assign (resid 27 and name HN) (resid 27 and name HA)  2.0 0.2 1.5   !# 240  271
assign (resid 27 and name HN) (resid 26 and name HB#) 4.0 2.2 1.5   !# 244  51
assign (resid 27 and name HN) (resid 26 and name HA) 3.0 1.2 1.5    !# 245  147
assign (resid 27 and name HN) (resid 26 and name HG) 4.0 2.2 1.5    !# 243  37
assign (resid 27 and name HN) (resid 28 and name HN) 2.0 0.2 1.5    !# 247  223
assign (resid 27 and name HN) (resid 26 and name HN) 3.0 1.2 1.5    !# 246  133  
assign (resid 27 and name HN) (resid 29 and name HN) 3.0 1.2 1.5    !# 248  76
assign (resid 27 and name HN) (resid 24 and name HN) 4.0 2.2 1.5    !# 242    
assign (resid 27 and name HN) (resid 31 and name HN) 4.0 2.2 2.5    !# 255  
 
!L28
assign (resid 28 and name HN) (resid 27 and name HD#)  4.0 2.2 1.5  !# 258  40
assign (resid 28 and name HN) (resid 27 and name HG2#) 4.0 2.2 1.5  !# 260  
assign (resid 28 and name HN) (resid 28 and name HD#) 2.0 0.2 1.5   !# 251  240
assign (resid 28 and name HN) (resid 24 and name HG2#) 4.0 2.2 1.5  !# 255  40
assign (resid 28 and name HN) (resid 27 and name HG1#) 4.0 2.2 1.5  !# 259    
assign (resid 28 and name HN) (resid 28 and name HB#) 3.0 1.2 1.5   !# 253  165
assign (resid 28 and name HN) (resid 27 and name HB) 2.0 0.2 1.5    !# 261  396
assign (resid 28 and name HN) (resid 28 and name HG) 3.0 1.2 1.5    !# 252
assign (resid 28 and name HN) (resid 30 and name HB#) 4.0 2.2 1.5   !# 266  42
assign (resid 28 and name HN) (resid 27 and name HA) 3.0 1.2 1.5    !# 262  107 
assign (resid 28 and name HN) (resid 28 and name HA) 2.0 0.2 1.5    !# 254  255
assign (resid 28 and name HN) (resid 26 and name HG) 4.0 2.2 1.5    !# 256  54
assign (resid 28 and name HN) (resid 27 and name HN) 2.0 0.2 1.5    !# 263  220
assign (resid 28 and name HN) (resid 26 and name HN) 4.0 2.2 1.5    !# 257  34 
assign (resid 28 and name HN) (resid 29 and name HN) 2.0 0.2 1.5    !# 265  192
assign (resid 28 and name HN) (resid 32 and name HN) 4.0 2.2 2.5    !# 268
assign (resid 28 and name HN) (resid 31 and name HN) 4.0 2.2 1.5    !# 272   

!V29
assign (resid 29 and name HN) (resid 29 and name HG1#) 2.0 0.2 1.5  !# 269  428
assign (resid 29 and name HN) (resid 29 and name HG2#) 2.0 0.2 1.5  !# 270  256
assign (resid 29 and name HN) (resid 28 and name HB#)  4.0 2.2 1.5  !# 276  87
assign (resid 29 and name HN) (resid 28 and name HG)  3.0 1.2 1.5   !# 275  110
assign (resid 29 and name HN) (resid 29 and name HB)  2.0 0.2 1.5   !# 271  306
assign (resid 29 and name HN) (resid 30 and name HB#)  4.0 2.2 1.5  !# 279  54
assign (resid 29 and name HN) (resid 29 and name HA)  2.0 0.2 1.5   !# 272  289
assign (resid 29 and name HN) (resid 32 and name HA#)  4.0 2.2 2.5  !# 281  32
assign (resid 29 and name HN) (resid 28 and name HA)  2.0 0.2 1.5   !# 277  255
assign (resid 29 and name HN) (resid 27 and name HN)  4.0 2.2 1.5   !# 274  37
assign (resid 29 and name HN) (resid 28 and name HN)  3.0 1.2 1.5   !# 278  183
assign (resid 29 and name HN) (resid 32 and name HN)  4.0 2.2 1.5   !# 282  36
assign (resid 29 and name HN) (resid 31 and name HN)  4.0 2.2 1.5   !# 285  58

!F30
assign (resid 30 and name HN) (resid 29 and name HG#) 3.0 1.2 1.5  !# 284  162
assign (resid 30 and name HN) (resid 29 and name HB) 3.0 1.2 1.5    !# 286  168
assign (resid 30 and name HN) (resid 30 and name HB#) 2.0 0.2 1.5   !# 287  513
assign (resid 30 and name HN) (resid 29 and name HA) 3.0 1.2 1.5    !# 288  177
assign (resid 30 and name HN) (resid 26 and name HA) 4.0 2.2 1.5    !# 283  
assign (resid 30 and name HN) (resid 30 and name HA) 2.0 0.2 1.5    !# 289  426
assign (resid 30 and name HN) (resid 30 and name HD#) 4.0 2.2 1.5   !# 290  26
assign (resid 30 and name HN) (resid 27 and name HN) 4.0 2.2 2.5   !# 291  17
assign (resid 30 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 292  51
assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 1.5    !# 293  56
assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 1.5    !# 296  187

!F31
!assign (resid 31 and name HN) (resid 29 and name HG2#) 4.0 2.2 1.5  !# 296  66
!assign (resid 31 and name HN) (resid 29 and name HG1#) 4.0 2.2 1.5  !# 297  30
assign (resid 31 and name HN) (resid 34 and name HB#) 4.0 2.2 1.5   !# 298  70
assign (resid 31 and name HN) (resid 27 and name HB) 4.0 2.2 2.5    !# 299  27
assign (resid 31 and name HN) (resid 33 and name HB) 4.0 2.2 2.5    !# 300  33
assign (resid 31 and name HN) (resid 31 and name HB#) 2.0 0.2 1.5   !# 301  602
assign (resid 31 and name HN) (resid 27 and name HA) 3.0 1.2 1.5    !# 302  96
assign (resid 31 and name HN) (resid 32 and name HA) 4.0 2.2 2.5    !# 303  29
assign (resid 31 and name HN) (resid 31 and name HA) 2.0 0.2 1.5    !# 304  388
assign (resid 31 and name HN) (resid 30 and name HD#) 4.0 2.2 1.5   !# 305  37
assign (resid 31 and name HN) (resid 31 and name HD#) 4.0 2.2 1.5   !# 306  43
assign (resid 31 and name HN) (resid 27 and name HN) 4.0 2.2 2.5    !# 307  32
assign (resid 31 and name HN) (resid 28 and name HN) 3.0 1.2 1.5    !# 308  
assign (resid 31 and name HN) (resid 30 and name HN) 2.0 0.2 1.5    !# 309  172
assign (resid 31 and name HN) (resid 32 and name HN) 2.0 0.2 1.5    !# 309  292

!G32
!assign (resid 32 and name HN) (resid 29 and name HG2#) 4.0 2.2 1.5  !# 311  48
!assign (resid 32 and name HN) (resid 29 and name HG1#) 4.0 2.2 1.5  !# 312  63
assign (resid 32 and name HN) (resid 34 and name HB#) 4.0 2.2 2.5   !# 313  22
assign (resid 32 and name HN) (resid 35 and name HB#) 4.0 2.2 1.5   !# 314  60
assign (resid 32 and name HN) (resid 33 and name HB) 4.0 2.2 1.5    !# 315  36
assign (resid 32 and name HN) (resid 31 and name HB#) 3.0 1.2 1.5   !# 316  159
assign (resid 32 and name HN) (resid 29 and name HA) 3.0 1.2 1.5    !# 317  126
assign (resid 32 and name HN) (resid 32 and name HA#) 2.0 0.2 1.5   !# 318  381
assign (resid 32 and name HN) (resid 31 and name HA) 3.0 1.2 1.5    !# 319  86
assign (resid 32 and name HN) (resid 30 and name HN) 4.0 2.2 1.5    !# 320  56
assign (resid 32 and name HN) (resid 35 and name HN) 4.0 2.2 1.5    !# 318  315?

!V33
assign (resid 33 and name HN) (resid 29 and name HG#) 4.0 2.2 1.5 !# 322
assign (resid 33 and name HN) (resid 33 and name HG1#) 3.0 1.2 1.5  !# 323  475
assign (resid 33 and name HN) (resid 33 and name HG2#) 3.0 1.2 1.5  !# 324  222  
assign (resid 33 and name HN) (resid 34 and name HB#) 4.0 2.2 1.5   !# 325  43
assign (resid 33 and name HN) (resid 35 and name HB#) 4.0 2.2 2.5   !# 326  32
assign (resid 33 and name HN) (resid 33 and name HB)  2.0 0.2 1.5   !# 327  306
assign (resid 33 and name HN) (resid 31 and name HB#)  4.0 2.2 1.5  !# 328  42
assign (resid 33 and name HN) (resid 33 and name HA)  2.0 0.2 1.5   !# 329  259
assign (resid 33 and name HN) (resid 32 and name HA#) 3.0 1.2 1.5   !# 330  104
assign (resid 33 and name HN) (resid 30 and name HA) 4.0 2.2 1.5    !# 331  65
assign (resid 33 and name HN) (resid 29 and name HN) 4.0 2.2 2.5    !# 332  
assign (resid 33 and name HN) (resid 34 and name HN) 2.0 0.2 1.5    !# 333  191
assign (resid 33 and name HN) (resid 36 and name HN) 4.0 2.2 1.5    !# 334
assign (resid 33 and name HN) (resid 32 and name HN) 3.0 1.2 1.5    !# 335
assign (resid 33 and name HN) (resid 37 and name HN) 4.0 2.2 2.5    !# 333  

!A34
assign (resid 34 and name HN) (resid 33 and name HG2#) 4.0 2.2 1.5  !# 337  177
assign (resid 34 and name HN) (resid 33 and name HG1#) 4.0 2.2 1.5  !# 338  134
assign (resid 34 and name HN) (resid 34 and name HB#) 2.0 0.2 1.5   !# 339  558
assign (resid 34 and name HN) (resid 37 and name HB#) 3.0 1.2 1.5   !# 340  127
assign (resid 34 and name HN) (resid 33 and name HB) 2.0 0.2 1.5    !# 341  214
assign (resid 34 and name HN) (resid 33 and name HA) 4.0 2.2 1.5    !# 342  46
assign (resid 34 and name HN) (resid 34 and name HA) 2.0 0.2 1.5    !# 343  269
assign (resid 34 and name HN) (resid 30 and name HA) 4.0 2.2 1.5    !# 344  64  
assign (resid 34 and name HN) (resid 35 and name HN) 2.0 0.2 1.5    !# 345  348
assign (resid 34 and name HN) (resid 37 and name HN) 4.0 2.2 1.5    !# 343  70

!A35
assign (resid 35 and name HN) (resid 34 and name HB#) 2.0 0.2 1.5   !# 349  222
assign (resid 35 and name HN) (resid 35 and name HB#) 2.0 0.2 1.5   !# 350  449
assign (resid 35 and name HN) (resid 36 and name HB#)  4.0 2.2 1.5  !# 351  77
assign (resid 35 and name HN) (resid 33 and name HA) 4.0 2.2 2.5    !# 352  33
assign (resid 35 and name HN) (resid 32 and name HA#) 3.0 1.2 1.5   !# 353  
assign (resid 35 and name HN) (resid 35 and name HA) 2.0 0.2 1.5    !# 354  298
assign (resid 35 and name HN) (resid 31 and name HA) 4.0 2.2 1.5    !# 355  56
assign (resid 35 and name HN) (resid 31 and name HD#) 4.0 2.2 2.5   !# 356  21
assign (resid 35 and name HN) (resid 38 and name HN) 4.0 2.2 1.5    !# 357  31
assign (resid 35 and name HN) (resid 34 and name HN) 2.0 0.2 1.5    !# 358  221
assign (resid 35 and name HN) (resid 36 and name HN) 2.0 0.2 1.5    !# 359  203
assign (resid 35 and name HN) (resid 32 and name HN) 4.0 2.2 1.5    !# 360  
assign (resid 35 and name HN) (resid 37 and name HN) 4.0 2.2 1.5    !# 366  

!F36
assign (resid 36 and name HN) (resid 34 and name HB#) 4.0 2.2 2.5   !# 362  35
assign (resid 36 and name HN) (resid 35 and name HB#) 2.0 0.2 1.5   !# 363  225
assign (resid 36 and name HN) (resid 38 and name HB2) 4.0 2.2 2.5   !# 364  
assign (resid 36 and name HN) (resid 36 and name HB#) 2.0 0.2 1.5   !# 365  484
assign (resid 36 and name HN) (resid 33 and name HA) 3.0 1.2 1.5    !# 366  83
assign (resid 36 and name HN) (resid 35 and name HA) 4.0 2.2 1.5    !# 367 
assign (resid 36 and name HN) (resid 36 and name HA) 2.0 0.2 1.5    !# 368  222
assign (resid 36 and name HN) (resid 36 and name HD#) 4.0 2.2 2.5   !# 369  30
assign (resid 36 and name HN) (resid 38 and name HN) 4.0 2.2 1.5    !# 370  107
assign (resid 36 and name HN) (resid 35 and name HN) 2.0 0.2 1.5    !# 371  196
assign (resid 36 and name HN) (resid 37 and name HN) 2.0 0.2 1.5    !# 377  218

!A37
assign (resid 37 and name HN) (resid 40 and name HD#) 4.0 2.2 1.5   !# 373  38
assign (resid 37 and name HN) (resid 33 and name HG1#) 4.0 2.2 1.5  !# 374  72
assign (resid 37 and name HN) (resid 33 and name HG2#) 4.0 2.2 2.5  !# 375  33
assign (resid 37 and name HN) (resid 34 and name HB#) 4.0 2.2 2.5   !# 376  54?
assign (resid 37 and name HN) (resid 35 and name HB#) 4.0 2.2 2.5   !# 376     
assign (resid 37 and name HN) (resid 37 and name HB#) 2.0 0.2 1.5   !# 377  608
assign (resid 37 and name HN) (resid 39 and name HB#) 4.0 2.2 2.5   !# 378  18
assign (resid 37 and name HN) (resid 38 and name HB1#) 4.0 2.2 1.5  !# 379  
assign (resid 37 and name HN) (resid 36 and name HB#)  2.0 0.2 1.5  !# 380         
assign (resid 37 and name HN) (resid 33 and name HA)   4.0 2.2 1.5  !# 381  63
assign (resid 37 and name HN) (resid 37 and name HA) 2.0 0.2 1.5    !# 382  306
assign (resid 37 and name HN) (resid 38 and name HA) 4.0 2.2 2.5    !# 383  26
assign (resid 37 and name HN) (resid 36 and name HA) 4.0 2.2 1.5    !# 384  58
assign (resid 37 and name HN) (resid 36 and name HD#) 4.0 2.2 1.5   !# 385  37
assign (resid 37 and name HN) (resid 41 and name HN) 4.0 2.2 2.5    !# 386
assign (resid 37 and name HN) (resid 38 and name HN) 2.0 0.2 1.5    !# 387  172
assign (resid 37 and name HN) (resid 34 and name HN) 4.0 2.2 1.5    !# 388
assign (resid 37 and name HN) (resid 36 and name HN) 2.0 0.2 1.5    !# 395  189

!H38
!assign (resid 38 and name HN) (resid 40 and name HD#) 4.0 2.2 1.5   !# 390  20
!assign (resid 38 and name HN) (resid 39 and name HD) 4.0 2.2 1.5    !# 391  31
assign (resid 38 and name HN) (resid 34 and name HB#) 4.0 2.2 2.5   !# 392  30
assign (resid 38 and name HN) (resid 37 and name HB#) 3.0 1.2 1.5   !# 393  188
assign (resid 38 and name HN) (resid 39 and name HB)  4.0 2.2 2.5   !# 394  42   
assign (resid 38 and name HN) (resid 38 and name HB1) 3.0 1.2 1.5   !# 395  116
assign (resid 38 and name HN) (resid 38 and name HB2) 3.0 1.2 1.5   !# 396  184
assign (resid 38 and name HN) (resid 37 and name HA) 3.0 1.2 1.5    !# 397  
assign (resid 38 and name HN) (resid 35 and name HA) 4.0 2.2 1.5    !# 398  75
assign (resid 38 and name HN) (resid 38 and name HA) 2.0 0.2 1.5    !# 399  209
assign (resid 38 and name HN) (resid 41 and name HN) 4.0 2.2 1.5    !# 400  23
assign (resid 38 and name HN) (resid 36 and name HN) 4.0 2.2 1.5    !# 401  32
assign (resid 38 and name HN) (resid 35 and name HN) 4.0 2.2 1.5    !# 402  33
assign (resid 38 and name HN) (resid 37 and name HN) 3.0 1.2 1.5    !# 407  131

!L39
!assign (resid 39 and name HN) (resid 40 and name HD#) 4.0 2.2 1.5   !# 404  25
assign (resid 39 and name HN) (resid 39 and name HD#)  3.0 1.2 1.5  !# 405  88
assign (resid 39 and name HN) (resid 37 and name HB#) 4.0 2.2 1.5   !# 406  69   
assign (resid 39 and name HN) (resid 39 and name HB#) 2.0 0.2 1.5   !# 407  294
assign (resid 39 and name HN) (resid 39 and name HG) 3.0 1.2 1.5    !# 408  122
assign (resid 39 and name HN) (resid 38 and name HB2) 4.0 2.2 1.5   !# 409  67
assign (resid 39 and name HN) (resid 38 and name HB1) 3.0 1.2 1.5   !# 410  92
assign (resid 39 and name HN) (resid 40 and name HA) 4.0 2.2 2.0    !# 411  
assign (resid 39 and name HN) (resid 39 and name HA) 2.0 0.2 1.5    !# 412  257
assign (resid 39 and name HN) (resid 36 and name HA) 4.0 2.2 1.0    !# 413  65
assign (resid 39 and name HN) (resid 36 and name HD#) 4.0 2.2 2.5   !# 414  19
assign (resid 39 and name HN) (resid 41 and name HN) 4.0 2.2 1.5    !# 415  28
assign (resid 39 and name HN) (resid 36 and name HN) 4.0 2.2 1.5    !# 416  23
assign (resid 39 and name HN) (resid 35 and name HN) 4.0 2.2 2.5    !# 417  
assign (resid 39 and name HN) (resid 37 and name HN) 4.0 2.2 1.5    !# 421  30

!L40
assign (resid 40 and name HN) (resid 40 and name HD#)  3.0 1.2 1.5  !# 419  113
assign (resid 40 and name HN) (resid 41 and name HG1#) 4.0 2.2 2.5   !# 420  41
assign (resid 40 and name HN) (resid 40 and name HB#) 3.0 1.2 1.5   !# 421  165
!assign (resid 40 and name HN) (resid 37 and name HB#) 4.0 2.2 2.5   !# 422  249?
assign (resid 40 and name HN) (resid 40 and name HG#) 4.0 2.2 1.5   !# 423  74   
assign (resid 40 and name HN) (resid 40 and name HA) 2.0 0.2 1.5    !# 424  242
assign (resid 40 and name HN) (resid 41 and name HN) 2.0 0.2 1.5    !# 427  201   

!V41
assign (resid 41 and name HN) (resid 40 and name HD#) 4.0 2.2 2.5   !# 426  33  
assign (resid 41 and name HN) (resid 41 and name HG2#) 3.0 1.2 1.5  !# 427  106
assign (resid 41 and name HN) (resid 41 and name HG1#) 2.0 0.2 1.5  !# 428  201
assign (resid 41 and name HN) (resid 40 and name HB#) 4.0 2.2 1.5   !# 429  44
assign (resid 41 and name HN) (resid 40 and name HG) 3.0 1.2 1.5    !# 430  64
assign (resid 41 and name HN) (resid 41 and name HB) 3.0 1.2 1.5    !# 432  152
assign (resid 41 and name HN) (resid 42 and name HB1) 4.0 2.2 2.5   !# 434  16 
assign (resid 41 and name HN) (resid 42 and name HB2) 4.0 2.2 2.5   !# 434  16 
assign (resid 41 and name HN) (resid 41 and name HA) 3.0 1.2 1.5    !# 435  162
assign (resid 41 and name HN) (resid 40 and name HA) 4.0 2.2 1.5    !# 436  58
assign (resid 41 and name HN) (resid 38 and name HA) 3.0 1.2 1.5    !# 437  57   
assign (resid 41 and name HN) (resid 42 and name HN) 3.0 1.2 1.5    !# 438  86
assign (resid 41 and name HN) (resid 40 and name HN) 3.0 1.2 1.5    !# 440  103

!W42
assign (resid 42 and name HN) (resid 41 and name HG2#) 4.0 2.2 1.5  !# 440  58
assign (resid 42 and name HN) (resid 41 and name HG1#) 4.0 2.2 2.5  !# 441  33
assign (resid 42 and name HN) (resid 39 and name HB#) 4.0 2.2 2.5   !# 442  24
assign (resid 42 and name HN) (resid 43 and name HB) 4.0 2.2 2.5    !# 443  28
assign (resid 42 and name HN) (resid 41 and name HB) 4.0 2.2 1.5    !# 444  66
assign (resid 42 and name HN) (resid 42 and name HB1) 3.0 1.2 1.5   !# 445  117
assign (resid 42 and name HN) (resid 42 and name HB2) 3.0 1.2 1.5   !# 445  112
assign (resid 42 and name HN) (resid 41 and name HA) 4.0 2.2 1.5    !# 446  37
assign (resid 42 and name HN) (resid 40 and name HA) 4.0 2.2 2.5    !# 447  28
assign (resid 42 and name HN) (resid 39 and name HA) 3.0 1.2 1.5    !# 448  59
assign (resid 42 and name HN) (resid 42 and name HA) 3.0 1.2 1.5    !# 449  118
assign (resid 42 and name HN) (resid 42 and name HD1) 4.0 2.2 1.5   !# 449  
assign (resid 42 and name HN) (resid 41 and name HN) 3.0 1.2 1.5    !# 450  97
assign (resid 42 and name HN) (resid 43 and name HN) 3.0 1.2 1.5    !# 454  91

!I43
assign (resid 43 and name HN) (resid 43 and name HG2#) 4.0 2.2 1.5  !# 452  55
assign (resid 43 and name HN) (resid 43 and name HD#) 4.0 2.2 1.5   !# 453  53
assign (resid 43 and name HN) (resid 43 and name HG1#) 4.0 2.2 1.5  !# 454  44 
assign (resid 43 and name HN) (resid 43 and name HB) 4.0 2.2 1.5    !# 455  76
assign (resid 43 and name HN) (resid 42 and name HB1) 4.0 2.2 2.5   !# 457  23
assign (resid 43 and name HN) (resid 42 and name HB2) 4.0 2.2 1.5   !# 456  37
assign (resid 43 and name HN) (resid 43 and name HA) 4.0 2.2 1.5    !# 458  77
assign (resid 43 and name HN) (resid 39 and name HA) 4.0 2.2 1.5    !# 459  21
assign (resid 43 and name HN) (resid 42 and name HA) 4.0 2.2 1.5    !# 460  30
assign (resid 43 and name HN) (resid 41 and name HN) 4.0 2.2 2.5    !# 461  18
assign (resid 43 and name HN) (resid 42 and name HN) 3.0 1.2 1.5    !# 465  83

!W44
assign (resid 44 and name HN) (resid 43 and name HG2#) 4.0 2.2 1.5  !# 463  36 
assign (resid 44 and name HN) (resid 43 and name HB) 4.0 2.2 2.5    !# 464  25
assign (resid 44 and name HN) (resid 44 and name HB1) 4.0 2.2 1.5  !# 465  50 
assign (resid 44 and name HN) (resid 44 and name HB2)4.0 2.2 1.5   !# 466  41 
assign (resid 44 and name HN) (resid 43 and name HA) 4.0 2.2 2.5    !# 467  25
assign (resid 44 and name HN) (resid 44 and name HA) 4.0 2.2 1.5    !# 468  46
assign (resid 44 and name HN) (resid 41 and name HN) 4.0 2.2 2.5    !# 469
assign (resid 44 and name HN) (resid 44 and name HE3) 4.0 2.2 1.5   !# 473     

!R45
assign (resid 45 and name HN) (resid 45 and name HB#) 3.0 1.2 1.5   !# 470
assign (resid 45 and name HN) (resid 45 and name HA) 4.0 2.2 2.0    !# 471
assign (resid 45 and name HN) (resid 44 and name HB2) 4.0 2.2 2.0   !# 476

!P46

!W47
!assign (resid 47 and name HN) (resid 39 and name HB#) 4.0 2.2 2.5  !# 473
!assign (resid 47 and name HN) (resid 41 and name HB) 4.0 2.2 2.0   !# 474
assign (resid 47 and name HN) (resid 47 and name HB1) 4.0 2.2 1.5   !# 475
assign (resid 47 and name HN) (resid 47 and name HB2) 4.0 2.2 1.5   !# 476
assign (resid 47 and name HN) (resid 38 and name HA) 4.0 2.2 2.0    !# 477  
assign (resid 47 and name HN) (resid 47 and name HA) 4.0 2.2 1.5    !# 478
assign (resid 47 and name HN) (resid 47 and name HD1) 4.0 2.2 1.5   !# 481  

!V48
assign (resid 48 and name HN) (resid 48 and name HG#) 3.0 1.2 1.5   !# 479  101
assign (resid 48 and name HN) (resid 48 and name HB) 3.0 1.2 1.5    !# 480  96
assign (resid 48 and name HN) (resid 47 and name HB1) 4.0 2.2 2.5   !# 481  13
assign (resid 48 and name HN) (resid 47 and name HB2) 4.0 2.2 2.5   !# 482  13
assign (resid 48 and name HN) (resid 38 and name HA) 4.0 2.2 2.5    !# 483  12
assign (resid 48 and name HN) (resid 48 and name HA) 4.0 2.2 1.5    !# 484  40
assign (resid 48 and name HN) (resid 47 and name HA) 4.0 2.2 1.5    !# 488  60    

!P49

!G50
assign (resid 50 and name HN) (resid 49 and name HB#) 4.0 2.2 1.5   !# 486  
assign (resid 50 and name HN) (resid 50 and name HA#) 4.0 2.2 1.5   !# 486  52
assign (resid 50 and name HN) (resid 49 and name HA) 4.0 2.2 1.5    !# 491  59 

!P51

!N52
assign (resid 52 and name HN) (resid 51 and name HG#) 4.0 2.2 1.5   !# 488   
assign (resid 52 and name HN) (resid 52 and name HB#) 4.0 2.2 1.5   !# 488  26 
assign (resid 52 and name HN) (resid 51 and name HA) 3.0 1.2 1.5    !# 488
assign (resid 52 and name HN) (resid 52 and name HA) 4.0 2.2 1.5    !# 495  43

!G53
assign (resid 53 and name HN) (resid 53 and name HA1) 3.0 1.2 1.5   !# 490  94   
assign (resid 53 and name HN) (resid 53 and name HA2) 3.0 1.2 1.5   !# 491  82
assign (resid 53 and name HN) (resid 52 and name HA)  4.0 2.2 1.5   !# 498  53 

!Y54
assign (resid 54 and name HN) (resid 54 and name HB1) 4.0 2.2 1.5   !# 493
assign (resid 54 and name HN) (resid 54 and name HB2) 4.0 2.2 1.5   !# 494
assign (resid 54 and name HN) (resid 53 and name HA1) 4.0 2.2 1.5   !# 495
assign (resid 54 and name HN) (resid 53 and name HA2) 4.0 2.2 1.5   !# 496   
assign (resid 54 and name HN) (resid 54 and name HA) 4.0 2.2 1.5    !# 503 

!S55
assign (resid 55 and name HN) (resid 54 and name HB1) 4.0 2.2 1.5   !# 498
assign (resid 55 and name HN) (resid 54 and name HB2) 4.0 2.2 1.5   !# 499
assign (resid 55 and name HN) (resid 55 and name HA) 4.0 2.2 1.5    !# 500
assign (resid 55 and name HN) (resid 55 and name HB#) 4.0 2.2 1.5   !# 501
assign (resid 55 and name HN) (resid 55 and name HG) 4.0 2.2 1.5    !# 508

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   4.319 -30.790  -8.554
    2    HA   ALA   1           HA       ALA   1   5.947 -32.572 -10.045
    3   1HB   ALA   1          1HB       ALA   1   7.031 -33.559  -7.818
    4   2HB   ALA   1          2HB       ALA   1   7.000 -31.852  -7.375
    5   3HB   ALA   1          3HB       ALA   1   7.851 -32.370  -8.830
    6    H    GLU   2           H        GLU   2   5.007 -32.853  -6.630
    7    HA   GLU   2           HA       GLU   2   3.238 -35.066  -7.367
    8   1HB   GLU   2          2HB       GLU   2   4.919 -35.487  -5.624
    9   2HB   GLU   2          1HB       GLU   2   4.240 -34.188  -4.653
   10   1HG   GLU   2          2HG       GLU   2   2.101 -35.448  -4.574
   11   2HG   GLU   2          1HG       GLU   2   2.907 -36.778  -5.404
   12    H    VAL   3           H        VAL   3   3.220 -31.874  -5.950
   13    HA   VAL   3           HA       VAL   3   0.622 -31.920  -4.854
   14    HB   VAL   3           HB       VAL   3   0.750 -29.399  -5.110
   15   1HG1  VAL   3          1HG1      VAL   3   3.071 -30.743  -3.731
   16   2HG1  VAL   3          2HG1      VAL   3   1.438 -30.608  -3.078
   17   3HG1  VAL   3          3HG1      VAL   3   2.401 -29.156  -3.354
   18   1HG2  VAL   3          1HG2      VAL   3   3.620 -29.828  -5.851
   19   2HG2  VAL   3          2HG2      VAL   3   2.649 -28.358  -5.950
   20   3HG2  VAL   3          3HG2      VAL   3   2.381 -29.671  -7.097
   21    H    LYS   4           H        LYS   4  -1.273 -30.782  -5.646
   22    HA   LYS   4           HA       LYS   4  -1.572 -29.968  -8.328
   23   1HB   LYS   4          2HB       LYS   4  -3.101 -31.875  -9.023
   24   2HB   LYS   4          1HB       LYS   4  -1.378 -32.224  -9.006
   25   1HG   LYS   4          2HG       LYS   4  -1.643 -33.300  -6.807
   26   2HG   LYS   4          1HG       LYS   4  -3.380 -33.004  -6.896
   27   1HD   LYS   4          2HD       LYS   4  -2.928 -34.227  -9.280
   28   2HD   LYS   4          1HD       LYS   4  -1.731 -35.021  -8.256
   29   1HE   LYS   4          2HE       LYS   4  -3.297 -36.087  -7.027
   30   2HE   LYS   4          1HE       LYS   4  -4.417 -34.727  -7.086
   31   1HZ   LYS   4          1HZ       LYS   4  -3.967 -36.168  -9.579
   32   2HZ   LYS   4          2HZ       LYS   4  -5.388 -35.490  -8.962
   33   3HZ   LYS   4          3HZ       LYS   4  -4.844 -36.983  -8.382
   34    H    GLN   5           H        GLN   5  -2.786 -28.299  -7.633
   35    HA   GLN   5           HA       GLN   5  -4.409 -27.151  -6.441
   36   1HB   GLN   5          2HB       GLN   5  -6.147 -29.118  -7.927
   37   2HB   GLN   5          1HB       GLN   5  -6.550 -27.469  -7.470
   38   1HG   GLN   5          2HG       GLN   5  -5.486 -26.580  -9.231
   39   2HG   GLN   5          1HG       GLN   5  -4.161 -27.740  -9.151
   40   1HE2  GLN   5          1HE2      GLN   5  -4.049 -28.463 -11.182
   41   2HE2  GLN   5          2HE2      GLN   5  -5.347 -29.208 -12.043
   42    H    GLU   6           H        GLU   6  -3.399 -29.133  -4.739
   43    HA   GLU   6           HA       GLU   6  -5.596 -30.572  -3.553
   44   1HB   GLU   6          2HB       GLU   6  -2.918 -30.993  -3.596
   45   2HB   GLU   6          1HB       GLU   6  -3.093 -30.239  -2.016
   46   1HG   GLU   6          2HG       GLU   6  -5.120 -32.062  -1.994
   47   2HG   GLU   6          1HG       GLU   6  -3.883 -32.898  -2.934
   48    H    SER   7           H        SER   7  -4.980 -30.257  -0.815
   49    HA   SER   7           HA       SER   7  -6.582 -28.027  -0.172
   50   1HB   SER   7          2HB       SER   7  -5.747 -28.525   2.208
   51   2HB   SER   7          1HB       SER   7  -6.621 -29.811   1.376
   52    HG   SER   7           HG       SER   7  -3.808 -29.561   1.657
   53    H    LEU   8           H        LEU   8  -3.141 -28.455  -0.481
   54    HA   LEU   8           HA       LEU   8  -2.283 -26.201   0.968
   55   1HB   LEU   8          2HB       LEU   8  -0.226 -26.367  -0.441
   56   2HB   LEU   8          1HB       LEU   8  -0.672 -27.835   0.406
   57    HG   LEU   8           HG       LEU   8  -1.903 -28.233  -1.991
   58   1HD1  LEU   8          1HD1      LEU   8  -1.148 -26.575  -3.335
   59   2HD1  LEU   8          2HD1      LEU   8   0.207 -27.687  -3.524
   60   3HD1  LEU   8          3HD1      LEU   8   0.328 -26.333  -2.400
   61   1HD2  LEU   8          1HD2      LEU   8  -0.195 -29.599  -0.554
   62   2HD2  LEU   8          2HD2      LEU   8   0.972 -28.980  -1.722
   63   3HD2  LEU   8          3HD2      LEU   8  -0.396 -29.947  -2.272
   64    H    SER   9           H        SER   9  -4.046 -26.360  -1.924
   65    HA   SER   9           HA       SER   9  -3.024 -24.234  -3.405
   66   1HB   SER   9          2HB       SER   9  -5.660 -25.590  -3.193
   67   2HB   SER   9          1HB       SER   9  -5.652 -23.995  -3.944
   68    HG   SER   9           HG       SER   9  -5.122 -25.139  -5.643
   69    H    GLY  10           H        GLY  10  -4.853 -24.278  -0.460
   70   1HA   GLY  10          2HA       GLY  10  -5.649 -21.515  -0.579
   71   2HA   GLY  10          1HA       GLY  10  -5.779 -22.583   0.813
   72    H    ILE  11           H        ILE  11  -2.897 -23.305   0.606
   73    HA   ILE  11           HA       ILE  11  -1.898 -21.181   2.262
   74    HB   ILE  11           HB       ILE  11  -0.344 -23.526   1.168
   75   1HG1  ILE  11          2HG1      ILE  11  -1.977 -23.342   3.712
   76   2HG1  ILE  11          1HG1      ILE  11  -2.380 -24.314   2.300
   77   1HG2  ILE  11          1HG2      ILE  11   0.681 -21.417   2.387
   78   2HG2  ILE  11          2HG2      ILE  11   1.280 -23.047   2.697
   79   3HG2  ILE  11          3HG2      ILE  11   0.152 -22.292   3.825
   80   1HD1  ILE  11          1HD1      ILE  11   0.281 -24.873   3.310
   81   2HD1  ILE  11          2HD1      ILE  11  -1.052 -25.971   2.948
   82   3HD1  ILE  11          3HD1      ILE  11  -0.982 -25.152   4.509
   83    H    THR  12           H        THR  12  -0.822 -22.605  -0.828
   84    HA   THR  12           HA       THR  12   1.147 -20.656  -1.353
   85    HB   THR  12           HB       THR  12  -0.352 -22.265  -3.423
   86    HG1  THR  12           1HG      THR  12   1.740 -23.027  -1.682
   87   1HG2  THR  12          1HG2      THR  12   1.908 -22.329  -4.501
   88   2HG2  THR  12          2HG2      THR  12   2.410 -21.094  -3.347
   89   3HG2  THR  12          3HG2      THR  12   1.114 -20.755  -4.494
   90    H    GLU  13           H        GLU  13  -2.153 -21.030  -2.642
   91    HA   GLU  13           HA       GLU  13  -2.109 -18.580  -4.081
   92   1HB   GLU  13          2HB       GLU  13  -3.671 -20.704  -4.277
   93   2HB   GLU  13          1HB       GLU  13  -4.677 -19.794  -3.159
   94   1HG   GLU  13          2HG       GLU  13  -4.109 -17.910  -5.033
   95   2HG   GLU  13          1HG       GLU  13  -4.168 -19.377  -6.009
   96    H    GLY  14           H        GLY  14  -2.744 -19.403  -0.786
   97   1HA   GLY  14          2HA       GLY  14  -4.309 -17.099  -0.135
   98   2HA   GLY  14          1HA       GLY  14  -3.518 -18.177   1.007
   99    H    GLU  15           H        GLU  15  -0.936 -17.963   0.631
  100    HA   GLU  15           HA       GLU  15  -0.261 -15.439   1.686
  101   1HB   GLU  15          2HB       GLU  15   2.078 -16.178   1.434
  102   2HB   GLU  15          1HB       GLU  15   1.074 -17.421   2.168
  103   1HG   GLU  15          2HG       GLU  15   0.848 -18.275  -0.289
  104   2HG   GLU  15          1HG       GLU  15   2.323 -17.341  -0.534
  105    H    ALA  16           H        ALA  16   0.083 -16.853  -1.533
  106    HA   ALA  16           HA       ALA  16   1.487 -14.769  -2.762
  107   1HB   ALA  16          1HB       ALA  16   1.225 -16.932  -3.819
  108   2HB   ALA  16          2HB       ALA  16   0.582 -15.675  -4.874
  109   3HB   ALA  16          3HB       ALA  16  -0.517 -16.692  -3.943
  110    H    LYS  17           H        LYS  17  -1.993 -15.345  -2.439
  111    HA   LYS  17           HA       LYS  17  -2.878 -13.109  -3.887
  112   1HB   LYS  17          2HB       LYS  17  -4.319 -15.014  -3.246
  113   2HB   LYS  17          1HB       LYS  17  -4.228 -14.503  -1.566
  114   1HG   LYS  17          2HG       LYS  17  -5.145 -12.453  -3.470
  115   2HG   LYS  17          1HG       LYS  17  -6.223 -13.832  -3.241
  116   1HD   LYS  17          2HD       LYS  17  -5.054 -12.464  -0.857
  117   2HD   LYS  17          1HD       LYS  17  -6.420 -11.730  -1.697
  118   1HE   LYS  17          2HE       LYS  17  -7.867 -13.363  -1.059
  119   2HE   LYS  17          1HE       LYS  17  -6.624 -14.613  -1.053
  120   1HZ   LYS  17          1HZ       LYS  17  -7.462 -12.820   1.075
  121   2HZ   LYS  17          2HZ       LYS  17  -5.799 -13.110   0.969
  122   3HZ   LYS  17          3HZ       LYS  17  -6.872 -14.404   1.161
  123    H    GLU  18           H        GLU  18  -1.846 -13.513  -0.566
  124    HA   GLU  18           HA       GLU  18  -2.796 -11.043   0.429
  125   1HB   GLU  18          2HB       GLU  18  -1.706 -13.226   1.579
  126   2HB   GLU  18          1HB       GLU  18  -0.307 -12.160   1.583
  127   1HG   GLU  18          2HG       GLU  18  -2.853 -11.021   2.555
  128   2HG   GLU  18          1HG       GLU  18  -2.084 -12.244   3.565
  129    H    PHE  19           H        PHE  19   0.490 -12.013  -0.548
  130    HA   PHE  19           HA       PHE  19   1.693  -9.524  -0.318
  131   1HB   PHE  19          2HB       PHE  19   2.328 -12.082  -1.582
  132   2HB   PHE  19          1HB       PHE  19   3.040 -10.705  -2.418
  133    HD1  PHE  19           1HD      PHE  19   5.260 -10.536  -1.874
  134    HD2  PHE  19           2HD      PHE  19   2.451 -11.453   1.190
  135    HE1  PHE  19           1HE      PHE  19   7.063 -10.451  -0.201
  136    HE2  PHE  19           2HE      PHE  19   4.249 -11.370   2.868
  137    HZ   PHE  19           HZ       PHE  19   6.558 -10.868   2.173
  138    H    HIS  20           H        HIS  20  -0.212 -10.881  -2.934
  139    HA   HIS  20           HA       HIS  20   0.438  -8.879  -4.851
  140   1HB   HIS  20          2HB       HIS  20  -1.851 -10.839  -4.659
  141   2HB   HIS  20          1HB       HIS  20  -1.635  -9.742  -6.020
  142    HD1  HIS  20           1HD      HIS  20   1.620 -10.226  -5.816
  143    HD2  HIS  20           2HD      HIS  20  -1.398 -13.018  -6.413
  144    HE1  HIS  20           1HE      HIS  20   2.728 -12.182  -6.945
  145    HE2  HIS  20           2HE      HIS  20   0.899 -13.895  -7.214
  146    H    LYS  21           H        LYS  21  -2.530  -9.435  -2.948
  147    HA   LYS  21           HA       LYS  21  -3.834  -7.076  -3.660
  148   1HB   LYS  21          2HB       LYS  21  -4.456  -9.245  -2.120
  149   2HB   LYS  21          1HB       LYS  21  -4.309  -7.987  -0.901
  150   1HG   LYS  21          2HG       LYS  21  -6.588  -8.098  -1.569
  151   2HG   LYS  21          1HG       LYS  21  -5.906  -6.610  -2.228
  152   1HD   LYS  21          2HD       LYS  21  -5.600  -7.725  -4.396
  153   2HD   LYS  21          1HD       LYS  21  -6.314  -9.195  -3.731
  154   1HE   LYS  21          2HE       LYS  21  -8.432  -8.259  -3.597
  155   2HE   LYS  21          1HE       LYS  21  -7.811  -6.609  -3.617
  156   1HZ   LYS  21          1HZ       LYS  21  -7.374  -6.744  -5.910
  157   2HZ   LYS  21          2HZ       LYS  21  -8.920  -7.401  -5.713
  158   3HZ   LYS  21          3HZ       LYS  21  -7.592  -8.423  -5.948
  159    H    ILE  22           H        ILE  22  -1.779  -7.736  -0.832
  160    HA   ILE  22           HA       ILE  22  -1.974  -5.215   0.348
  161    HB   ILE  22           HB       ILE  22  -0.092  -5.802   1.666
  162   1HG1  ILE  22          2HG1      ILE  22   0.561  -7.957  -0.344
  163   2HG1  ILE  22          1HG1      ILE  22   1.427  -6.434  -0.182
  164   1HG2  ILE  22          1HG2      ILE  22  -0.688  -8.498   1.747
  165   2HG2  ILE  22          2HG2      ILE  22  -2.152  -7.743   1.119
  166   3HG2  ILE  22          3HG2      ILE  22  -1.478  -7.213   2.660
  167   1HD1  ILE  22          1HD1      ILE  22   1.717  -7.235   2.298
  168   2HD1  ILE  22          2HD1      ILE  22   2.782  -7.815   1.018
  169   3HD1  ILE  22          3HD1      ILE  22   1.447  -8.822   1.579
  170    H    PHE  23           H        PHE  23   0.142  -6.448  -2.172
  171    HA   PHE  23           HA       PHE  23   1.952  -4.297  -2.272
  172   1HB   PHE  23          2HB       PHE  23   1.249  -6.583  -3.972
  173   2HB   PHE  23          1HB       PHE  23   1.824  -5.187  -4.875
  174    HD1  PHE  23           1HD      PHE  23   4.014  -5.458  -5.481
  175    HD2  PHE  23           2HD      PHE  23   2.783  -6.709  -1.604
  176    HE1  PHE  23           1HE      PHE  23   6.337  -6.064  -4.944
  177    HE2  PHE  23           2HE      PHE  23   5.105  -7.316  -1.059
  178    HZ   PHE  23           HZ       PHE  23   6.886  -6.993  -2.730
  179    H    THR  24           H        THR  24  -0.698  -4.988  -4.557
  180    HA   THR  24           HA       THR  24  -0.705  -2.541  -5.843
  181    HB   THR  24           HB       THR  24  -2.159  -4.886  -5.986
  182    HG1  THR  24           1HG      THR  24  -1.566  -3.648  -7.743
  183   1HG2  THR  24          1HG2      THR  24  -4.501  -4.234  -6.125
  184   2HG2  THR  24          2HG2      THR  24  -4.104  -2.653  -5.453
  185   3HG2  THR  24          3HG2      THR  24  -3.887  -4.105  -4.477
  186    H    SER  25           H        SER  25  -2.628  -3.561  -3.039
  187    HA   SER  25           HA       SER  25  -4.124  -1.263  -2.659
  188   1HB   SER  25          2HB       SER  25  -4.246  -3.520  -1.420
  189   2HB   SER  25          1HB       SER  25  -3.016  -2.847  -0.349
  190    HG   SER  25           HG       SER  25  -5.576  -1.737  -0.879
  191    H    SER  26           H        SER  26  -0.991  -2.072  -1.163
  192    HA   SER  26           HA       SER  26  -0.634   0.277   0.272
  193   1HB   SER  26          2HB       SER  26   1.863  -0.265   0.006
  194   2HB   SER  26          1HB       SER  26   0.845  -1.484   0.773
  195    HG   SER  26           HG       SER  26   1.987  -1.472  -1.794
  196    H    ILE  27           H        ILE  27   0.076  -0.419  -3.109
  197    HA   ILE  27           HA       ILE  27   1.560   1.922  -3.644
  198    HB   ILE  27           HB       ILE  27  -0.113   0.312  -5.577
  199   1HG1  ILE  27          2HG1      ILE  27   2.846   0.026  -5.354
  200   2HG1  ILE  27          1HG1      ILE  27   1.853  -0.741  -4.119
  201   1HG2  ILE  27          1HG2      ILE  27   1.915   1.244  -7.050
  202   2HG2  ILE  27          2HG2      ILE  27   1.782   2.561  -5.884
  203   3HG2  ILE  27          3HG2      ILE  27   0.388   2.106  -6.865
  204   1HD1  ILE  27          1HD1      ILE  27   0.723  -1.373  -6.628
  205   2HD1  ILE  27          2HD1      ILE  27   1.517  -2.447  -5.477
  206   3HD1  ILE  27          3HD1      ILE  27   2.461  -1.649  -6.734
  207    H    LEU  28           H        LEU  28  -1.841   1.172  -4.446
  208    HA   LEU  28           HA       LEU  28  -2.486   3.745  -5.356
  209   1HB   LEU  28          2HB       LEU  28  -4.435   1.824  -4.109
  210   2HB   LEU  28          1HB       LEU  28  -4.757   3.041  -5.330
  211    HG   LEU  28           HG       LEU  28  -2.766   1.159  -6.261
  212   1HD1  LEU  28          1HD1      LEU  28  -5.451  -0.081  -5.765
  213   2HD1  LEU  28          2HD1      LEU  28  -4.125  -0.254  -4.614
  214   3HD1  LEU  28          3HD1      LEU  28  -3.945  -0.853  -6.263
  215   1HD2  LEU  28          1HD2      LEU  28  -4.782   0.863  -7.950
  216   2HD2  LEU  28          2HD2      LEU  28  -3.768   2.306  -7.954
  217   3HD2  LEU  28          3HD2      LEU  28  -5.341   2.336  -7.156
  218    H    VAL  29           H        VAL  29  -2.856   2.270  -2.169
  219    HA   VAL  29           HA       VAL  29  -4.194   4.448  -0.981
  220    HB   VAL  29           HB       VAL  29  -3.797   3.370   1.122
  221   1HG1  VAL  29          1HG1      VAL  29  -5.498   2.184   0.202
  222   2HG1  VAL  29          2HG1      VAL  29  -4.311   0.886   0.339
  223   3HG1  VAL  29          3HG1      VAL  29  -4.548   1.706  -1.204
  224   1HG2  VAL  29          1HG2      VAL  29  -2.356   1.222   1.079
  225   2HG2  VAL  29          2HG2      VAL  29  -1.558   2.790   1.209
  226   3HG2  VAL  29          3HG2      VAL  29  -1.615   1.956  -0.342
  227    H    PHE  30           H        PHE  30  -0.782   3.525  -1.214
  228    HA   PHE  30           HA       PHE  30   0.259   5.479   0.519
  229   1HB   PHE  30          2HB       PHE  30   1.633   3.622  -0.257
  230   2HB   PHE  30          1HB       PHE  30   1.500   4.180  -1.921
  231    HD1  PHE  30           1HD      PHE  30   3.211   5.442  -2.798
  232    HD2  PHE  30           2HD      PHE  30   2.644   5.376   1.420
  233    HE1  PHE  30           1HE      PHE  30   5.248   6.793  -2.507
  234    HE2  PHE  30           2HE      PHE  30   4.677   6.728   1.718
  235    HZ   PHE  30           HZ       PHE  30   5.982   7.437  -0.247
  236    H    PHE  31           H        PHE  31   0.521   5.530  -3.028
  237    HA   PHE  31           HA       PHE  31   1.000   8.280  -3.241
  238   1HB   PHE  31          2HB       PHE  31   1.127   6.252  -4.984
  239   2HB   PHE  31          1HB       PHE  31  -0.441   6.901  -5.450
  240    HD1  PHE  31           1HD      PHE  31   2.682   8.606  -4.348
  241    HD2  PHE  31           2HD      PHE  31  -0.156   7.991  -7.459
  242    HE1  PHE  31           1HE      PHE  31   3.802  10.325  -5.706
  243    HE2  PHE  31           2HE      PHE  31   0.959   9.709  -8.822
  244    HZ   PHE  31           HZ       PHE  31   2.942  10.879  -7.946
  245    H    GLY  32           H        GLY  32  -1.937   6.410  -3.029
  246   1HA   GLY  32          2HA       GLY  32  -3.808   8.282  -3.927
  247   2HA   GLY  32          1HA       GLY  32  -4.126   7.019  -2.745
  248    H    VAL  33           H        VAL  33  -2.588   7.693  -0.636
  249    HA   VAL  33           HA       VAL  33  -4.024   9.790   0.560
  250    HB   VAL  33           HB       VAL  33  -2.195   7.675   1.272
  251   1HG1  VAL  33          1HG1      VAL  33  -0.510   9.145   1.820
  252   2HG1  VAL  33          2HG1      VAL  33  -1.344   8.861   3.347
  253   3HG1  VAL  33          3HG1      VAL  33  -1.631  10.352   2.449
  254   1HG2  VAL  33          1HG2      VAL  33  -4.189   9.294   2.810
  255   2HG2  VAL  33          2HG2      VAL  33  -3.389   7.840   3.411
  256   3HG2  VAL  33          3HG2      VAL  33  -4.452   7.748   2.005
  257    H    ALA  34           H        ALA  34  -0.551   9.391  -0.089
  258    HA   ALA  34           HA       ALA  34   0.358  11.903   0.491
  259   1HB   ALA  34          1HB       ALA  34   1.988  11.441  -1.506
  260   2HB   ALA  34          2HB       ALA  34   1.206   9.860  -1.519
  261   3HB   ALA  34          3HB       ALA  34   2.037  10.421  -0.068
  262    H    ALA  35           H        ALA  35  -1.406  10.828  -2.337
  263    HA   ALA  35           HA       ALA  35  -1.051  13.138  -3.930
  264   1HB   ALA  35          1HB       ALA  35  -1.784  11.326  -5.152
  265   2HB   ALA  35          2HB       ALA  35  -3.274  12.252  -4.971
  266   3HB   ALA  35          3HB       ALA  35  -2.974  10.854  -3.939
  267    H    PHE  36           H        PHE  36  -4.200  12.134  -2.614
  268    HA   PHE  36           HA       PHE  36  -5.308  14.699  -2.643
  269   1HB   PHE  36          2HB       PHE  36  -6.644  12.628  -2.506
  270   2HB   PHE  36          1HB       PHE  36  -6.070  12.373  -0.862
  271    HD1  PHE  36           1HD      PHE  36  -7.259  15.466  -2.556
  272    HD2  PHE  36           2HD      PHE  36  -7.905  12.595   0.517
  273    HE1  PHE  36           1HE      PHE  36  -9.130  16.813  -1.697
  274    HE2  PHE  36           2HE      PHE  36  -9.778  13.936   1.382
  275    HZ   PHE  36           HZ       PHE  36 -10.393  16.049   0.274
  276    H    ALA  37           H        ALA  37  -3.805  12.905  -0.017
  277    HA   ALA  37           HA       ALA  37  -4.192  14.581   2.121
  278   1HB   ALA  37          1HB       ALA  37  -2.313  13.526   3.155
  279   2HB   ALA  37          2HB       ALA  37  -1.622  13.096   1.591
  280   3HB   ALA  37          3HB       ALA  37  -3.105  12.318   2.143
  281    H    HIS  38           H        HIS  38  -1.585  14.744  -0.300
  282    HA   HIS  38           HA       HIS  38  -0.316  16.995   0.895
  283   1HB   HIS  38          2HB       HIS  38  -0.105  15.682  -1.805
  284   2HB   HIS  38          1HB       HIS  38   0.764  17.168  -1.442
  285    HD1  HIS  38           1HD      HIS  38   2.849  15.464  -1.942
  286    HD2  HIS  38           2HD      HIS  38   0.771  14.938   1.617
  287    HE1  HIS  38           1HE      HIS  38   4.369  14.104  -0.471
  288    HE2  HIS  38           2HE      HIS  38   3.048  13.712   1.638
  289    H    LEU  39           H        LEU  39  -2.621  16.602  -1.759
  290    HA   LEU  39           HA       LEU  39  -2.662  19.359  -2.464
  291   1HB   LEU  39          2HB       LEU  39  -4.283  16.957  -3.159
  292   2HB   LEU  39          1HB       LEU  39  -4.935  18.541  -3.531
  293    HG   LEU  39           HG       LEU  39  -2.655  18.948  -4.707
  294   1HD1  LEU  39          1HD1      LEU  39  -2.732  15.939  -4.797
  295   2HD1  LEU  39          2HD1      LEU  39  -1.640  16.869  -3.773
  296   3HD1  LEU  39          3HD1      LEU  39  -1.534  17.007  -5.527
  297   1HD2  LEU  39          1HD2      LEU  39  -4.414  16.933  -6.056
  298   2HD2  LEU  39          2HD2      LEU  39  -3.608  18.346  -6.739
  299   3HD2  LEU  39          3HD2      LEU  39  -5.009  18.553  -5.687
  300    H    LEU  40           H        LEU  40  -4.213  17.571   0.045
  301    HA   LEU  40           HA       LEU  40  -6.294  19.596   0.346
  302   1HB   LEU  40          2HB       LEU  40  -7.261  18.146   2.028
  303   2HB   LEU  40          1HB       LEU  40  -6.969  17.269   0.539
  304    HG   LEU  40           HG       LEU  40  -4.792  16.477   1.673
  305   1HD1  LEU  40          1HD1      LEU  40  -4.441  17.564   3.617
  306   2HD1  LEU  40          2HD1      LEU  40  -5.501  16.310   4.261
  307   3HD1  LEU  40          3HD1      LEU  40  -6.155  17.899   3.864
  308   1HD2  LEU  40          1HD2      LEU  40  -7.583  15.596   2.144
  309   2HD2  LEU  40          2HD2      LEU  40  -6.314  14.840   3.107
  310   3HD2  LEU  40          3HD2      LEU  40  -6.248  14.762   1.346
  311    H    VAL  41           H        VAL  41  -3.251  18.707   1.755
  312    HA   VAL  41           HA       VAL  41  -3.639  19.937   4.284
  313    HB   VAL  41           HB       VAL  41  -1.088  20.056   4.309
  314   1HG1  VAL  41          1HG1      VAL  41  -1.206  18.085   5.328
  315   2HG1  VAL  41          2HG1      VAL  41  -1.553  17.247   3.816
  316   3HG1  VAL  41          3HG1      VAL  41  -2.867  17.966   4.747
  317   1HG2  VAL  41          1HG2      VAL  41  -1.249  18.262   1.918
  318   2HG2  VAL  41          2HG2      VAL  41   0.161  19.054   2.618
  319   3HG2  VAL  41          3HG2      VAL  41  -1.039  20.002   1.740
  320    H    TRP  42           H        TRP  42  -3.030  21.191   1.138
  321    HA   TRP  42           HA       TRP  42  -2.985  23.318   0.352
  322   1HB   TRP  42          2HB       TRP  42  -4.370  24.630   1.508
  323   2HB   TRP  42          1HB       TRP  42  -4.223  23.565   2.895
  324    HD1  TRP  42           HD       TRP  42  -2.613  24.351   4.882
  325    HE1  TRP  42           1HE      TRP  42  -1.612  26.644   5.482
  326    HE3  TRP  42           3HE      TRP  42  -3.438  26.782   0.459
  327    HZ2  TRP  42           2HZ      TRP  42  -1.226  29.153   4.247
  328    HZ3  TRP  42           3HZ      TRP  42  -2.724  29.127   0.253
  329    HH2  TRP  42           HH       TRP  42  -1.641  30.286   2.109
  330    H    ILE  43           H        ILE  43  -0.640  21.897   2.006
  331    HA   ILE  43           HA       ILE  43   1.177  24.200   1.721
  332    HB   ILE  43           HB       ILE  43   0.885  23.639   4.091
  333   1HG1  ILE  43          2HG1      ILE  43   3.342  23.176   4.592
  334   2HG1  ILE  43          1HG1      ILE  43   3.570  23.033   2.852
  335   1HG2  ILE  43          1HG2      ILE  43   1.926  20.929   3.284
  336   2HG2  ILE  43          2HG2      ILE  43   0.325  21.305   3.920
  337   3HG2  ILE  43          3HG2      ILE  43   1.746  21.486   4.947
  338   1HD1  ILE  43          1HD1      ILE  43   2.174  25.464   3.649
  339   2HD1  ILE  43          2HD1      ILE  43   3.545  25.241   2.561
  340   3HD1  ILE  43          3HD1      ILE  43   3.805  25.328   4.303
  341    H    TRP  44           H        TRP  44   0.779  20.710   1.458
  342    HA   TRP  44           HA       TRP  44   2.100  19.081   0.514
  343   1HB   TRP  44          2HB       TRP  44   0.816  20.013  -1.364
  344   2HB   TRP  44          1HB       TRP  44   2.101  21.178  -1.666
  345    HD1  TRP  44           HD       TRP  44   3.276  17.699  -0.823
  346    HE1  TRP  44           1HE      TRP  44   4.183  16.561  -2.946
  347    HE3  TRP  44           3HE      TRP  44   1.692  21.093  -4.301
  348    HZ2  TRP  44           2HZ      TRP  44   4.221  17.039  -5.727
  349    HZ3  TRP  44           3HZ      TRP  44   2.205  20.678  -6.672
  350    HH2  TRP  44           HH       TRP  44   3.444  18.693  -7.369
  351    H    ARG  45           H        ARG  45   3.907  19.225   1.939
  352    HA   ARG  45           HA       ARG  45   6.380  19.403   0.690
  353   1HB   ARG  45          2HB       ARG  45   5.505  21.945   1.102
  354   2HB   ARG  45          1HB       ARG  45   6.389  21.657   2.593
  355   1HG   ARG  45          2HG       ARG  45   7.803  22.704   0.918
  356   2HG   ARG  45          1HG       ARG  45   8.383  21.087   1.321
  357   1HD   ARG  45          2HD       ARG  45   6.623  20.695  -0.796
  358   2HD   ARG  45          1HD       ARG  45   7.506  22.161  -1.220
  359    HE   ARG  45           HE       ARG  45   8.500  19.524  -1.297
  360   1HH1  ARG  45          1HH1      ARG  45   9.461  22.758  -0.404
  361   2HH1  ARG  45          2HH1      ARG  45  11.142  22.478  -0.713
  362   1HH2  ARG  45          1HH2      ARG  45  10.711  19.154  -1.701
  363   2HH2  ARG  45          2HH2      ARG  45  11.851  20.432  -1.449
  364    HA   PRO  46           HA       PRO  46   6.955  19.091   5.532
  365   1HB   PRO  46          2HB       PRO  46   4.147  18.871   6.422
  366   2HB   PRO  46          1HB       PRO  46   5.477  19.801   7.118
  367   1HG   PRO  46          2HG       PRO  46   3.476  21.005   5.813
  368   2HG   PRO  46          1HG       PRO  46   5.145  21.594   5.694
  369   1HD   PRO  46          2HD       PRO  46   3.569  19.952   3.747
  370   2HD   PRO  46          1HD       PRO  46   4.677  21.305   3.441
  371    H    TRP  47           H        TRP  47   3.837  17.600   4.622
  372    HA   TRP  47           HA       TRP  47   3.176  15.429   4.458
  373   1HB   TRP  47          2HB       TRP  47   5.211  15.349   2.945
  374   2HB   TRP  47          1HB       TRP  47   6.105  14.705   4.317
  375    HD1  TRP  47           HD       TRP  47   3.157  13.013   5.020
  376    HE1  TRP  47           1HE      TRP  47   2.933  10.747   3.823
  377    HE3  TRP  47           3HE      TRP  47   6.666  13.677   1.359
  378    HZ2  TRP  47           2HZ      TRP  47   4.090   9.415   1.620
  379    HZ3  TRP  47           3HZ      TRP  47   7.045  11.858  -0.253
  380    HH2  TRP  47           HH       TRP  47   5.783   9.771  -0.124
  381    H    VAL  48           H        VAL  48   2.392  15.454   6.604
  382    HA   VAL  48           HA       VAL  48   2.167  14.691   8.737
  383    HB   VAL  48           HB       VAL  48   4.265  12.658   7.971
  384   1HG1  VAL  48          1HG1      VAL  48   3.218  13.107  10.422
  385   2HG1  VAL  48          2HG1      VAL  48   3.759  11.528   9.852
  386   3HG1  VAL  48          3HG1      VAL  48   2.049  11.955   9.774
  387   1HG2  VAL  48          1HG2      VAL  48   2.768  11.500   6.758
  388   2HG2  VAL  48          2HG2      VAL  48   1.943  13.052   6.614
  389   3HG2  VAL  48          3HG2      VAL  48   1.434  11.893   7.842
  390    HA   PRO  49           HA       PRO  49   6.300  16.689   9.882
  391   1HB   PRO  49          2HB       PRO  49   5.410  19.176  10.453
  392   2HB   PRO  49          1HB       PRO  49   5.897  18.695   8.823
  393   1HG   PRO  49          2HG       PRO  49   3.151  18.904   9.997
  394   2HG   PRO  49          1HG       PRO  49   3.729  19.423   8.402
  395   1HD   PRO  49          2HD       PRO  49   2.368  17.102   8.805
  396   2HD   PRO  49          1HD       PRO  49   3.574  17.306   7.520
  397    H    GLY  50           H        GLY  50   3.091  17.377  11.279
  398   1HA   GLY  50          2HA       GLY  50   2.325  16.905  13.419
  399   2HA   GLY  50          1HA       GLY  50   3.912  16.264  13.814
  400    HA   PRO  51           HA       PRO  51   3.349  20.376  15.957
  401   1HB   PRO  51          2HB       PRO  51   4.042  19.520  18.434
  402   2HB   PRO  51          1HB       PRO  51   2.389  19.422  17.817
  403   1HG   PRO  51          2HG       PRO  51   4.486  17.290  17.961
  404   2HG   PRO  51          1HG       PRO  51   2.759  17.187  18.349
  405   1HD   PRO  51          2HD       PRO  51   3.786  16.301  16.003
  406   2HD   PRO  51          1HD       PRO  51   2.147  16.969  16.139
  407    H    ASN  52           H        ASN  52   5.211  20.980  14.700
  408    HA   ASN  52           HA       ASN  52   7.501  21.507  16.233
  409   1HB   ASN  52          2HB       ASN  52   7.705  18.970  15.665
  410   2HB   ASN  52          1HB       ASN  52   8.157  19.542  14.061
  411   1HD2  ASN  52          1HD2      ASN  52   9.441  18.403  16.740
  412   2HD2  ASN  52          2HD2      ASN  52  10.939  19.263  16.789
  413    H    GLY  53           H        GLY  53   7.169  23.564  15.394
  414   1HA   GLY  53          2HA       GLY  53   7.463  25.299  13.923
  415   2HA   GLY  53          1HA       GLY  53   8.587  24.245  13.079
  416    H    TYR  54           H        TYR  54   7.591  25.614  11.284
  417    HA   TYR  54           HA       TYR  54   5.687  23.955   9.900
  418   1HB   TYR  54          2HB       TYR  54   4.028  25.704   9.511
  419   2HB   TYR  54          1HB       TYR  54   4.193  25.389  11.235
  420    HD1  TYR  54           1HD      TYR  54   6.089  26.947  12.377
  421    HD2  TYR  54           2HD      TYR  54   3.853  27.911   8.889
  422    HE1  TYR  54           1HE      TYR  54   6.507  29.337  12.777
  423    HE2  TYR  54           2HE      TYR  54   4.266  30.303   9.278
  424    HH   TYR  54           HH       TYR  54   6.352  31.604  10.698
  425    H    SER  55           H        SER  55   8.433  24.868   9.563
  426    HA   SER  55           HA       SER  55   8.338  26.730   7.336
  427   1HB   SER  55          2HB       SER  55  10.563  25.386   8.853
  428   2HB   SER  55          1HB       SER  55  10.875  26.226   7.334
  429    HG   SER  55           HG       SER  55   9.742  27.326   9.692
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1  -3.138 -35.952  -3.027
    2    HA   ALA   1           HA       ALA   1  -1.002 -35.034  -1.401
    3   1HB   ALA   1          1HB       ALA   1   0.197 -36.686  -2.984
    4   2HB   ALA   1          2HB       ALA   1   0.906 -35.094  -2.720
    5   3HB   ALA   1          3HB       ALA   1  -0.003 -35.421  -4.196
    6    H    GLU   2           H        GLU   2  -1.706 -34.621  -4.874
    7    HA   GLU   2           HA       GLU   2  -2.067 -31.756  -4.403
    8   1HB   GLU   2          2HB       GLU   2  -0.533 -32.435  -6.198
    9   2HB   GLU   2          1HB       GLU   2  -1.841 -33.300  -6.993
   10   1HG   GLU   2          2HG       GLU   2  -3.017 -30.968  -6.941
   11   2HG   GLU   2          1HG       GLU   2  -1.367 -30.371  -6.763
   12    H    VAL   3           H        VAL   3  -3.999 -30.801  -4.439
   13    HA   VAL   3           HA       VAL   3  -6.220 -31.975  -5.892
   14    HB   VAL   3           HB       VAL   3  -6.513 -31.455  -2.933
   15   1HG1  VAL   3          1HG1      VAL   3  -8.626 -32.847  -3.391
   16   2HG1  VAL   3          2HG1      VAL   3  -8.343 -32.454  -5.087
   17   3HG1  VAL   3          3HG1      VAL   3  -8.605 -31.163  -3.915
   18   1HG2  VAL   3          1HG2      VAL   3  -6.186 -34.072  -4.396
   19   2HG2  VAL   3          2HG2      VAL   3  -6.691 -33.917  -2.713
   20   3HG2  VAL   3          3HG2      VAL   3  -5.086 -33.377  -3.205
   21    H    LYS   4           H        LYS   4  -5.264 -29.484  -3.546
   22    HA   LYS   4           HA       LYS   4  -5.360 -27.188  -3.783
   23   1HB   LYS   4          2HB       LYS   4  -5.770 -27.733  -6.326
   24   2HB   LYS   4          1HB       LYS   4  -7.436 -27.331  -5.934
   25   1HG   LYS   4          2HG       LYS   4  -6.824 -25.123  -5.271
   26   2HG   LYS   4          1HG       LYS   4  -5.106 -25.509  -5.385
   27   1HD   LYS   4          2HD       LYS   4  -6.963 -25.686  -7.744
   28   2HD   LYS   4          1HD       LYS   4  -6.115 -24.198  -7.316
   29   1HE   LYS   4          2HE       LYS   4  -3.972 -25.397  -7.484
   30   2HE   LYS   4          1HE       LYS   4  -4.841 -26.854  -7.966
   31   1HZ   LYS   4          1HZ       LYS   4  -5.210 -26.059 -10.029
   32   2HZ   LYS   4          2HZ       LYS   4  -3.840 -25.123  -9.701
   33   3HZ   LYS   4          3HZ       LYS   4  -5.383 -24.454  -9.520
   34    H    GLN   5           H        GLN   5  -6.746 -28.633  -1.936
   35    HA   GLN   5           HA       GLN   5  -8.742 -26.813  -1.129
   36   1HB   GLN   5          2HB       GLN   5  -9.782 -28.428  -3.001
   37   2HB   GLN   5          1HB       GLN   5 -10.030 -29.449  -1.591
   38   1HG   GLN   5          2HG       GLN   5 -11.997 -28.295  -1.633
   39   2HG   GLN   5          1HG       GLN   5 -11.043 -27.268  -0.564
   40   1HE2  GLN   5          1HE2      GLN   5 -13.148 -27.181  -3.018
   41   2HE2  GLN   5          2HE2      GLN   5 -12.691 -25.696  -3.772
   42    H    GLU   6           H        GLU   6  -7.522 -30.120  -0.885
   43    HA   GLU   6           HA       GLU   6  -8.385 -30.715   1.699
   44   1HB   GLU   6          2HB       GLU   6  -6.050 -31.636   0.051
   45   2HB   GLU   6          1HB       GLU   6  -6.245 -32.189   1.708
   46   1HG   GLU   6          2HG       GLU   6  -8.383 -32.473  -0.383
   47   2HG   GLU   6          1HG       GLU   6  -7.159 -33.703  -0.071
   48    H    SER   7           H        SER   7  -5.346 -29.214   0.627
   49    HA   SER   7           HA       SER   7  -5.153 -27.541   2.884
   50   1HB   SER   7          2HB       SER   7  -3.224 -28.563   4.014
   51   2HB   SER   7          1HB       SER   7  -4.632 -29.623   4.052
   52    HG   SER   7           HG       SER   7  -2.350 -30.387   3.333
   53    H    LEU   8           H        LEU   8  -4.932 -26.360   0.846
   54    HA   LEU   8           HA       LEU   8  -2.220 -25.600   0.378
   55   1HB   LEU   8          2HB       LEU   8  -3.727 -26.865  -1.908
   56   2HB   LEU   8          1HB       LEU   8  -2.205 -26.012  -2.044
   57    HG   LEU   8           HG       LEU   8  -1.409 -27.864  -0.322
   58   1HD1  LEU   8          1HD1      LEU   8  -2.674 -29.697  -0.117
   59   2HD1  LEU   8          2HD1      LEU   8  -3.076 -29.717  -1.834
   60   3HD1  LEU   8          3HD1      LEU   8  -3.997 -28.702  -0.724
   61   1HD2  LEU   8          1HD2      LEU   8  -0.658 -27.343  -2.694
   62   2HD2  LEU   8          2HD2      LEU   8  -1.770 -28.614  -3.203
   63   3HD2  LEU   8          3HD2      LEU   8  -0.429 -28.996  -2.123
   64    H    SER   9           H        SER   9  -5.633 -25.380  -0.399
   65    HA   SER   9           HA       SER   9  -5.652 -23.170  -2.073
   66   1HB   SER   9          2HB       SER   9  -7.939 -22.758  -1.256
   67   2HB   SER   9          1HB       SER   9  -7.672 -24.478  -1.543
   68    HG   SER   9           HG       SER   9  -8.725 -23.972   0.480
   69    H    GLY  10           H        GLY  10  -5.118 -23.410   1.360
   70   1HA   GLY  10          2HA       GLY  10  -5.400 -20.617   1.918
   71   2HA   GLY  10          1HA       GLY  10  -4.664 -21.822   2.967
   72    H    ILE  11           H        ILE  11  -2.888 -22.609   0.612
   73    HA   ILE  11           HA       ILE  11  -0.754 -20.772   1.261
   74    HB   ILE  11           HB       ILE  11  -0.680 -23.014  -0.755
   75   1HG1  ILE  11          2HG1      ILE  11  -0.078 -23.113   2.210
   76   2HG1  ILE  11          1HG1      ILE  11  -1.451 -23.876   1.414
   77   1HG2  ILE  11          1HG2      ILE  11   1.752 -23.005  -0.096
   78   2HG2  ILE  11          2HG2      ILE  11   1.432 -21.491   0.751
   79   3HG2  ILE  11          3HG2      ILE  11   1.199 -21.592  -0.995
   80   1HD1  ILE  11          1HD1      ILE  11   0.318 -25.125   0.035
   81   2HD1  ILE  11          2HD1      ILE  11   0.052 -25.611   1.709
   82   3HD1  ILE  11          3HD1      ILE  11   1.443 -24.609   1.290
   83    H    THR  12           H        THR  12  -2.514 -21.747  -1.669
   84    HA   THR  12           HA       THR  12  -1.214 -19.972  -3.428
   85    HB   THR  12           HB       THR  12  -3.586 -20.266  -4.640
   86    HG1  THR  12           1HG      THR  12  -4.748 -21.865  -3.864
   87   1HG2  THR  12          1HG2      THR  12  -1.283 -21.272  -5.213
   88   2HG2  THR  12          2HG2      THR  12  -2.741 -22.053  -5.826
   89   3HG2  THR  12          3HG2      THR  12  -1.905 -22.722  -4.425
   90    H    GLU  13           H        GLU  13  -4.306 -19.694  -1.684
   91    HA   GLU  13           HA       GLU  13  -4.808 -17.037  -2.591
   92   1HB   GLU  13          2HB       GLU  13  -6.685 -17.047  -1.115
   93   2HB   GLU  13          1HB       GLU  13  -6.565 -18.658  -1.809
   94   1HG   GLU  13          2HG       GLU  13  -6.768 -19.382   0.284
   95   2HG   GLU  13          1HG       GLU  13  -5.082 -18.904   0.473
   96    H    GLY  14           H        GLY  14  -3.094 -18.440   0.091
   97   1HA   GLY  14          2HA       GLY  14  -3.016 -16.192   1.794
   98   2HA   GLY  14          1HA       GLY  14  -1.854 -17.511   1.787
   99    H    GLU  15           H        GLU  15  -0.433 -17.410  -0.345
  100    HA   GLU  15           HA       GLU  15   1.168 -15.100  -0.106
  101   1HB   GLU  15          2HB       GLU  15   2.377 -15.987  -2.076
  102   2HB   GLU  15          1HB       GLU  15   2.124 -17.208  -0.834
  103   1HG   GLU  15          2HG       GLU  15  -0.018 -17.734  -2.275
  104   2HG   GLU  15          1HG       GLU  15   0.943 -16.982  -3.548
  105    H    ALA  16           H        ALA  16  -1.202 -16.126  -2.517
  106    HA   ALA  16           HA       ALA  16  -0.898 -14.027  -4.337
  107   1HB   ALA  16          1HB       ALA  16  -3.463 -15.470  -3.680
  108   2HB   ALA  16          2HB       ALA  16  -2.199 -16.112  -4.729
  109   3HB   ALA  16          3HB       ALA  16  -3.062 -14.642  -5.184
  110    H    LYS  17           H        LYS  17  -2.811 -14.302  -1.394
  111    HA   LYS  17           HA       LYS  17  -4.177 -11.823  -1.691
  112   1HB   LYS  17          2HB       LYS  17  -5.050 -13.624  -0.276
  113   2HB   LYS  17          1HB       LYS  17  -3.651 -13.484   0.781
  114   1HG   LYS  17          2HG       LYS  17  -5.346 -12.345   1.901
  115   2HG   LYS  17          1HG       LYS  17  -4.388 -11.068   1.149
  116   1HD   LYS  17          2HD       LYS  17  -6.064 -10.447  -0.225
  117   2HD   LYS  17          1HD       LYS  17  -6.588 -12.109  -0.500
  118   1HE   LYS  17          2HE       LYS  17  -7.336 -11.872   2.042
  119   2HE   LYS  17          1HE       LYS  17  -7.414 -10.171   1.588
  120   1HZ   LYS  17          1HZ       LYS  17  -8.708 -11.206  -0.449
  121   2HZ   LYS  17          2HZ       LYS  17  -9.491 -10.809   0.996
  122   3HZ   LYS  17          3HZ       LYS  17  -9.052 -12.413   0.686
  123    H    GLU  18           H        GLU  18  -1.113 -12.799  -0.343
  124    HA   GLU  18           HA       GLU  18  -0.604 -10.464   1.178
  125   1HB   GLU  18          2HB       GLU  18   0.607 -12.868   0.988
  126   2HB   GLU  18          1HB       GLU  18   1.695 -11.911  -0.008
  127   1HG   GLU  18          2HG       GLU  18   1.795 -10.280   1.935
  128   2HG   GLU  18          1HG       GLU  18   1.016 -11.541   2.890
  129    H    PHE  19           H        PHE  19   0.875 -11.484  -1.900
  130    HA   PHE  19           HA       PHE  19   2.062  -9.045  -2.505
  131   1HB   PHE  19          2HB       PHE  19   1.745 -11.581  -3.764
  132   2HB   PHE  19          1HB       PHE  19   1.355 -10.333  -4.943
  133    HD1  PHE  19           1HD      PHE  19   3.099  -9.743  -6.296
  134    HD2  PHE  19           2HD      PHE  19   3.908 -10.809  -2.256
  135    HE1  PHE  19           1HE      PHE  19   5.497  -9.354  -6.678
  136    HE2  PHE  19           2HE      PHE  19   6.308 -10.422  -2.631
  137    HZ   PHE  19           HZ       PHE  19   7.106  -9.693  -4.844
  138    H    HIS  20           H        HIS  20  -1.165 -10.256  -3.233
  139    HA   HIS  20           HA       HIS  20  -1.883  -8.146  -4.995
  140   1HB   HIS  20          2HB       HIS  20  -3.002 -10.411  -4.826
  141   2HB   HIS  20          1HB       HIS  20  -3.779  -9.830  -3.357
  142    HD1  HIS  20           1HD      HIS  20  -3.816  -9.426  -7.073
  143    HD2  HIS  20           2HD      HIS  20  -5.853  -7.992  -3.746
  144    HE1  HIS  20           1HE      HIS  20  -5.846  -8.252  -7.982
  145    HE2  HIS  20           2HE      HIS  20  -7.112  -7.476  -5.946
  146    H    LYS  21           H        LYS  21  -2.562  -8.742  -1.554
  147    HA   LYS  21           HA       LYS  21  -4.046  -6.371  -1.152
  148   1HB   LYS  21          2HB       LYS  21  -2.588  -8.202   0.747
  149   2HB   LYS  21          1HB       LYS  21  -3.503  -6.805   1.296
  150   1HG   LYS  21          2HG       LYS  21  -4.695  -9.002  -0.373
  151   2HG   LYS  21          1HG       LYS  21  -4.708  -9.001   1.392
  152   1HD   LYS  21          2HD       LYS  21  -6.712  -7.990   1.056
  153   2HD   LYS  21          1HD       LYS  21  -5.690  -6.553   0.963
  154   1HE   LYS  21          2HE       LYS  21  -6.043  -6.287  -1.249
  155   2HE   LYS  21          1HE       LYS  21  -6.035  -8.022  -1.563
  156   1HZ   LYS  21          1HZ       LYS  21  -8.273  -6.312  -0.693
  157   2HZ   LYS  21          2HZ       LYS  21  -8.301  -7.975  -0.385
  158   3HZ   LYS  21          3HZ       LYS  21  -8.210  -7.412  -1.977
  159    H    ILE  22           H        ILE  22  -0.626  -7.147  -0.633
  160    HA   ILE  22           HA       ILE  22   0.103  -4.709   0.540
  161    HB   ILE  22           HB       ILE  22   2.373  -5.330   0.122
  162   1HG1  ILE  22          2HG1      ILE  22   1.326  -7.420  -1.782
  163   2HG1  ILE  22          1HG1      ILE  22   2.169  -5.947  -2.247
  164   1HG2  ILE  22          1HG2      ILE  22   1.919  -6.670   1.843
  165   2HG2  ILE  22          2HG2      ILE  22   2.022  -7.966   0.652
  166   3HG2  ILE  22          3HG2      ILE  22   0.451  -7.294   1.090
  167   1HD1  ILE  22          1HD1      ILE  22   3.242  -8.389  -0.911
  168   2HD1  ILE  22          2HD1      ILE  22   4.068  -6.839  -0.747
  169   3HD1  ILE  22          3HD1      ILE  22   3.826  -7.546  -2.346
  170    H    PHE  23           H        PHE  23   0.128  -5.784  -2.841
  171    HA   PHE  23           HA       PHE  23   1.308  -3.468  -3.924
  172   1HB   PHE  23          2HB       PHE  23   0.814  -5.790  -5.016
  173   2HB   PHE  23          1HB       PHE  23  -0.734  -5.066  -5.437
  174    HD1  PHE  23           1HD      PHE  23  -0.932  -3.679  -7.301
  175    HD2  PHE  23           2HD      PHE  23   2.930  -4.617  -5.778
  176    HE1  PHE  23           1HE      PHE  23   0.096  -2.629  -9.273
  177    HE2  PHE  23           2HE      PHE  23   3.966  -3.568  -7.749
  178    HZ   PHE  23           HZ       PHE  23   2.548  -2.572  -9.500
  179    H    THR  24           H        THR  24  -2.123  -4.437  -3.878
  180    HA   THR  24           HA       THR  24  -3.210  -2.098  -4.869
  181    HB   THR  24           HB       THR  24  -4.170  -4.503  -3.890
  182    HG1  THR  24           1HG      THR  24  -5.012  -3.340  -5.628
  183   1HG2  THR  24          1HG2      THR  24  -6.020  -3.943  -2.410
  184   2HG2  THR  24          2HG2      THR  24  -5.407  -2.297  -2.260
  185   3HG2  THR  24          3HG2      THR  24  -4.462  -3.650  -1.638
  186    H    SER  25           H        SER  25  -2.573  -2.973  -1.484
  187    HA   SER  25           HA       SER  25  -3.585  -0.723  -0.231
  188   1HB   SER  25          2HB       SER  25  -2.756  -2.713   0.974
  189   2HB   SER  25          1HB       SER  25  -1.102  -2.276   0.544
  190    HG   SER  25           HG       SER  25  -1.119  -0.721   1.994
  191    H    SER  26           H        SER  26  -0.301  -1.247  -1.479
  192    HA   SER  26           HA       SER  26   0.797   1.214  -0.794
  193   1HB   SER  26          2HB       SER  26   2.569   0.691  -2.247
  194   2HB   SER  26          1HB       SER  26   1.942  -0.885  -1.765
  195    HG   SER  26           HG       SER  26   1.207  -1.216  -3.737
  196    H    ILE  27           H        ILE  27  -1.123   0.281  -3.601
  197    HA   ILE  27           HA       ILE  27  -0.746   2.667  -5.073
  198    HB   ILE  27           HB       ILE  27  -3.122   0.807  -5.195
  199   1HG1  ILE  27          2HG1      ILE  27  -0.798   0.665  -7.075
  200   2HG1  ILE  27          1HG1      ILE  27  -0.667  -0.106  -5.498
  201   1HG2  ILE  27          1HG2      ILE  27  -2.773   3.237  -6.418
  202   2HG2  ILE  27          2HG2      ILE  27  -3.836   1.948  -6.980
  203   3HG2  ILE  27          3HG2      ILE  27  -2.209   2.103  -7.645
  204   1HD1  ILE  27          1HD1      ILE  27  -1.772  -1.860  -6.254
  205   2HD1  ILE  27          2HD1      ILE  27  -1.870  -1.100  -7.843
  206   3HD1  ILE  27          3HD1      ILE  27  -3.154  -0.841  -6.661
  207    H    LEU  28           H        LEU  28  -3.458   1.607  -3.016
  208    HA   LEU  28           HA       LEU  28  -4.934   3.998  -3.243
  209   1HB   LEU  28          2HB       LEU  28  -5.054   2.141  -0.884
  210   2HB   LEU  28          1HB       LEU  28  -6.337   3.136  -1.547
  211    HG   LEU  28           HG       LEU  28  -5.290   1.168  -3.448
  212   1HD1  LEU  28          1HD1      LEU  28  -6.509   0.283  -0.849
  213   2HD1  LEU  28          2HD1      LEU  28  -5.016  -0.274  -1.606
  214   3HD1  LEU  28          3HD1      LEU  28  -6.575  -0.693  -2.316
  215   1HD2  LEU  28          1HD2      LEU  28  -7.401   2.678  -3.496
  216   2HD2  LEU  28          2HD2      LEU  28  -8.111   1.411  -2.496
  217   3HD2  LEU  28          3HD2      LEU  28  -7.497   1.026  -4.105
  218    H    VAL  29           H        VAL  29  -2.590   2.908  -0.856
  219    HA   VAL  29           HA       VAL  29  -2.887   5.098   0.899
  220    HB   VAL  29           HB       VAL  29  -0.919   4.283   2.012
  221   1HG1  VAL  29          1HG1      VAL  29  -2.555   2.907   2.745
  222   2HG1  VAL  29          2HG1      VAL  29  -1.562   1.697   1.931
  223   3HG1  VAL  29          3HG1      VAL  29  -2.978   2.367   1.120
  224   1HG2  VAL  29          1HG2      VAL  29  -0.448   2.769  -0.524
  225   2HG2  VAL  29          2HG2      VAL  29   0.286   2.272   0.998
  226   3HG2  VAL  29          3HG2      VAL  29   0.642   3.863   0.324
  227    H    PHE  30           H        PHE  30  -0.616   4.353  -1.721
  228    HA   PHE  30           HA       PHE  30   1.026   6.634  -1.399
  229   1HB   PHE  30          2HB       PHE  30   1.639   4.608  -2.719
  230   2HB   PHE  30          1HB       PHE  30   0.461   5.083  -3.938
  231    HD1  PHE  30           1HD      PHE  30   0.771   7.453  -4.955
  232    HD2  PHE  30           2HD      PHE  30   3.828   5.311  -2.912
  233    HE1  PHE  30           1HE      PHE  30   2.476   8.833  -6.069
  234    HE2  PHE  30           2HE      PHE  30   5.539   6.687  -4.022
  235    HZ   PHE  30           HZ       PHE  30   4.864   8.452  -5.602
  236    H    PHE  31           H        PHE  31  -1.953   6.035  -3.068
  237    HA   PHE  31           HA       PHE  31  -2.010   8.700  -4.253
  238   1HB   PHE  31          2HB       PHE  31  -2.900   6.261  -5.182
  239   2HB   PHE  31          1HB       PHE  31  -4.384   7.012  -4.605
  240    HD1  PHE  31           1HD      PHE  31  -3.952   9.828  -5.217
  241    HD2  PHE  31           2HD      PHE  31  -2.983   6.361  -7.486
  242    HE1  PHE  31           1HE      PHE  31  -4.089  11.150  -7.287
  243    HE2  PHE  31           2HE      PHE  31  -3.118   7.677  -9.561
  244    HZ   PHE  31           HZ       PHE  31  -3.671  10.075  -9.463
  245    H    GLY  32           H        GLY  32  -3.025   7.026  -1.502
  246   1HA   GLY  32          2HA       GLY  32  -5.355   8.648  -0.947
  247   2HA   GLY  32          1HA       GLY  32  -4.620   7.449   0.121
  248    H    VAL  33           H        VAL  33  -2.011   8.364  -0.135
  249    HA   VAL  33           HA       VAL  33  -1.928  10.430   1.830
  250    HB   VAL  33           HB       VAL  33   0.480  10.150   1.659
  251   1HG1  VAL  33          1HG1      VAL  33   0.400   7.482   1.891
  252   2HG1  VAL  33          2HG1      VAL  33  -1.312   7.868   2.072
  253   3HG1  VAL  33          3HG1      VAL  33  -0.125   8.587   3.161
  254   1HG2  VAL  33          1HG2      VAL  33   1.339   8.329   0.129
  255   2HG2  VAL  33          2HG2      VAL  33   0.912   9.878  -0.600
  256   3HG2  VAL  33          3HG2      VAL  33  -0.192   8.511  -0.720
  257    H    ALA  34           H        ALA  34  -1.009  10.058  -1.566
  258    HA   ALA  34           HA       ALA  34   0.005  12.643  -1.981
  259   1HB   ALA  34          1HB       ALA  34  -0.975  10.459  -3.769
  260   2HB   ALA  34          2HB       ALA  34   0.639  11.156  -3.629
  261   3HB   ALA  34          3HB       ALA  34  -0.643  12.056  -4.440
  262    H    ALA  35           H        ALA  35  -3.201  11.219  -2.325
  263    HA   ALA  35           HA       ALA  35  -4.493  13.434  -3.493
  264   1HB   ALA  35          1HB       ALA  35  -5.704  11.456  -3.638
  265   2HB   ALA  35          2HB       ALA  35  -6.558  12.329  -2.365
  266   3HB   ALA  35          3HB       ALA  35  -5.425  11.043  -1.946
  267    H    PHE  36           H        PHE  36  -4.514  12.287  -0.118
  268    HA   PHE  36           HA       PHE  36  -5.698  14.631   0.931
  269   1HB   PHE  36          2HB       PHE  36  -4.008  12.493   2.252
  270   2HB   PHE  36          1HB       PHE  36  -4.841  13.771   3.131
  271    HD1  PHE  36           1HD      PHE  36  -5.067  10.538   2.896
  272    HD2  PHE  36           2HD      PHE  36  -7.411  13.887   1.714
  273    HE1  PHE  36           1HE      PHE  36  -7.093   9.145   2.984
  274    HE2  PHE  36           2HE      PHE  36  -9.442  12.500   1.800
  275    HZ   PHE  36           HZ       PHE  36  -9.285  10.126   2.436
  276    H    ALA  37           H        ALA  37  -2.444  13.679   0.159
  277    HA   ALA  37           HA       ALA  37  -0.942  15.511   1.618
  278   1HB   ALA  37          1HB       ALA  37   0.611  15.323  -0.484
  279   2HB   ALA  37          2HB       ALA  37  -0.545  14.091  -0.978
  280   3HB   ALA  37          3HB       ALA  37   0.332  13.912   0.538
  281    H    HIS  38           H        HIS  38  -2.346  15.836  -1.634
  282    HA   HIS  38           HA       HIS  38  -1.532  18.546  -1.963
  283   1HB   HIS  38          2HB       HIS  38  -3.623  16.877  -3.378
  284   2HB   HIS  38          1HB       HIS  38  -3.205  18.521  -3.851
  285    HD1  HIS  38           1HD      HIS  38  -0.072  17.371  -2.957
  286    HD2  HIS  38           2HD      HIS  38  -2.596  16.434  -6.122
  287    HE1  HIS  38           1HE      HIS  38   1.414  16.396  -4.736
  288    HE2  HIS  38           2HE      HIS  38  -0.141  15.791  -6.624
  289    H    LEU  39           H        LEU  39  -4.391  16.919  -0.747
  290    HA   LEU  39           HA       LEU  39  -6.005  19.256  -0.524
  291   1HB   LEU  39          2HB       LEU  39  -6.457  16.567  -0.323
  292   2HB   LEU  39          1HB       LEU  39  -6.543  17.062   1.357
  293    HG   LEU  39           HG       LEU  39  -8.237  18.797   0.655
  294   1HD1  LEU  39          1HD1      LEU  39  -9.426  18.154  -1.513
  295   2HD1  LEU  39          2HD1      LEU  39  -7.938  17.304  -1.930
  296   3HD1  LEU  39          3HD1      LEU  39  -7.910  19.045  -1.647
  297   1HD2  LEU  39          1HD2      LEU  39  -8.871  15.879   0.240
  298   2HD2  LEU  39          2HD2      LEU  39 -10.072  17.149   0.471
  299   3HD2  LEU  39          3HD2      LEU  39  -8.929  16.770   1.761
  300    H    LEU  40           H        LEU  40  -3.405  17.991   1.307
  301    HA   LEU  40           HA       LEU  40  -4.145  19.450   3.721
  302   1HB   LEU  40          2HB       LEU  40  -1.832  17.612   3.115
  303   2HB   LEU  40          1HB       LEU  40  -2.076  18.411   4.656
  304    HG   LEU  40           HG       LEU  40  -4.339  16.782   3.660
  305   1HD1  LEU  40          1HD1      LEU  40  -2.185  15.500   3.158
  306   2HD1  LEU  40          2HD1      LEU  40  -3.406  14.692   4.139
  307   3HD1  LEU  40          3HD1      LEU  40  -1.986  15.400   4.908
  308   1HD2  LEU  40          1HD2      LEU  40  -4.321  18.002   5.824
  309   2HD2  LEU  40          2HD2      LEU  40  -3.002  16.959   6.354
  310   3HD2  LEU  40          3HD2      LEU  40  -4.582  16.266   5.988
  311    H    VAL  41           H        VAL  41  -2.173  19.824   0.923
  312    HA   VAL  41           HA       VAL  41  -0.182  21.516   2.001
  313    HB   VAL  41           HB       VAL  41  -0.034  20.379  -0.223
  314   1HG1  VAL  41          1HG1      VAL  41  -1.192  22.431  -1.822
  315   2HG1  VAL  41          2HG1      VAL  41  -2.421  21.816  -0.717
  316   3HG1  VAL  41          3HG1      VAL  41  -1.567  20.708  -1.790
  317   1HG2  VAL  41          1HG2      VAL  41   1.450  22.248   0.498
  318   2HG2  VAL  41          2HG2      VAL  41   0.387  23.359  -0.366
  319   3HG2  VAL  41          3HG2      VAL  41   1.262  22.109  -1.251
  320    H    TRP  42           H        TRP  42  -3.490  22.049   1.518
  321    HA   TRP  42           HA       TRP  42  -4.806  23.874   1.847
  322   1HB   TRP  42          2HB       TRP  42  -2.779  24.356   3.514
  323   2HB   TRP  42          1HB       TRP  42  -2.505  25.685   2.394
  324    HD1  TRP  42           HD       TRP  42  -6.069  25.388   2.294
  325    HE1  TRP  42           1HE      TRP  42  -7.231  26.953   3.975
  326    HE3  TRP  42           3HE      TRP  42  -2.057  26.527   5.253
  327    HZ2  TRP  42           2HZ      TRP  42  -6.539  28.469   6.252
  328    HZ3  TRP  42           3HZ      TRP  42  -2.393  28.043   7.163
  329    HH2  TRP  42           HH       TRP  42  -4.589  28.993   7.650
  330    H    ILE  43           H        ILE  43  -4.763  23.492  -0.604
  331    HA   ILE  43           HA       ILE  43  -4.311  26.088  -1.861
  332    HB   ILE  43           HB       ILE  43  -3.321  23.532  -3.132
  333   1HG1  ILE  43          2HG1      ILE  43  -1.916  24.274  -1.224
  334   2HG1  ILE  43          1HG1      ILE  43  -1.075  24.379  -2.768
  335   1HG2  ILE  43          1HG2      ILE  43  -4.166  25.830  -4.359
  336   2HG2  ILE  43          2HG2      ILE  43  -3.036  24.661  -5.041
  337   3HG2  ILE  43          3HG2      ILE  43  -2.429  26.094  -4.213
  338   1HD1  ILE  43          1HD1      ILE  43  -1.232  26.352  -0.873
  339   2HD1  ILE  43          2HD1      ILE  43  -2.440  26.842  -2.060
  340   3HD1  ILE  43          3HD1      ILE  43  -0.771  26.569  -2.561
  341    H    TRP  44           H        TRP  44  -5.658  22.830  -2.089
  342    HA   TRP  44           HA       TRP  44  -7.790  22.205  -2.696
  343   1HB   TRP  44          2HB       TRP  44  -8.197  24.887  -2.520
  344   2HB   TRP  44          1HB       TRP  44  -8.457  24.633  -4.243
  345    HD1  TRP  44           HD       TRP  44 -10.067  22.037  -4.393
  346    HE1  TRP  44           1HE      TRP  44 -12.411  21.824  -3.352
  347    HE3  TRP  44           3HE      TRP  44  -9.797  25.847  -0.994
  348    HZ2  TRP  44           2HZ      TRP  44 -13.944  23.102  -1.355
  349    HZ3  TRP  44           3HZ      TRP  44 -11.746  26.286   0.443
  350    HH2  TRP  44           HH       TRP  44 -13.776  24.941   0.264
  351    H    ARG  45           H        ARG  45  -5.308  21.953  -4.165
  352    HA   ARG  45           HA       ARG  45  -6.247  20.749  -6.504
  353   1HB   ARG  45          2HB       ARG  45  -5.126  22.320  -8.162
  354   2HB   ARG  45          1HB       ARG  45  -6.649  22.867  -7.474
  355   1HG   ARG  45          2HG       ARG  45  -5.439  24.290  -5.905
  356   2HG   ARG  45          1HG       ARG  45  -3.906  23.733  -6.582
  357   1HD   ARG  45          2HD       ARG  45  -4.677  25.948  -7.443
  358   2HD   ARG  45          1HD       ARG  45  -4.388  24.737  -8.691
  359    HE   ARG  45           HE       ARG  45  -6.618  24.787  -9.216
  360   1HH1  ARG  45          1HH1      ARG  45  -6.135  26.380  -6.149
  361   2HH1  ARG  45          2HH1      ARG  45  -7.757  26.980  -6.063
  362   1HH2  ARG  45          1HH2      ARG  45  -8.752  25.576  -9.105
  363   2HH2  ARG  45          2HH2      ARG  45  -9.242  26.524  -7.741
  364    HA   PRO  46           HA       PRO  46  -2.275  18.870  -6.265
  365   1HB   PRO  46          2HB       PRO  46  -1.706  18.379  -8.898
  366   2HB   PRO  46          1HB       PRO  46  -2.838  17.418  -7.941
  367   1HG   PRO  46          2HG       PRO  46  -3.393  19.631  -9.878
  368   2HG   PRO  46          1HG       PRO  46  -4.245  18.089  -9.663
  369   1HD   PRO  46          2HD       PRO  46  -5.211  20.397  -8.671
  370   2HD   PRO  46          1HD       PRO  46  -5.422  18.851  -7.824
  371    H    TRP  47           H        TRP  47  -0.526  19.998  -5.702
  372    HA   TRP  47           HA       TRP  47   0.259  22.465  -6.675
  373   1HB   TRP  47          2HB       TRP  47   1.060  21.260  -4.574
  374   2HB   TRP  47          1HB       TRP  47   2.203  20.417  -5.613
  375    HD1  TRP  47           HD       TRP  47   4.145  21.932  -6.768
  376    HE1  TRP  47           1HE      TRP  47   5.211  24.148  -6.008
  377    HE3  TRP  47           3HE      TRP  47   0.599  23.429  -3.403
  378    HZ2  TRP  47           2HZ      TRP  47   4.627  26.252  -4.219
  379    HZ3  TRP  47           3HZ      TRP  47   0.928  25.556  -2.209
  380    HH2  TRP  47           HH       TRP  47   2.902  26.936  -2.610
  381    H    VAL  48           H        VAL  48   0.895  19.286  -7.948
  382    HA   VAL  48           HA       VAL  48   3.036  20.036  -9.674
  383    HB   VAL  48           HB       VAL  48   1.181  17.683 -10.020
  384   1HG1  VAL  48          1HG1      VAL  48   2.777  18.355 -11.874
  385   2HG1  VAL  48          2HG1      VAL  48   2.904  16.696 -11.289
  386   3HG1  VAL  48          3HG1      VAL  48   4.081  17.905 -10.776
  387   1HG2  VAL  48          1HG2      VAL  48   1.897  17.262  -7.888
  388   2HG2  VAL  48          2HG2      VAL  48   3.400  18.160  -8.097
  389   3HG2  VAL  48          3HG2      VAL  48   3.228  16.551  -8.801
  390    HA   PRO  49           HA       PRO  49   0.254  22.140 -12.551
  391   1HB   PRO  49          2HB       PRO  49   2.217  23.050 -14.203
  392   2HB   PRO  49          1HB       PRO  49   1.793  23.838 -12.678
  393   1HG   PRO  49          2HG       PRO  49   4.034  21.943 -13.273
  394   2HG   PRO  49          1HG       PRO  49   4.053  23.435 -12.312
  395   1HD   PRO  49          2HD       PRO  49   3.938  20.988 -11.174
  396   2HD   PRO  49          1HD       PRO  49   3.138  22.404 -10.460
  397    H    GLY  50           H        GLY  50  -0.239  19.714 -12.990
  398   1HA   GLY  50          2HA       GLY  50  -0.652  18.102 -14.569
  399   2HA   GLY  50          1HA       GLY  50  -0.222  19.312 -15.767
  400    HA   PRO  51           HA       PRO  51   3.112  15.902 -15.226
  401   1HB   PRO  51          2HB       PRO  51   2.405  14.168 -17.185
  402   2HB   PRO  51          1HB       PRO  51   1.826  14.017 -15.522
  403   1HG   PRO  51          2HG       PRO  51   0.446  15.184 -17.910
  404   2HG   PRO  51          1HG       PRO  51  -0.204  14.111 -16.656
  405   1HD   PRO  51          2HD       PRO  51  -0.627  16.788 -16.654
  406   2HD   PRO  51          1HD       PRO  51  -0.508  15.837 -15.161
  407    H    ASN  52           H        ASN  52   1.538  17.377 -17.994
  408    HA   ASN  52           HA       ASN  52   4.184  17.754 -19.225
  409   1HB   ASN  52          2HB       ASN  52   2.872  16.006 -20.431
  410   2HB   ASN  52          1HB       ASN  52   1.629  17.211 -20.751
  411   1HD2  ASN  52          1HD2      ASN  52   1.738  17.589 -22.853
  412   2HD2  ASN  52          2HD2      ASN  52   3.169  18.011 -23.726
  413    H    GLY  53           H        GLY  53   2.662  19.510 -17.490
  414   1HA   GLY  53          2HA       GLY  53   2.394  21.805 -17.398
  415   2HA   GLY  53          1HA       GLY  53   2.799  21.883 -19.105
  416    H    TYR  54           H        TYR  54   0.878  23.538 -18.247
  417    HA   TYR  54           HA       TYR  54  -1.735  22.349 -18.531
  418   1HB   TYR  54          2HB       TYR  54  -1.320  24.284 -17.028
  419   2HB   TYR  54          1HB       TYR  54  -0.958  25.271 -18.441
  420    HD1  TYR  54           1HD      TYR  54  -2.651  26.646 -19.173
  421    HD2  TYR  54           2HD      TYR  54  -3.680  22.974 -17.286
  422    HE1  TYR  54           1HE      TYR  54  -5.035  27.206 -19.396
  423    HE2  TYR  54           2HE      TYR  54  -6.066  23.522 -17.506
  424    HH   TYR  54           HH       TYR  54  -7.449  25.086 -19.187
  425    H    SER  55           H        SER  55  -3.299  23.169 -20.138
  426    HA   SER  55           HA       SER  55  -2.080  23.167 -22.775
  427   1HB   SER  55          2HB       SER  55  -5.033  23.375 -22.435
  428   2HB   SER  55          1HB       SER  55  -4.095  22.410 -23.575
  429    HG   SER  55           HG       SER  55  -4.765  20.911 -22.194
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   6.197 -33.399  -5.411
    2    HA   ALA   1           HA       ALA   1   5.432 -35.784  -4.076
    3   1HB   ALA   1          1HB       ALA   1   5.965 -34.712  -1.696
    4   2HB   ALA   1          2HB       ALA   1   7.343 -34.078  -2.594
    5   3HB   ALA   1          3HB       ALA   1   7.071 -35.819  -2.509
    6    H    GLU   2           H        GLU   2   3.355 -35.576  -3.507
    7    HA   GLU   2           HA       GLU   2   1.311 -34.653  -3.130
    8   1HB   GLU   2          2HB       GLU   2   2.862 -33.630  -1.217
    9   2HB   GLU   2          1HB       GLU   2   2.492 -32.135  -2.066
   10   1HG   GLU   2          2HG       GLU   2   0.158 -33.816  -1.555
   11   2HG   GLU   2          1HG       GLU   2   0.978 -33.254  -0.097
   12    H    VAL   3           H        VAL   3   2.654 -34.164  -5.649
   13    HA   VAL   3           HA       VAL   3   1.755 -31.478  -6.383
   14    HB   VAL   3           HB       VAL   3   2.828 -32.046  -8.608
   15   1HG1  VAL   3          1HG1      VAL   3   4.311 -31.789  -6.028
   16   2HG1  VAL   3          2HG1      VAL   3   4.089 -30.607  -7.318
   17   3HG1  VAL   3          3HG1      VAL   3   5.202 -31.956  -7.540
   18   1HG2  VAL   3          1HG2      VAL   3   3.891 -34.000  -8.982
   19   2HG2  VAL   3          2HG2      VAL   3   2.796 -34.600  -7.735
   20   3HG2  VAL   3          3HG2      VAL   3   4.445 -34.139  -7.314
   21    H    LYS   4           H        LYS   4  -0.482 -31.771  -6.396
   22    HA   LYS   4           HA       LYS   4  -1.598 -32.660  -8.828
   23   1HB   LYS   4          2HB       LYS   4  -1.115 -34.790  -7.224
   24   2HB   LYS   4          1HB       LYS   4  -2.733 -34.355  -6.688
   25   1HG   LYS   4          2HG       LYS   4  -3.004 -35.962  -8.388
   26   2HG   LYS   4          1HG       LYS   4  -3.425 -34.408  -9.109
   27   1HD   LYS   4          2HD       LYS   4  -1.451 -34.313 -10.348
   28   2HD   LYS   4          1HD       LYS   4  -0.641 -35.499  -9.323
   29   1HE   LYS   4          2HE       LYS   4  -1.123 -36.922 -10.996
   30   2HE   LYS   4          1HE       LYS   4  -2.720 -36.964 -10.251
   31   1HZ   LYS   4          1HZ       LYS   4  -3.564 -35.470 -11.816
   32   2HZ   LYS   4          2HZ       LYS   4  -2.615 -36.530 -12.729
   33   3HZ   LYS   4          3HZ       LYS   4  -2.029 -34.991 -12.342
   34    H    GLN   5           H        GLN   5  -1.751 -30.297  -7.514
   35    HA   GLN   5           HA       GLN   5  -3.106 -28.822  -6.339
   36   1HB   GLN   5          2HB       GLN   5  -5.180 -28.439  -7.626
   37   2HB   GLN   5          1HB       GLN   5  -3.767 -28.625  -8.655
   38   1HG   GLN   5          2HG       GLN   5  -4.422 -30.990  -9.028
   39   2HG   GLN   5          1HG       GLN   5  -5.900 -30.677  -8.121
   40   1HE2  GLN   5          1HE2      GLN   5  -6.711 -28.282  -8.987
   41   2HE2  GLN   5          2HE2      GLN   5  -7.044 -28.314 -10.682
   42    H    GLU   6           H        GLU   6  -3.033 -30.993  -4.719
   43    HA   GLU   6           HA       GLU   6  -5.563 -32.131  -4.146
   44   1HB   GLU   6          2HB       GLU   6  -2.987 -31.907  -2.613
   45   2HB   GLU   6          1HB       GLU   6  -4.422 -32.605  -1.875
   46   1HG   GLU   6          2HG       GLU   6  -4.327 -33.969  -4.213
   47   2HG   GLU   6          1HG       GLU   6  -2.612 -33.702  -3.903
   48    H    SER   7           H        SER   7  -3.885 -29.263  -3.003
   49    HA   SER   7           HA       SER   7  -6.266 -27.978  -2.212
   50   1HB   SER   7          2HB       SER   7  -6.257 -28.102   0.118
   51   2HB   SER   7          1HB       SER   7  -5.833 -29.748  -0.351
   52    HG   SER   7           HG       SER   7  -3.859 -29.470   0.392
   53    H    LEU   8           H        LEU   8  -3.893 -27.450  -3.733
   54    HA   LEU   8           HA       LEU   8  -2.101 -25.765  -2.362
   55   1HB   LEU   8          2HB       LEU   8  -1.225 -25.169  -4.443
   56   2HB   LEU   8          1HB       LEU   8  -1.766 -26.827  -4.624
   57    HG   LEU   8           HG       LEU   8  -3.108 -24.345  -5.690
   58   1HD1  LEU   8          1HD1      LEU   8  -1.571 -24.810  -7.284
   59   2HD1  LEU   8          2HD1      LEU   8  -2.811 -25.956  -7.793
   60   3HD1  LEU   8          3HD1      LEU   8  -1.444 -26.509  -6.826
   61   1HD2  LEU   8          1HD2      LEU   8  -4.774 -25.890  -6.662
   62   2HD2  LEU   8          2HD2      LEU   8  -4.838 -25.829  -4.900
   63   3HD2  LEU   8          3HD2      LEU   8  -4.078 -27.200  -5.708
   64    H    SER   9           H        SER   9  -5.348 -25.248  -2.972
   65    HA   SER   9           HA       SER   9  -5.486 -22.590  -3.774
   66   1HB   SER   9          2HB       SER   9  -7.695 -22.545  -2.687
   67   2HB   SER   9          1HB       SER   9  -7.464 -24.040  -3.592
   68    HG   SER   9           HG       SER   9  -8.176 -23.864  -1.121
   69    H    GLY  10           H        GLY  10  -4.455 -23.970  -0.783
   70   1HA   GLY  10          2HA       GLY  10  -4.807 -21.595   0.796
   71   2HA   GLY  10          1HA       GLY  10  -3.909 -23.034   1.258
   72    H    ILE  11           H        ILE  11  -2.218 -22.998  -1.131
   73    HA   ILE  11           HA       ILE  11  -0.258 -21.108  -0.151
   74    HB   ILE  11           HB       ILE  11  -0.130 -23.093  -2.429
   75   1HG1  ILE  11          2HG1      ILE  11   1.470 -24.239  -0.825
   76   2HG1  ILE  11          1HG1      ILE  11   0.901 -23.122   0.410
   77   1HG2  ILE  11          1HG2      ILE  11   2.429 -22.621  -1.975
   78   2HG2  ILE  11          2HG2      ILE  11   1.805 -21.056  -1.455
   79   3HG2  ILE  11          3HG2      ILE  11   1.494 -21.629  -3.094
   80   1HD1  ILE  11          1HD1      ILE  11  -0.138 -25.530   0.084
   81   2HD1  ILE  11          2HD1      ILE  11  -1.140 -24.660  -1.077
   82   3HD1  ILE  11          3HD1      ILE  11  -1.105 -24.153   0.612
   83    H    THR  12           H        THR  12  -2.012 -21.662  -3.193
   84    HA   THR  12           HA       THR  12  -0.946 -19.457  -4.580
   85    HB   THR  12           HB       THR  12  -3.284 -19.732  -5.824
   86    HG1  THR  12           1HG      THR  12  -4.406 -21.139  -4.714
   87   1HG2  THR  12          1HG2      THR  12  -2.251 -21.027  -7.350
   88   2HG2  THR  12          2HG2      THR  12  -1.614 -22.142  -6.141
   89   3HG2  THR  12          3HG2      THR  12  -0.830 -20.584  -6.405
   90    H    GLU  13           H        GLU  13  -3.938 -19.833  -2.701
   91    HA   GLU  13           HA       GLU  13  -4.778 -17.135  -3.097
   92   1HB   GLU  13          2HB       GLU  13  -6.287 -19.077  -2.538
   93   2HB   GLU  13          1HB       GLU  13  -5.651 -19.014  -0.900
   94   1HG   GLU  13          2HG       GLU  13  -6.390 -16.515  -1.019
   95   2HG   GLU  13          1HG       GLU  13  -7.433 -17.095  -2.317
   96    H    GLY  14           H        GLY  14  -2.823 -18.793  -0.722
   97   1HA   GLY  14          2HA       GLY  14  -2.880 -16.816   1.299
   98   2HA   GLY  14          1HA       GLY  14  -1.629 -18.033   1.089
   99    H    GLU  15           H        GLU  15  -0.247 -17.529  -0.998
  100    HA   GLU  15           HA       GLU  15   1.201 -15.184  -0.445
  101   1HB   GLU  15          2HB       GLU  15   1.237 -16.720  -3.046
  102   2HB   GLU  15          1HB       GLU  15   2.519 -15.715  -2.385
  103   1HG   GLU  15          2HG       GLU  15   1.685 -17.898  -0.629
  104   2HG   GLU  15          1HG       GLU  15   2.370 -18.421  -2.166
  105    H    ALA  16           H        ALA  16  -1.203 -15.958  -2.914
  106    HA   ALA  16           HA       ALA  16  -1.054 -13.583  -4.392
  107   1HB   ALA  16          1HB       ALA  16  -3.351 -14.147  -5.134
  108   2HB   ALA  16          2HB       ALA  16  -3.396 -15.424  -3.918
  109   3HB   ALA  16          3HB       ALA  16  -2.234 -15.508  -5.242
  110    H    LYS  17           H        LYS  17  -2.980 -14.457  -1.558
  111    HA   LYS  17           HA       LYS  17  -4.509 -12.110  -1.393
  112   1HB   LYS  17          2HB       LYS  17  -5.054 -14.142  -0.140
  113   2HB   LYS  17          1HB       LYS  17  -3.591 -13.958   0.817
  114   1HG   LYS  17          2HG       LYS  17  -5.007 -13.003   2.279
  115   2HG   LYS  17          1HG       LYS  17  -4.738 -11.575   1.278
  116   1HD   LYS  17          2HD       LYS  17  -6.739 -12.254  -0.071
  117   2HD   LYS  17          1HD       LYS  17  -7.046 -13.509   1.132
  118   1HE   LYS  17          2HE       LYS  17  -7.041 -11.657   2.861
  119   2HE   LYS  17          1HE       LYS  17  -7.075 -10.523   1.511
  120   1HZ   LYS  17          1HZ       LYS  17  -9.084 -12.111   0.839
  121   2HZ   LYS  17          2HZ       LYS  17  -9.285 -10.739   1.808
  122   3HZ   LYS  17          3HZ       LYS  17  -9.170 -12.269   2.521
  123    H    GLU  18           H        GLU  18  -1.375 -12.966   0.018
  124    HA   GLU  18           HA       GLU  18  -1.044 -10.603   1.524
  125   1HB   GLU  18          2HB       GLU  18   0.298 -12.931   1.401
  126   2HB   GLU  18          1HB       GLU  18   1.372 -11.934   0.430
  127   1HG   GLU  18          2HG       GLU  18   1.452 -10.305   2.307
  128   2HG   GLU  18          1HG       GLU  18   0.519 -11.447   3.273
  129    H    PHE  19           H        PHE  19   0.493 -11.541  -1.553
  130    HA   PHE  19           HA       PHE  19   1.658  -9.065  -2.097
  131   1HB   PHE  19          2HB       PHE  19   1.858 -11.473  -3.235
  132   2HB   PHE  19          1HB       PHE  19   0.748 -10.733  -4.384
  133    HD1  PHE  19           1HD      PHE  19   1.437  -8.551  -5.475
  134    HD2  PHE  19           2HD      PHE  19   4.145 -11.030  -3.324
  135    HE1  PHE  19           1HE      PHE  19   3.329  -7.449  -6.596
  136    HE2  PHE  19           2HE      PHE  19   6.043  -9.932  -4.440
  137    HZ   PHE  19           HZ       PHE  19   5.637  -8.140  -6.079
  138    H    HIS  20           H        HIS  20  -1.589 -10.227  -2.621
  139    HA   HIS  20           HA       HIS  20  -2.351  -8.189  -4.471
  140   1HB   HIS  20          2HB       HIS  20  -3.556 -10.317  -4.359
  141   2HB   HIS  20          1HB       HIS  20  -4.053  -9.964  -2.708
  142    HD1  HIS  20           1HD      HIS  20  -6.420  -9.286  -2.656
  143    HD2  HIS  20           2HD      HIS  20  -4.512  -7.923  -6.086
  144    HE1  HIS  20           1HE      HIS  20  -8.167  -8.005  -3.933
  145    HE2  HIS  20           2HE      HIS  20  -6.967  -7.120  -5.963
  146    H    LYS  21           H        LYS  21  -3.221  -8.719  -1.048
  147    HA   LYS  21           HA       LYS  21  -4.493  -6.258  -0.671
  148   1HB   LYS  21          2HB       LYS  21  -4.726  -8.149   0.876
  149   2HB   LYS  21          1HB       LYS  21  -3.049  -7.961   1.366
  150   1HG   LYS  21          2HG       LYS  21  -3.489  -5.898   2.428
  151   2HG   LYS  21          1HG       LYS  21  -5.089  -5.781   1.692
  152   1HD   LYS  21          2HD       LYS  21  -4.615  -8.200   3.302
  153   2HD   LYS  21          1HD       LYS  21  -4.629  -6.683   4.203
  154   1HE   LYS  21          2HE       LYS  21  -6.852  -7.854   3.989
  155   2HE   LYS  21          1HE       LYS  21  -6.821  -6.166   3.483
  156   1HZ   LYS  21          1HZ       LYS  21  -6.564  -8.455   1.612
  157   2HZ   LYS  21          2HZ       LYS  21  -6.758  -6.824   1.209
  158   3HZ   LYS  21          3HZ       LYS  21  -8.024  -7.669   1.945
  159    H    ILE  22           H        ILE  22  -1.133  -7.213  -0.012
  160    HA   ILE  22           HA       ILE  22  -0.285  -4.773   1.060
  161    HB   ILE  22           HB       ILE  22   1.963  -5.538   0.680
  162   1HG1  ILE  22          2HG1      ILE  22   2.090  -7.887  -0.537
  163   2HG1  ILE  22          1HG1      ILE  22   0.667  -7.272  -1.367
  164   1HG2  ILE  22          1HG2      ILE  22   1.302  -6.686   2.504
  165   2HG2  ILE  22          2HG2      ILE  22   1.530  -8.064   1.427
  166   3HG2  ILE  22          3HG2      ILE  22  -0.085  -7.401   1.682
  167   1HD1  ILE  22          1HD1      ILE  22   3.402  -6.721  -1.871
  168   2HD1  ILE  22          2HD1      ILE  22   2.609  -5.222  -1.385
  169   3HD1  ILE  22          3HD1      ILE  22   1.979  -6.152  -2.744
  170    H    PHE  23           H        PHE  23  -0.288  -5.974  -2.271
  171    HA   PHE  23           HA       PHE  23   1.079  -3.809  -3.434
  172   1HB   PHE  23          2HB       PHE  23   0.753  -5.924  -4.618
  173   2HB   PHE  23          1HB       PHE  23  -0.987  -5.658  -4.650
  174    HD1  PHE  23           1HD      PHE  23   2.125  -5.091  -6.307
  175    HD2  PHE  23           2HD      PHE  23  -1.863  -3.652  -5.932
  176    HE1  PHE  23           1HE      PHE  23   2.353  -3.909  -8.453
  177    HE2  PHE  23           2HE      PHE  23  -1.642  -2.469  -8.078
  178    HZ   PHE  23           HZ       PHE  23   0.468  -2.596  -9.342
  179    H    THR  24           H        THR  24  -2.416  -4.505  -3.586
  180    HA   THR  24           HA       THR  24  -3.232  -2.069  -4.594
  181    HB   THR  24           HB       THR  24  -4.454  -4.404  -3.756
  182    HG1  THR  24           1HG      THR  24  -5.072  -3.140  -5.514
  183   1HG2  THR  24          1HG2      THR  24  -4.833  -3.571  -1.505
  184   2HG2  THR  24          2HG2      THR  24  -6.350  -3.741  -2.389
  185   3HG2  THR  24          3HG2      THR  24  -5.636  -2.144  -2.160
  186    H    SER  25           H        SER  25  -2.652  -3.020  -1.250
  187    HA   SER  25           HA       SER  25  -3.690  -0.798   0.060
  188   1HB   SER  25          2HB       SER  25  -1.538  -2.776   0.703
  189   2HB   SER  25          1HB       SER  25  -1.744  -1.366   1.743
  190    HG   SER  25           HG       SER  25  -3.087  -2.834   2.604
  191    H    SER  26           H        SER  26  -0.198  -1.306  -0.361
  192    HA   SER  26           HA       SER  26   0.646   1.244   0.161
  193   1HB   SER  26          2HB       SER  26   2.291  -0.451   0.004
  194   2HB   SER  26          1HB       SER  26   1.812  -0.874  -1.639
  195    HG   SER  26           HG       SER  26   2.764   0.947  -2.395
  196    H    ILE  27           H        ILE  27  -0.433  -0.046  -2.963
  197    HA   ILE  27           HA       ILE  27   0.258   2.225  -4.491
  198    HB   ILE  27           HB       ILE  27  -1.551  -0.112  -4.900
  199   1HG1  ILE  27          2HG1      ILE  27  -0.165  -0.430  -6.877
  200   2HG1  ILE  27          1HG1      ILE  27   0.599   1.135  -6.625
  201   1HG2  ILE  27          1HG2      ILE  27  -1.664   2.398  -6.561
  202   2HG2  ILE  27          2HG2      ILE  27  -2.993   1.596  -5.724
  203   3HG2  ILE  27          3HG2      ILE  27  -2.238   0.828  -7.121
  204   1HD1  ILE  27          1HD1      ILE  27   0.898  -1.366  -5.003
  205   2HD1  ILE  27          2HD1      ILE  27   1.405   0.214  -4.406
  206   3HD1  ILE  27          3HD1      ILE  27   2.137  -0.454  -5.864
  207    H    LEU  28           H        LEU  28  -2.710   1.287  -2.822
  208    HA   LEU  28           HA       LEU  28  -4.319   3.450  -3.607
  209   1HB   LEU  28          2HB       LEU  28  -4.347   1.361  -1.522
  210   2HB   LEU  28          1HB       LEU  28  -5.292   2.794  -1.165
  211    HG   LEU  28           HG       LEU  28  -6.614   2.487  -3.135
  212   1HD1  LEU  28          1HD1      LEU  28  -5.392  -0.116  -3.828
  213   2HD1  LEU  28          2HD1      LEU  28  -4.514   1.336  -4.303
  214   3HD1  LEU  28          3HD1      LEU  28  -6.165   1.083  -4.863
  215   1HD2  LEU  28          1HD2      LEU  28  -7.329   1.286  -1.165
  216   2HD2  LEU  28          2HD2      LEU  28  -6.288  -0.073  -1.586
  217   3HD2  LEU  28          3HD2      LEU  28  -7.672   0.326  -2.604
  218    H    VAL  29           H        VAL  29  -2.764   2.893  -0.504
  219    HA   VAL  29           HA       VAL  29  -3.215   5.391   0.614
  220    HB   VAL  29           HB       VAL  29  -1.109   4.759   2.028
  221   1HG1  VAL  29          1HG1      VAL  29  -3.617   4.565   2.554
  222   2HG1  VAL  29          2HG1      VAL  29  -2.483   3.612   3.511
  223   3HG1  VAL  29          3HG1      VAL  29  -3.404   2.847   2.215
  224   1HG2  VAL  29          1HG2      VAL  29  -1.578   1.957   1.462
  225   2HG2  VAL  29          2HG2      VAL  29  -0.060   2.836   1.643
  226   3HG2  VAL  29          3HG2      VAL  29  -0.883   2.809   0.085
  227    H    PHE  30           H        PHE  30  -0.291   4.210  -1.079
  228    HA   PHE  30           HA       PHE  30   1.231   6.546  -0.753
  229   1HB   PHE  30          2HB       PHE  30   2.055   4.292  -1.565
  230   2HB   PHE  30          1HB       PHE  30   1.371   4.695  -3.137
  231    HD1  PHE  30           1HD      PHE  30   4.019   5.427  -0.727
  232    HD2  PHE  30           2HD      PHE  30   2.383   6.382  -4.538
  233    HE1  PHE  30           1HE      PHE  30   6.094   6.611  -1.317
  234    HE2  PHE  30           2HE      PHE  30   4.454   7.567  -5.134
  235    HZ   PHE  30           HZ       PHE  30   6.314   7.683  -3.524
  236    H    PHE  31           H        PHE  31  -1.239   5.673  -3.025
  237    HA   PHE  31           HA       PHE  31  -0.869   8.099  -4.597
  238   1HB   PHE  31          2HB       PHE  31  -2.637   5.675  -4.931
  239   2HB   PHE  31          1HB       PHE  31  -2.839   7.122  -5.912
  240    HD1  PHE  31           1HD      PHE  31  -2.017   6.848  -8.025
  241    HD2  PHE  31           2HD      PHE  31   0.103   5.124  -4.763
  242    HE1  PHE  31           1HE      PHE  31  -0.289   6.043  -9.580
  243    HE2  PHE  31           2HE      PHE  31   1.836   4.317  -6.311
  244    HZ   PHE  31           HZ       PHE  31   1.641   4.776  -8.723
  245    H    GLY  32           H        GLY  32  -2.584   6.959  -1.929
  246   1HA   GLY  32          2HA       GLY  32  -4.931   8.591  -2.190
  247   2HA   GLY  32          1HA       GLY  32  -4.397   7.733  -0.740
  248    H    VAL  33           H        VAL  33  -1.848   8.645  -0.602
  249    HA   VAL  33           HA       VAL  33  -2.150  11.196   0.647
  250    HB   VAL  33           HB       VAL  33   0.440  10.933   0.752
  251   1HG1  VAL  33          1HG1      VAL  33   0.060   9.172   2.636
  252   2HG1  VAL  33          2HG1      VAL  33  -1.641   9.444   2.256
  253   3HG1  VAL  33          3HG1      VAL  33  -0.627  10.791   2.774
  254   1HG2  VAL  33          1HG2      VAL  33  -0.161   8.685  -0.780
  255   2HG2  VAL  33          2HG2      VAL  33   0.290   8.091   0.814
  256   3HG2  VAL  33          3HG2      VAL  33   1.390   9.136  -0.083
  257    H    ALA  34           H        ALA  34  -0.035  10.011  -1.976
  258    HA   ALA  34           HA       ALA  34   0.986  12.375  -2.878
  259   1HB   ALA  34          1HB       ALA  34   1.259  11.350  -5.040
  260   2HB   ALA  34          2HB       ALA  34  -0.014  10.180  -4.694
  261   3HB   ALA  34          3HB       ALA  34   1.507  10.118  -3.803
  262    H    ALA  35           H        ALA  35  -2.135  10.932  -3.718
  263    HA   ALA  35           HA       ALA  35  -3.025  12.983  -5.436
  264   1HB   ALA  35          1HB       ALA  35  -5.271  12.001  -5.057
  265   2HB   ALA  35          2HB       ALA  35  -4.572  10.970  -3.809
  266   3HB   ALA  35          3HB       ALA  35  -4.048  10.804  -5.484
  267    H    PHE  36           H        PHE  36  -4.449  12.239  -2.255
  268    HA   PHE  36           HA       PHE  36  -5.533  14.835  -1.942
  269   1HB   PHE  36          2HB       PHE  36  -5.456  12.345  -0.401
  270   2HB   PHE  36          1HB       PHE  36  -5.488  13.790   0.604
  271    HD1  PHE  36           1HD      PHE  36  -7.160  15.615  -0.912
  272    HD2  PHE  36           2HD      PHE  36  -7.564  11.421  -0.309
  273    HE1  PHE  36           1HE      PHE  36  -9.588  15.802  -1.259
  274    HE2  PHE  36           2HE      PHE  36  -9.994  11.602  -0.655
  275    HZ   PHE  36           HZ       PHE  36 -11.008  13.794  -1.132
  276    H    ALA  37           H        ALA  37  -2.819  13.231  -0.249
  277    HA   ALA  37           HA       ALA  37  -2.040  15.280   1.406
  278   1HB   ALA  37          1HB       ALA  37  -1.084  12.856   0.998
  279   2HB   ALA  37          2HB       ALA  37  -0.105  14.113   1.754
  280   3HB   ALA  37          3HB       ALA  37   0.108  13.738   0.044
  281    H    HIS  38           H        HIS  38  -0.997  14.811  -2.000
  282    HA   HIS  38           HA       HIS  38   0.657  17.128  -1.986
  283   1HB   HIS  38          2HB       HIS  38   0.806  15.182  -3.616
  284   2HB   HIS  38          1HB       HIS  38  -0.582  15.885  -4.441
  285    HD1  HIS  38           1HD      HIS  38   0.178  17.094  -6.446
  286    HD2  HIS  38           2HD      HIS  38   2.856  17.513  -3.297
  287    HE1  HIS  38           1HE      HIS  38   2.004  18.593  -7.310
  288    HE2  HIS  38           2HE      HIS  38   3.566  18.903  -5.359
  289    H    LEU  39           H        LEU  39  -2.660  16.518  -3.102
  290    HA   LEU  39           HA       LEU  39  -3.083  19.150  -4.081
  291   1HB   LEU  39          2HB       LEU  39  -4.442  16.802  -4.264
  292   2HB   LEU  39          1HB       LEU  39  -5.434  17.667  -3.105
  293    HG   LEU  39           HG       LEU  39  -6.279  17.981  -5.361
  294   1HD1  LEU  39          1HD1      LEU  39  -5.001  20.566  -4.524
  295   2HD1  LEU  39          2HD1      LEU  39  -6.322  19.829  -3.618
  296   3HD1  LEU  39          3HD1      LEU  39  -6.566  20.311  -5.296
  297   1HD2  LEU  39          1HD2      LEU  39  -3.734  17.857  -6.204
  298   2HD2  LEU  39          2HD2      LEU  39  -3.969  19.604  -6.219
  299   3HD2  LEU  39          3HD2      LEU  39  -5.039  18.564  -7.157
  300    H    LEU  40           H        LEU  40  -2.956  17.845  -0.935
  301    HA   LEU  40           HA       LEU  40  -4.627  19.903   0.243
  302   1HB   LEU  40          2HB       LEU  40  -3.305  17.430   1.180
  303   2HB   LEU  40          1HB       LEU  40  -3.466  18.711   2.366
  304    HG   LEU  40           HG       LEU  40  -5.884  18.738   2.056
  305   1HD1  LEU  40          1HD1      LEU  40  -5.767  16.296   0.359
  306   2HD1  LEU  40          2HD1      LEU  40  -5.567  17.874  -0.400
  307   3HD1  LEU  40          3HD1      LEU  40  -7.036  17.512   0.504
  308   1HD2  LEU  40          1HD2      LEU  40  -4.442  16.268   2.825
  309   2HD2  LEU  40          2HD2      LEU  40  -6.194  16.161   2.649
  310   3HD2  LEU  40          3HD2      LEU  40  -5.489  17.317   3.780
  311    H    VAL  41           H        VAL  41  -1.247  19.256  -0.329
  312    HA   VAL  41           HA       VAL  41  -0.208  21.078   1.577
  313    HB   VAL  41           HB       VAL  41   1.145  19.285   0.492
  314   1HG1  VAL  41          1HG1      VAL  41   0.365  20.690  -1.890
  315   2HG1  VAL  41          2HG1      VAL  41   1.171  19.132  -1.723
  316   3HG1  VAL  41          3HG1      VAL  41   2.122  20.616  -1.771
  317   1HG2  VAL  41          1HG2      VAL  41   2.441  20.791   1.667
  318   2HG2  VAL  41          2HG2      VAL  41   2.043  22.133   0.594
  319   3HG2  VAL  41          3HG2      VAL  41   3.155  20.874   0.056
  320    H    TRP  42           H        TRP  42  -1.588  21.476  -1.568
  321    HA   TRP  42           HA       TRP  42  -0.467  23.973  -2.239
  322   1HB   TRP  42          2HB       TRP  42  -1.834  22.404  -3.732
  323   2HB   TRP  42          1HB       TRP  42  -3.261  23.096  -2.968
  324    HD1  TRP  42           HD       TRP  42  -0.308  25.369  -3.765
  325    HE1  TRP  42           1HE      TRP  42  -0.989  26.989  -5.646
  326    HE3  TRP  42           3HE      TRP  42  -4.818  23.310  -5.017
  327    HZ2  TRP  42           2HZ      TRP  42  -3.153  27.348  -7.424
  328    HZ3  TRP  42           3HZ      TRP  42  -6.130  24.353  -6.818
  329    HH2  TRP  42           HH       TRP  42  -5.314  26.330  -7.995
  330    H    ILE  43           H        ILE  43  -3.024  23.002  -0.094
  331    HA   ILE  43           HA       ILE  43  -3.312  25.791   0.777
  332    HB   ILE  43           HB       ILE  43  -5.743  25.412   1.141
  333   1HG1  ILE  43          2HG1      ILE  43  -6.510  23.476  -0.589
  334   2HG1  ILE  43          1HG1      ILE  43  -5.007  22.778   0.007
  335   1HG2  ILE  43          1HG2      ILE  43  -4.858  26.616  -0.829
  336   2HG2  ILE  43          2HG2      ILE  43  -6.395  25.811  -1.145
  337   3HG2  ILE  43          3HG2      ILE  43  -4.891  25.102  -1.734
  338   1HD1  ILE  43          1HD1      ILE  43  -6.936  23.839   1.993
  339   2HD1  ILE  43          2HD1      ILE  43  -5.823  22.477   2.108
  340   3HD1  ILE  43          3HD1      ILE  43  -7.315  22.321   1.182
  341    H    TRP  44           H        TRP  44  -1.774  23.589   1.872
  342    HA   TRP  44           HA       TRP  44  -2.548  23.813   4.592
  343   1HB   TRP  44          2HB       TRP  44  -3.993  21.880   3.349
  344   2HB   TRP  44          1HB       TRP  44  -2.598  20.945   3.879
  345    HD1  TRP  44           HD       TRP  44  -4.121  23.822   5.933
  346    HE1  TRP  44           1HE      TRP  44  -5.010  22.854   8.146
  347    HE3  TRP  44           3HE      TRP  44  -3.381  18.851   4.999
  348    HZ2  TRP  44           2HZ      TRP  44  -5.351  20.318   9.338
  349    HZ3  TRP  44           3HZ      TRP  44  -4.016  17.218   6.728
  350    HH2  TRP  44           HH       TRP  44  -4.980  17.939   8.853
  351    H    ARG  45           H        ARG  45  -1.281  21.572   5.663
  352    HA   ARG  45           HA       ARG  45   1.425  21.668   4.521
  353   1HB   ARG  45          2HB       ARG  45   0.772  21.983   7.455
  354   2HB   ARG  45          1HB       ARG  45   2.386  21.916   6.761
  355   1HG   ARG  45          2HG       ARG  45   2.350  24.070   6.180
  356   2HG   ARG  45          1HG       ARG  45   0.700  23.972   5.565
  357   1HD   ARG  45          2HD       ARG  45   0.095  25.170   7.343
  358   2HD   ARG  45          1HD       ARG  45   0.399  23.724   8.304
  359    HE   ARG  45           HE       ARG  45   2.286  24.716   9.142
  360   1HH1  ARG  45          1HH1      ARG  45   1.205  26.511   6.351
  361   2HH1  ARG  45          2HH1      ARG  45   2.319  27.813   6.602
  362   1HH2  ARG  45          1HH2      ARG  45   3.751  26.427   9.473
  363   2HH2  ARG  45          2HH2      ARG  45   3.765  27.766   8.374
  364    HA   PRO  46           HA       PRO  46   0.276  17.343   5.807
  365   1HB   PRO  46          2HB       PRO  46  -0.463  16.253   3.504
  366   2HB   PRO  46          1HB       PRO  46  -1.572  17.319   4.376
  367   1HG   PRO  46          2HG       PRO  46   0.121  17.892   1.983
  368   2HG   PRO  46          1HG       PRO  46  -1.532  18.423   2.340
  369   1HD   PRO  46          2HD       PRO  46   0.802  19.918   2.747
  370   2HD   PRO  46          1HD       PRO  46  -0.791  20.266   3.445
  371    H    TRP  47           H        TRP  47   0.992  15.244   4.242
  372    HA   TRP  47           HA       TRP  47   2.846  13.981   3.824
  373   1HB   TRP  47          2HB       TRP  47   2.403  14.836   1.614
  374   2HB   TRP  47          1HB       TRP  47   3.270  16.326   1.963
  375    HD1  TRP  47           HD       TRP  47   4.580  12.766   2.699
  376    HE1  TRP  47           1HE      TRP  47   6.753  12.420   1.364
  377    HE3  TRP  47           3HE      TRP  47   4.613  17.142   0.054
  378    HZ2  TRP  47           2HZ      TRP  47   8.281  13.818  -0.554
  379    HZ3  TRP  47           3HZ      TRP  47   6.467  17.561  -1.509
  380    HH2  TRP  47           HH       TRP  47   8.263  15.932  -1.806
  381    H    VAL  48           H        VAL  48   4.672  16.914   3.147
  382    HA   VAL  48           HA       VAL  48   6.823  16.119   4.796
  383    HB   VAL  48           HB       VAL  48   7.737  18.382   4.364
  384   1HG1  VAL  48          1HG1      VAL  48   8.401  17.802   2.285
  385   2HG1  VAL  48          2HG1      VAL  48   6.752  17.574   1.704
  386   3HG1  VAL  48          3HG1      VAL  48   7.535  16.312   2.656
  387   1HG2  VAL  48          1HG2      VAL  48   6.143  19.969   4.191
  388   2HG2  VAL  48          2HG2      VAL  48   4.952  18.853   3.525
  389   3HG2  VAL  48          3HG2      VAL  48   6.194  19.543   2.481
  390    HA   PRO  49           HA       PRO  49   4.909  17.639   8.599
  391   1HB   PRO  49          2HB       PRO  49   6.775  16.632  10.283
  392   2HB   PRO  49          1HB       PRO  49   5.503  15.637   9.564
  393   1HG   PRO  49          2HG       PRO  49   8.363  15.947   8.733
  394   2HG   PRO  49          1HG       PRO  49   7.388  14.471   8.857
  395   1HD   PRO  49          2HD       PRO  49   7.859  15.720   6.497
  396   2HD   PRO  49          1HD       PRO  49   6.359  14.830   6.827
  397    H    GLY  50           H        GLY  50   5.454  19.835   7.859
  398   1HA   GLY  50          2HA       GLY  50   6.783  21.378   9.638
  399   2HA   GLY  50          1HA       GLY  50   8.060  20.892   8.531
  400    HA   PRO  51           HA       PRO  51   5.390  24.522   6.880
  401   1HB   PRO  51          2HB       PRO  51   6.876  26.649   7.663
  402   2HB   PRO  51          1HB       PRO  51   5.561  25.991   8.643
  403   1HG   PRO  51          2HG       PRO  51   8.511  25.546   8.888
  404   2HG   PRO  51          1HG       PRO  51   7.316  25.847  10.163
  405   1HD   PRO  51          2HD       PRO  51   8.245  23.367   9.587
  406   2HD   PRO  51          1HD       PRO  51   6.598  23.658  10.180
  407    H    ASN  52           H        ASN  52   5.933  25.709   5.018
  408    HA   ASN  52           HA       ASN  52   8.701  25.476   4.070
  409   1HB   ASN  52          2HB       ASN  52   6.254  24.333   2.834
  410   2HB   ASN  52          1HB       ASN  52   7.415  25.086   1.745
  411   1HD2  ASN  52          1HD2      ASN  52   8.657  23.622   0.851
  412   2HD2  ASN  52          2HD2      ASN  52   9.333  22.238   1.634
  413    H    GLY  53           H        GLY  53   8.666  27.753   4.742
  414   1HA   GLY  53          2HA       GLY  53   7.238  29.481   2.823
  415   2HA   GLY  53          1HA       GLY  53   7.753  29.982   4.426
  416    H    TYR  54           H        TYR  54   8.652  31.802   3.140
  417    HA   TYR  54           HA       TYR  54  10.432  32.944   2.306
  418   1HB   TYR  54          2HB       TYR  54  12.090  30.529   3.047
  419   2HB   TYR  54          1HB       TYR  54  12.636  32.195   2.882
  420    HD1  TYR  54           1HD      TYR  54  10.569  33.653   4.390
  421    HD2  TYR  54           2HD      TYR  54  12.520  29.975   5.268
  422    HE1  TYR  54           1HE      TYR  54  10.174  34.023   6.790
  423    HE2  TYR  54           2HE      TYR  54  12.131  30.334   7.669
  424    HH   TYR  54           HH       TYR  54  11.706  32.190   9.208
  425    H    SER  55           H        SER  55   9.488  32.701   0.188
  426    HA   SER  55           HA       SER  55   9.574  32.250  -2.038
  427   1HB   SER  55          2HB       SER  55  11.688  32.115  -3.031
  428   2HB   SER  55          1HB       SER  55  12.032  32.901  -1.490
  429    HG   SER  55           HG       SER  55  12.792  30.430  -2.418
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  -6.179 -41.568  -9.550
    2    HA   ALA   1           HA       ALA   1  -8.165 -40.920  -7.628
    3   1HB   ALA   1          1HB       ALA   1  -7.019 -42.141  -5.970
    4   2HB   ALA   1          2HB       ALA   1  -6.620 -40.448  -5.676
    5   3HB   ALA   1          3HB       ALA   1  -5.453 -41.505  -6.471
    6    H    GLU   2           H        GLU   2  -8.549 -38.951  -8.398
    7    HA   GLU   2           HA       GLU   2  -6.550 -37.303  -9.572
    8   1HB   GLU   2          2HB       GLU   2  -9.154 -37.388  -9.939
    9   2HB   GLU   2          1HB       GLU   2  -9.171 -36.199  -8.644
   10   1HG   GLU   2          2HG       GLU   2  -7.599 -34.814  -9.977
   11   2HG   GLU   2          1HG       GLU   2  -7.770 -35.971 -11.295
   12    H    VAL   3           H        VAL   3  -5.069 -37.366  -7.694
   13    HA   VAL   3           HA       VAL   3  -5.767 -35.298  -5.710
   14    HB   VAL   3           HB       VAL   3  -3.733 -37.490  -5.307
   15   1HG1  VAL   3          1HG1      VAL   3  -4.420 -36.763  -2.851
   16   2HG1  VAL   3          2HG1      VAL   3  -4.792 -35.248  -3.676
   17   3HG1  VAL   3          3HG1      VAL   3  -3.164 -35.921  -3.758
   18   1HG2  VAL   3          1HG2      VAL   3  -5.809 -38.621  -5.499
   19   2HG2  VAL   3          2HG2      VAL   3  -6.643 -37.396  -4.542
   20   3HG2  VAL   3          3HG2      VAL   3  -5.476 -38.473  -3.773
   21    H    LYS   4           H        LYS   4  -4.978 -33.644  -7.096
   22    HA   LYS   4           HA       LYS   4  -2.373 -33.635  -8.192
   23   1HB   LYS   4          2HB       LYS   4  -4.416 -31.509  -7.634
   24   2HB   LYS   4          1HB       LYS   4  -2.803 -31.066  -8.177
   25   1HG   LYS   4          2HG       LYS   4  -3.455 -32.976  -9.988
   26   2HG   LYS   4          1HG       LYS   4  -5.035 -32.263  -9.655
   27   1HD   LYS   4          2HD       LYS   4  -4.325 -30.880 -11.335
   28   2HD   LYS   4          1HD       LYS   4  -3.688 -30.009  -9.939
   29   1HE   LYS   4          2HE       LYS   4  -2.060 -30.252 -11.802
   30   2HE   LYS   4          1HE       LYS   4  -1.506 -30.941 -10.276
   31   1HZ   LYS   4          1HZ       LYS   4  -2.914 -32.767 -12.037
   32   2HZ   LYS   4          2HZ       LYS   4  -1.520 -33.013 -11.112
   33   3HZ   LYS   4          3HZ       LYS   4  -1.415 -32.229 -12.607
   34    H    GLN   5           H        GLN   5  -3.673 -31.834  -5.401
   35    HA   GLN   5           HA       GLN   5  -1.469 -32.392  -3.728
   36   1HB   GLN   5          2HB       GLN   5  -1.328 -29.938  -5.397
   37   2HB   GLN   5          1HB       GLN   5  -0.870 -29.778  -3.707
   38   1HG   GLN   5          2HG       GLN   5   0.502 -32.008  -4.412
   39   2HG   GLN   5          1HG       GLN   5   0.515 -31.100  -5.924
   40   1HE2  GLN   5          1HE2      GLN   5   0.721 -30.189  -2.500
   41   2HE2  GLN   5          2HE2      GLN   5   2.181 -29.278  -2.652
   42    H    GLU   6           H        GLU   6  -2.732 -32.618  -1.971
   43    HA   GLU   6           HA       GLU   6  -5.084 -31.339  -1.355
   44   1HB   GLU   6          2HB       GLU   6  -3.561 -33.202  -0.108
   45   2HB   GLU   6          1HB       GLU   6  -3.295 -31.824   0.952
   46   1HG   GLU   6          2HG       GLU   6  -6.095 -32.257   0.232
   47   2HG   GLU   6          1HG       GLU   6  -5.363 -33.581   1.137
   48    H    SER   7           H        SER   7  -1.796 -30.352  -0.478
   49    HA   SER   7           HA       SER   7  -2.565 -27.984   0.885
   50   1HB   SER   7          2HB       SER   7  -0.354 -29.198   1.120
   51   2HB   SER   7          1HB       SER   7   0.101 -28.521  -0.444
   52    HG   SER   7           HG       SER   7  -0.770 -26.904   1.706
   53    H    LEU   8           H        LEU   8  -0.688 -26.177  -0.460
   54    HA   LEU   8           HA       LEU   8  -0.416 -24.852  -2.303
   55   1HB   LEU   8          2HB       LEU   8  -2.931 -26.043  -3.414
   56   2HB   LEU   8          1HB       LEU   8  -1.771 -25.033  -4.248
   57    HG   LEU   8           HG       LEU   8  -1.390 -27.884  -3.352
   58   1HD1  LEU   8          1HD1      LEU   8  -1.941 -26.521  -5.903
   59   2HD1  LEU   8          2HD1      LEU   8  -2.344 -28.154  -5.373
   60   3HD1  LEU   8          3HD1      LEU   8  -0.718 -27.792  -5.953
   61   1HD2  LEU   8          1HD2      LEU   8   0.871 -27.716  -4.285
   62   2HD2  LEU   8          2HD2      LEU   8   0.653 -26.646  -2.900
   63   3HD2  LEU   8          3HD2      LEU   8   0.634 -25.986  -4.535
   64    H    SER   9           H        SER   9  -3.264 -25.249  -0.435
   65    HA   SER   9           HA       SER   9  -4.745 -22.999  -1.161
   66   1HB   SER   9          2HB       SER   9  -5.391 -23.062   1.386
   67   2HB   SER   9          1HB       SER   9  -5.867 -24.393   0.331
   68    HG   SER   9           HG       SER   9  -4.165 -24.382   2.458
   69    H    GLY  10           H        GLY  10  -1.875 -23.345   0.798
   70   1HA   GLY  10          2HA       GLY  10  -1.910 -20.668   1.828
   71   2HA   GLY  10          1HA       GLY  10  -0.562 -21.795   1.895
   72    H    ILE  11           H        ILE  11  -0.872 -22.160  -1.116
   73    HA   ILE  11           HA       ILE  11   0.999 -20.103  -1.846
   74    HB   ILE  11           HB       ILE  11  -0.343 -22.096  -3.673
   75   1HG1  ILE  11          2HG1      ILE  11   2.288 -22.404  -2.214
   76   2HG1  ILE  11          1HG1      ILE  11   0.786 -23.173  -1.713
   77   1HG2  ILE  11          1HG2      ILE  11   1.890 -20.170  -3.935
   78   2HG2  ILE  11          2HG2      ILE  11   0.708 -20.709  -5.129
   79   3HG2  ILE  11          3HG2      ILE  11   2.080 -21.738  -4.720
   80   1HD1  ILE  11          1HD1      ILE  11   2.600 -23.822  -3.943
   81   2HD1  ILE  11          2HD1      ILE  11   0.873 -24.022  -4.238
   82   3HD1  ILE  11          3HD1      ILE  11   1.644 -24.881  -2.906
   83    H    THR  12           H        THR  12  -2.264 -21.023  -2.933
   84    HA   THR  12           HA       THR  12  -2.621 -18.832  -4.670
   85    HB   THR  12           HB       THR  12  -4.713 -20.467  -3.220
   86    HG1  THR  12           1HG      THR  12  -3.666 -20.803  -5.830
   87   1HG2  THR  12          1HG2      THR  12  -4.916 -18.369  -5.259
   88   2HG2  THR  12          2HG2      THR  12  -6.111 -18.960  -4.105
   89   3HG2  THR  12          3HG2      THR  12  -5.814 -19.848  -5.599
   90    H    GLU  13           H        GLU  13  -3.746 -19.386  -1.339
   91    HA   GLU  13           HA       GLU  13  -4.857 -16.775  -1.063
   92   1HB   GLU  13          2HB       GLU  13  -4.047 -18.691   1.129
   93   2HB   GLU  13          1HB       GLU  13  -5.176 -17.351   1.266
   94   1HG   GLU  13          2HG       GLU  13  -6.780 -18.447  -0.090
   95   2HG   GLU  13          1HG       GLU  13  -5.622 -19.688  -0.567
   96    H    GLY  14           H        GLY  14  -1.707 -18.153  -0.602
   97   1HA   GLY  14          2HA       GLY  14  -0.666 -16.134   1.121
   98   2HA   GLY  14          1HA       GLY  14   0.275 -17.277   0.174
   99    H    GLU  15           H        GLU  15  -0.033 -16.753  -2.336
  100    HA   GLU  15           HA       GLU  15   1.307 -14.314  -2.769
  101   1HB   GLU  15          2HB       GLU  15   1.079 -14.800  -5.142
  102   2HB   GLU  15          1HB       GLU  15   1.513 -16.263  -4.268
  103   1HG   GLU  15          2HG       GLU  15  -0.109 -17.060  -5.658
  104   2HG   GLU  15          1HG       GLU  15  -1.070 -16.654  -4.236
  105    H    ALA  16           H        ALA  16  -2.061 -15.286  -3.194
  106    HA   ALA  16           HA       ALA  16  -3.015 -12.957  -4.420
  107   1HB   ALA  16          1HB       ALA  16  -4.396 -14.935  -2.612
  108   2HB   ALA  16          2HB       ALA  16  -4.379 -14.921  -4.375
  109   3HB   ALA  16          3HB       ALA  16  -5.232 -13.655  -3.492
  110    H    LYS  17           H        LYS  17  -2.487 -13.772  -1.042
  111    HA   LYS  17           HA       LYS  17  -3.759 -11.483   0.055
  112   1HB   LYS  17          2HB       LYS  17  -3.334 -13.523   1.359
  113   2HB   LYS  17          1HB       LYS  17  -1.602 -13.248   1.228
  114   1HG   LYS  17          2HG       LYS  17  -2.306 -10.914   2.309
  115   2HG   LYS  17          1HG       LYS  17  -3.612 -11.920   2.940
  116   1HD   LYS  17          2HD       LYS  17  -2.241 -13.040   4.329
  117   2HD   LYS  17          1HD       LYS  17  -0.940 -13.117   3.141
  118   1HE   LYS  17          2HE       LYS  17  -1.504 -10.444   4.240
  119   2HE   LYS  17          1HE       LYS  17  -0.862 -11.616   5.390
  120   1HZ   LYS  17          1HZ       LYS  17   0.423 -11.216   2.763
  121   2HZ   LYS  17          2HZ       LYS  17   1.087 -11.851   4.183
  122   3HZ   LYS  17          3HZ       LYS  17   0.776 -10.193   4.064
  123    H    GLU  18           H        GLU  18  -0.339 -12.272  -0.548
  124    HA   GLU  18           HA       GLU  18   0.749  -9.861   0.353
  125   1HB   GLU  18          2HB       GLU  18   1.958 -12.026  -0.267
  126   2HB   GLU  18          1HB       GLU  18   1.879 -11.468  -1.933
  127   1HG   GLU  18          2HG       GLU  18   2.906  -9.291  -0.637
  128   2HG   GLU  18          1HG       GLU  18   3.626 -10.636   0.246
  129    H    PHE  19           H        PHE  19   0.104 -10.831  -3.016
  130    HA   PHE  19           HA       PHE  19   0.666  -8.384  -4.205
  131   1HB   PHE  19          2HB       PHE  19  -1.114 -10.667  -5.022
  132   2HB   PHE  19          1HB       PHE  19  -0.925  -9.238  -6.033
  133    HD1  PHE  19           1HD      PHE  19   1.808  -8.566  -6.015
  134    HD2  PHE  19           2HD      PHE  19   0.059 -12.442  -5.863
  135    HE1  PHE  19           1HE      PHE  19   3.855  -9.523  -6.987
  136    HE2  PHE  19           2HE      PHE  19   2.103 -13.407  -6.835
  137    HZ   PHE  19           HZ       PHE  19   4.005 -11.946  -7.398
  138    H    HIS  20           H        HIS  20  -2.153  -9.442  -2.471
  139    HA   HIS  20           HA       HIS  20  -3.916  -7.424  -3.463
  140   1HB   HIS  20          2HB       HIS  20  -3.998  -9.488  -1.328
  141   2HB   HIS  20          1HB       HIS  20  -5.078  -8.111  -1.145
  142    HD1  HIS  20           1HD      HIS  20  -7.171  -9.556  -1.550
  143    HD2  HIS  20           2HD      HIS  20  -4.475  -9.569  -4.712
  144    HE1  HIS  20           1HE      HIS  20  -8.405 -10.592  -3.480
  145    HE2  HIS  20           2HE      HIS  20  -6.726 -10.668  -5.357
  146    H    LYS  21           H        LYS  21  -2.362  -7.860  -0.281
  147    HA   LYS  21           HA       LYS  21  -3.055  -5.339   0.729
  148   1HB   LYS  21          2HB       LYS  21  -2.324  -7.200   2.148
  149   2HB   LYS  21          1HB       LYS  21  -0.708  -7.097   1.462
  150   1HG   LYS  21          2HG       LYS  21  -1.005  -4.570   2.331
  151   2HG   LYS  21          1HG       LYS  21  -2.015  -5.423   3.500
  152   1HD   LYS  21          2HD       LYS  21  -0.249  -6.418   4.486
  153   2HD   LYS  21          1HD       LYS  21   0.583  -6.685   2.952
  154   1HE   LYS  21          2HE       LYS  21   0.376  -3.884   3.867
  155   2HE   LYS  21          1HE       LYS  21   1.424  -4.940   4.813
  156   1HZ   LYS  21          1HZ       LYS  21   1.730  -3.988   2.076
  157   2HZ   LYS  21          2HZ       LYS  21   2.240  -5.570   2.388
  158   3HZ   LYS  21          3HZ       LYS  21   2.904  -4.280   3.258
  159    H    ILE  22           H        ILE  22  -0.111  -6.431  -0.925
  160    HA   ILE  22           HA       ILE  22   1.298  -4.010  -0.673
  161    HB   ILE  22           HB       ILE  22   2.857  -4.884  -2.214
  162   1HG1  ILE  22          2HG1      ILE  22   0.731  -6.826  -3.119
  163   2HG1  ILE  22          1HG1      ILE  22   1.334  -5.453  -4.039
  164   1HG2  ILE  22          1HG2      ILE  22   2.500  -7.528  -1.441
  165   2HG2  ILE  22          2HG2      ILE  22   1.763  -6.569  -0.159
  166   3HG2  ILE  22          3HG2      ILE  22   3.444  -6.292  -0.611
  167   1HD1  ILE  22          1HD1      ILE  22   2.597  -7.059  -4.988
  168   2HD1  ILE  22          2HD1      ILE  22   2.551  -8.095  -3.563
  169   3HD1  ILE  22          3HD1      ILE  22   3.643  -6.710  -3.612
  170    H    PHE  23           H        PHE  23  -0.826  -5.266  -3.224
  171    HA   PHE  23           HA       PHE  23  -0.406  -3.215  -5.091
  172   1HB   PHE  23          2HB       PHE  23  -1.531  -5.281  -5.718
  173   2HB   PHE  23          1HB       PHE  23  -2.850  -4.936  -4.605
  174    HD1  PHE  23           1HD      PHE  23  -4.770  -4.002  -5.451
  175    HD2  PHE  23           2HD      PHE  23  -1.100  -3.398  -7.517
  176    HE1  PHE  23           1HE      PHE  23  -5.978  -2.830  -7.245
  177    HE2  PHE  23           2HE      PHE  23  -2.300  -2.224  -9.316
  178    HZ   PHE  23           HZ       PHE  23  -4.743  -1.937  -9.181
  179    H    THR  24           H        THR  24  -3.188  -3.650  -2.911
  180    HA   THR  24           HA       THR  24  -4.285  -1.120  -3.281
  181    HB   THR  24           HB       THR  24  -5.202  -1.576  -0.878
  182    HG1  THR  24           1HG      THR  24  -4.397  -4.201  -1.496
  183   1HG2  THR  24          1HG2      THR  24  -6.741  -3.321  -1.759
  184   2HG2  THR  24          2HG2      THR  24  -5.778  -3.329  -3.237
  185   3HG2  THR  24          3HG2      THR  24  -6.623  -1.862  -2.742
  186    H    SER  25           H        SER  25  -1.826  -2.251  -1.022
  187    HA   SER  25           HA       SER  25  -1.622  -0.094   0.674
  188   1HB   SER  25          2HB       SER  25   0.333  -2.087  -0.378
  189   2HB   SER  25          1HB       SER  25   0.973  -0.685   0.479
  190    HG   SER  25           HG       SER  25   0.530  -1.834   2.184
  191    H    SER  26           H        SER  26   0.400  -0.542  -2.225
  192    HA   SER  26           HA       SER  26   1.439   2.038  -2.307
  193   1HB   SER  26          2HB       SER  26   2.249   1.513  -4.459
  194   2HB   SER  26          1HB       SER  26   2.158  -0.042  -3.632
  195    HG   SER  26           HG       SER  26   0.251  -0.480  -4.726
  196    H    ILE  27           H        ILE  27  -1.578   0.767  -3.609
  197    HA   ILE  27           HA       ILE  27  -2.230   2.967  -5.246
  198    HB   ILE  27           HB       ILE  27  -3.995   0.909  -3.925
  199   1HG1  ILE  27          2HG1      ILE  27  -2.335   0.175  -5.669
  200   2HG1  ILE  27          1HG1      ILE  27  -4.016  -0.164  -6.068
  201   1HG2  ILE  27          1HG2      ILE  27  -5.576   2.517  -4.299
  202   2HG2  ILE  27          2HG2      ILE  27  -5.562   1.736  -5.880
  203   3HG2  ILE  27          3HG2      ILE  27  -4.682   3.244  -5.635
  204   1HD1  ILE  27          1HD1      ILE  27  -3.266   2.404  -7.091
  205   2HD1  ILE  27          2HD1      ILE  27  -3.840   0.975  -7.952
  206   3HD1  ILE  27          3HD1      ILE  27  -2.119   1.174  -7.621
  207    H    LEU  28           H        LEU  28  -3.769   2.117  -2.130
  208    HA   LEU  28           HA       LEU  28  -5.064   4.558  -1.791
  209   1HB   LEU  28          2HB       LEU  28  -5.209   3.898   0.622
  210   2HB   LEU  28          1HB       LEU  28  -5.802   2.709  -0.522
  211    HG   LEU  28           HG       LEU  28  -3.120   2.035  -0.136
  212   1HD1  LEU  28          1HD1      LEU  28  -3.325   3.621   1.858
  213   2HD1  LEU  28          2HD1      LEU  28  -2.691   2.001   2.154
  214   3HD1  LEU  28          3HD1      LEU  28  -4.363   2.384   2.567
  215   1HD2  LEU  28          1HD2      LEU  28  -3.974   0.002   0.509
  216   2HD2  LEU  28          2HD2      LEU  28  -5.359   0.695  -0.335
  217   3HD2  LEU  28          3HD2      LEU  28  -5.295   0.725   1.428
  218    H    VAL  29           H        VAL  29  -1.862   3.547  -0.678
  219    HA   VAL  29           HA       VAL  29  -1.366   5.851   0.881
  220    HB   VAL  29           HB       VAL  29   0.923   5.146   0.968
  221   1HG1  VAL  29          1HG1      VAL  29   0.493   2.574   1.371
  222   2HG1  VAL  29          2HG1      VAL  29  -1.188   3.080   1.204
  223   3HG1  VAL  29          3HG1      VAL  29  -0.168   3.806   2.447
  224   1HG2  VAL  29          1HG2      VAL  29   1.646   4.611  -1.144
  225   2HG2  VAL  29          2HG2      VAL  29   0.233   3.616  -1.488
  226   3HG2  VAL  29          3HG2      VAL  29   1.498   3.007  -0.423
  227    H    PHE  30           H        PHE  30  -0.691   4.989  -2.478
  228    HA   PHE  30           HA       PHE  30   0.891   7.213  -3.146
  229   1HB   PHE  30          2HB       PHE  30   0.731   5.267  -4.609
  230   2HB   PHE  30          1HB       PHE  30  -0.982   5.573  -4.871
  231    HD1  PHE  30           1HD      PHE  30  -1.216   6.075  -7.115
  232    HD2  PHE  30           2HD      PHE  30   1.923   7.901  -4.896
  233    HE1  PHE  30           1HE      PHE  30  -0.664   7.479  -9.058
  234    HE2  PHE  30           2HE      PHE  30   2.480   9.308  -6.835
  235    HZ   PHE  30           HZ       PHE  30   1.186   9.099  -8.920
  236    H    PHE  31           H        PHE  31  -2.465   6.703  -4.196
  237    HA   PHE  31           HA       PHE  31  -2.992   9.400  -4.747
  238   1HB   PHE  31          2HB       PHE  31  -4.557   6.913  -4.508
  239   2HB   PHE  31          1HB       PHE  31  -5.465   8.389  -4.196
  240    HD1  PHE  31           1HD      PHE  31  -2.707   7.714  -6.604
  241    HD2  PHE  31           2HD      PHE  31  -6.802   8.731  -6.047
  242    HE1  PHE  31           1HE      PHE  31  -2.943   8.076  -9.026
  243    HE2  PHE  31           2HE      PHE  31  -7.046   9.093  -8.469
  244    HZ   PHE  31           HZ       PHE  31  -5.114   8.766  -9.962
  245    H    GLY  32           H        GLY  32  -3.206   7.500  -1.828
  246   1HA   GLY  32          2HA       GLY  32  -4.840   9.117  -0.255
  247   2HA   GLY  32          1HA       GLY  32  -3.551   8.092   0.359
  248    H    VAL  33           H        VAL  33  -1.284   9.164  -0.500
  249    HA   VAL  33           HA       VAL  33  -0.962  11.444   1.107
  250    HB   VAL  33           HB       VAL  33   0.625   9.499  -0.311
  251   1HG1  VAL  33          1HG1      VAL  33   1.389  11.043  -1.837
  252   2HG1  VAL  33          2HG1      VAL  33   2.618  11.045  -0.575
  253   3HG1  VAL  33          3HG1      VAL  33   1.430  12.346  -0.651
  254   1HG2  VAL  33          1HG2      VAL  33   2.299  10.380   1.452
  255   2HG2  VAL  33          2HG2      VAL  33   0.855   9.495   1.948
  256   3HG2  VAL  33          3HG2      VAL  33   0.892  11.255   2.060
  257    H    ALA  34           H        ALA  34  -0.446  10.956  -2.378
  258    HA   ALA  34           HA       ALA  34  -0.052  13.521  -3.204
  259   1HB   ALA  34          1HB       ALA  34  -0.125  11.356  -4.582
  260   2HB   ALA  34          2HB       ALA  34  -0.653  12.845  -5.365
  261   3HB   ALA  34          3HB       ALA  34  -1.846  11.691  -4.770
  262    H    ALA  35           H        ALA  35  -3.101  11.981  -2.368
  263    HA   ALA  35           HA       ALA  35  -4.818  14.049  -3.245
  264   1HB   ALA  35          1HB       ALA  35  -5.819  11.953  -2.866
  265   2HB   ALA  35          2HB       ALA  35  -6.435  12.999  -1.587
  266   3HB   ALA  35          3HB       ALA  35  -5.154  11.839  -1.236
  267    H    PHE  36           H        PHE  36  -4.406  13.167   0.177
  268    HA   PHE  36           HA       PHE  36  -5.129  15.684   1.159
  269   1HB   PHE  36          2HB       PHE  36  -3.917  13.234   2.272
  270   2HB   PHE  36          1HB       PHE  36  -3.580  14.708   3.173
  271    HD1  PHE  36           1HD      PHE  36  -6.434  12.882   1.623
  272    HD2  PHE  36           2HD      PHE  36  -5.075  15.389   4.780
  273    HE1  PHE  36           1HE      PHE  36  -8.646  12.729   2.690
  274    HE2  PHE  36           2HE      PHE  36  -7.284  15.242   5.854
  275    HZ   PHE  36           HZ       PHE  36  -9.073  13.911   4.809
  276    H    ALA  37           H        ALA  37  -1.905  14.254   0.829
  277    HA   ALA  37           HA       ALA  37  -0.289  16.234   1.759
  278   1HB   ALA  37          1HB       ALA  37   0.357  14.768  -0.786
  279   2HB   ALA  37          2HB       ALA  37   0.348  13.967   0.785
  280   3HB   ALA  37          3HB       ALA  37   1.459  15.302   0.482
  281    H    HIS  38           H        HIS  38  -1.204  15.944  -1.698
  282    HA   HIS  38           HA       HIS  38  -0.205  18.533  -2.326
  283   1HB   HIS  38          2HB       HIS  38  -2.190  16.914  -3.929
  284   2HB   HIS  38          1HB       HIS  38  -1.138  18.193  -4.521
  285    HD1  HIS  38           1HD      HIS  38   1.232  16.739  -2.618
  286    HD2  HIS  38           2HD      HIS  38  -0.852  15.284  -5.906
  287    HE1  HIS  38           1HE      HIS  38   2.669  14.907  -3.569
  288    HE2  HIS  38           2HE      HIS  38   1.349  13.986  -5.506
  289    H    LEU  39           H        LEU  39  -3.143  17.433  -0.948
  290    HA   LEU  39           HA       LEU  39  -4.858  19.502  -1.848
  291   1HB   LEU  39          2HB       LEU  39  -4.989  17.279  -0.015
  292   2HB   LEU  39          1HB       LEU  39  -5.726  18.698   0.701
  293    HG   LEU  39           HG       LEU  39  -7.242  18.907  -1.198
  294   1HD1  LEU  39          1HD1      LEU  39  -5.444  17.690  -2.707
  295   2HD1  LEU  39          2HD1      LEU  39  -7.164  17.653  -3.097
  296   3HD1  LEU  39          3HD1      LEU  39  -6.413  16.275  -2.292
  297   1HD2  LEU  39          1HD2      LEU  39  -8.612  16.972  -0.765
  298   2HD2  LEU  39          2HD2      LEU  39  -7.852  17.497   0.737
  299   3HD2  LEU  39          3HD2      LEU  39  -7.225  16.091  -0.122
  300    H    LEU  40           H        LEU  40  -2.456  19.290   0.656
  301    HA   LEU  40           HA       LEU  40  -3.267  21.932   1.666
  302   1HB   LEU  40          2HB       LEU  40  -1.205  20.866   3.287
  303   2HB   LEU  40          1HB       LEU  40  -2.882  21.146   3.705
  304    HG   LEU  40           HG       LEU  40  -1.955  18.605   2.378
  305   1HD1  LEU  40          1HD1      LEU  40  -2.013  19.355   5.280
  306   2HD1  LEU  40          2HD1      LEU  40  -0.724  18.580   4.359
  307   3HD1  LEU  40          3HD1      LEU  40  -2.190  17.682   4.753
  308   1HD2  LEU  40          1HD2      LEU  40  -4.037  17.715   3.104
  309   2HD2  LEU  40          2HD2      LEU  40  -4.382  19.259   2.323
  310   3HD2  LEU  40          3HD2      LEU  40  -4.378  19.142   4.083
  311    H    VAL  41           H        VAL  41  -0.290  20.079   0.984
  312    HA   VAL  41           HA       VAL  41   1.358  22.389   0.915
  313    HB   VAL  41           HB       VAL  41   3.118  20.959   0.106
  314   1HG1  VAL  41          1HG1      VAL  41   1.948  20.706   2.493
  315   2HG1  VAL  41          2HG1      VAL  41   3.355  19.759   2.012
  316   3HG1  VAL  41          3HG1      VAL  41   1.741  19.057   1.904
  317   1HG2  VAL  41          1HG2      VAL  41   2.746  19.274  -1.293
  318   2HG2  VAL  41          2HG2      VAL  41   1.011  19.540  -1.141
  319   3HG2  VAL  41          3HG2      VAL  41   1.829  18.420  -0.053
  320    H    TRP  42           H        TRP  42  -0.895  21.245  -1.314
  321    HA   TRP  42           HA       TRP  42  -1.326  21.680  -3.511
  322   1HB   TRP  42          2HB       TRP  42  -1.244  23.997  -2.429
  323   2HB   TRP  42          1HB       TRP  42   0.355  24.156  -3.147
  324    HD1  TRP  42           HD       TRP  42  -2.184  22.340  -5.263
  325    HE1  TRP  42           1HE      TRP  42  -2.903  23.850  -7.221
  326    HE3  TRP  42           3HE      TRP  42  -0.032  26.722  -3.743
  327    HZ2  TRP  42           2HZ      TRP  42  -2.597  26.541  -8.014
  328    HZ3  TRP  42           3HZ      TRP  42  -0.293  28.718  -5.159
  329    HH2  TRP  42           HH       TRP  42  -1.549  28.628  -7.250
  330    H    ILE  43           H        ILE  43   0.310  19.804  -3.741
  331    HA   ILE  43           HA       ILE  43   1.848  18.810  -5.093
  332    HB   ILE  43           HB       ILE  43   2.253  21.491  -6.412
  333   1HG1  ILE  43          2HG1      ILE  43   0.561  19.869  -7.983
  334   2HG1  ILE  43          1HG1      ILE  43  -0.091  19.810  -6.349
  335   1HG2  ILE  43          1HG2      ILE  43   3.896  20.202  -7.311
  336   2HG2  ILE  43          2HG2      ILE  43   2.571  19.725  -8.371
  337   3HG2  ILE  43          3HG2      ILE  43   3.031  18.695  -7.015
  338   1HD1  ILE  43          1HD1      ILE  43  -1.175  21.599  -7.386
  339   2HD1  ILE  43          2HD1      ILE  43   0.316  22.196  -8.113
  340   3HD1  ILE  43          3HD1      ILE  43   0.060  22.346  -6.375
  341    H    TRP  44           H        TRP  44   2.527  20.768  -2.702
  342    HA   TRP  44           HA       TRP  44   4.403  20.905  -1.397
  343   1HB   TRP  44          2HB       TRP  44   5.220  18.997  -3.182
  344   2HB   TRP  44          1HB       TRP  44   6.405  20.270  -3.452
  345    HD1  TRP  44           HD       TRP  44   4.920  19.505   0.011
  346    HE1  TRP  44           1HE      TRP  44   6.821  18.703   1.550
  347    HE3  TRP  44           3HE      TRP  44   8.690  19.227  -3.431
  348    HZ2  TRP  44           2HZ      TRP  44   9.556  18.038   1.333
  349    HZ3  TRP  44           3HZ      TRP  44  10.918  18.499  -2.685
  350    HH2  TRP  44           HH       TRP  44  11.341  17.918  -0.351
  351    H    ARG  45           H        ARG  45   5.659  21.690  -4.640
  352    HA   ARG  45           HA       ARG  45   7.059  23.954  -3.870
  353   1HB   ARG  45          2HB       ARG  45   6.217  22.743  -6.386
  354   2HB   ARG  45          1HB       ARG  45   6.339  24.494  -6.484
  355   1HG   ARG  45          2HG       ARG  45   8.649  24.166  -5.381
  356   2HG   ARG  45          1HG       ARG  45   8.472  22.486  -5.890
  357   1HD   ARG  45          2HD       ARG  45   7.908  23.503  -8.204
  358   2HD   ARG  45          1HD       ARG  45   8.669  24.960  -7.565
  359    HE   ARG  45           HE       ARG  45  10.276  22.603  -7.250
  360   1HH1  ARG  45          1HH1      ARG  45   9.399  25.184  -9.429
  361   2HH1  ARG  45          2HH1      ARG  45  10.869  25.084 -10.339
  362   1HH2  ARG  45          1HH2      ARG  45  12.209  22.470  -8.445
  363   2HH2  ARG  45          2HH2      ARG  45  12.465  23.543  -9.781
  364    HA   PRO  46           HA       PRO  46   3.309  26.716  -5.547
  365   1HB   PRO  46          2HB       PRO  46   1.195  24.709  -4.905
  366   2HB   PRO  46          1HB       PRO  46   1.236  25.933  -6.179
  367   1HG   PRO  46          2HG       PRO  46   1.707  23.366  -6.730
  368   2HG   PRO  46          1HG       PRO  46   2.598  24.661  -7.547
  369   1HD   PRO  46          2HD       PRO  46   3.502  22.787  -5.426
  370   2HD   PRO  46          1HD       PRO  46   4.427  23.560  -6.727
  371    H    TRP  47           H        TRP  47   2.687  24.331  -2.971
  372    HA   TRP  47           HA       TRP  47   2.258  24.571  -0.749
  373   1HB   TRP  47          2HB       TRP  47   4.280  26.008  -0.809
  374   2HB   TRP  47          1HB       TRP  47   3.252  27.402  -1.129
  375    HD1  TRP  47           HD       TRP  47   3.058  28.796   0.996
  376    HE1  TRP  47           1HE      TRP  47   2.763  28.314   3.508
  377    HE3  TRP  47           3HE      TRP  47   3.169  23.686   0.863
  378    HZ2  TRP  47           2HZ      TRP  47   2.599  26.067   5.207
  379    HZ3  TRP  47           3HZ      TRP  47   2.937  22.446   2.976
  380    HH2  TRP  47           HH       TRP  47   2.658  23.613   5.103
  381    H    VAL  48           H        VAL  48   0.273  24.601   0.007
  382    HA   VAL  48           HA       VAL  48  -1.940  25.068   0.233
  383    HB   VAL  48           HB       VAL  48  -2.440  27.418   0.959
  384   1HG1  VAL  48          1HG1      VAL  48  -0.396  25.651   2.201
  385   2HG1  VAL  48          2HG1      VAL  48  -2.024  26.056   2.746
  386   3HG1  VAL  48          3HG1      VAL  48  -0.713  27.223   2.934
  387   1HG2  VAL  48          1HG2      VAL  48  -0.624  28.965   1.303
  388   2HG2  VAL  48          2HG2      VAL  48  -0.686  28.520  -0.401
  389   3HG2  VAL  48          3HG2      VAL  48   0.535  27.809   0.652
  390    HA   PRO  49           HA       PRO  49  -3.261  26.060  -3.941
  391   1HB   PRO  49          2HB       PRO  49  -5.936  25.601  -3.444
  392   2HB   PRO  49          1HB       PRO  49  -4.768  24.356  -3.896
  393   1HG   PRO  49          2HG       PRO  49  -5.812  25.086  -1.196
  394   2HG   PRO  49          1HG       PRO  49  -5.467  23.485  -1.870
  395   1HD   PRO  49          2HD       PRO  49  -3.798  24.686  -0.139
  396   2HD   PRO  49          1HD       PRO  49  -3.196  23.663  -1.461
  397    H    GLY  50           H        GLY  50  -5.993  26.927  -1.861
  398   1HA   GLY  50          2HA       GLY  50  -6.301  29.233  -1.085
  399   2HA   GLY  50          1HA       GLY  50  -5.520  29.756  -2.569
  400    HA   PRO  51           HA       PRO  51  -9.192  29.913  -5.015
  401   1HB   PRO  51          2HB       PRO  51  -8.715  27.243  -6.257
  402   2HB   PRO  51          1HB       PRO  51  -9.036  28.801  -7.027
  403   1HG   PRO  51          2HG       PRO  51  -6.579  27.788  -7.011
  404   2HG   PRO  51          1HG       PRO  51  -6.844  29.526  -6.778
  405   1HD   PRO  51          2HD       PRO  51  -6.157  27.425  -4.771
  406   2HD   PRO  51          1HD       PRO  51  -5.636  29.121  -4.855
  407    H    ASN  52           H        ASN  52  -8.632  26.935  -3.287
  408    HA   ASN  52           HA       ASN  52 -11.042  25.626  -3.492
  409   1HB   ASN  52          2HB       ASN  52  -8.962  25.827  -1.376
  410   2HB   ASN  52          1HB       ASN  52 -10.510  25.124  -0.916
  411   1HD2  ASN  52          1HD2      ASN  52  -8.473  23.502  -0.689
  412   2HD2  ASN  52          2HD2      ASN  52  -8.414  22.342  -1.967
  413    H    GLY  53           H        GLY  53 -10.325  28.580  -1.792
  414   1HA   GLY  53          2HA       GLY  53 -12.901  28.546  -0.413
  415   2HA   GLY  53          1HA       GLY  53 -11.629  29.741  -0.210
  416    H    TYR  54           H        TYR  54 -12.250  31.680  -0.862
  417    HA   TYR  54           HA       TYR  54 -13.236  33.359  -2.040
  418   1HB   TYR  54          2HB       TYR  54 -12.720  31.312  -4.176
  419   2HB   TYR  54          1HB       TYR  54 -13.569  32.803  -4.564
  420    HD1  TYR  54           1HD      TYR  54 -10.592  31.983  -2.449
  421    HD2  TYR  54           2HD      TYR  54 -12.187  34.294  -5.646
  422    HE1  TYR  54           1HE      TYR  54  -8.436  33.142  -2.679
  423    HE2  TYR  54           2HE      TYR  54 -10.035  35.460  -5.885
  424    HH   TYR  54           HH       TYR  54  -7.379  34.596  -5.113
  425    H    SER  55           H        SER  55 -14.941  31.591  -0.591
  426    HA   SER  55           HA       SER  55 -17.149  31.147  -0.283
  427   1HB   SER  55          2HB       SER  55 -17.656  33.419  -0.660
  428   2HB   SER  55          1HB       SER  55 -17.294  33.302  -2.382
  429    HG   SER  55           HG       SER  55 -19.361  33.002  -2.581
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1  -8.345 -24.580  -9.727
    2    HA   ALA   1           HA       ALA   1  -9.344 -26.986  -8.604
    3   1HB   ALA   1          1HB       ALA   1  -7.328 -27.235  -6.939
    4   2HB   ALA   1          2HB       ALA   1  -6.413 -26.571  -8.292
    5   3HB   ALA   1          3HB       ALA   1  -7.328 -28.065  -8.494
    6    H    GLU   2           H        GLU   2 -10.182 -26.662  -6.556
    7    HA   GLU   2           HA       GLU   2  -9.929 -23.912  -5.537
    8   1HB   GLU   2          2HB       GLU   2 -12.176 -25.842  -4.960
    9   2HB   GLU   2          1HB       GLU   2 -12.141 -24.111  -4.653
   10   1HG   GLU   2          2HG       GLU   2 -11.913 -25.189  -7.434
   11   2HG   GLU   2          1HG       GLU   2 -13.482 -24.982  -6.658
   12    H    VAL   3           H        VAL   3 -10.013 -27.313  -4.599
   13    HA   VAL   3           HA       VAL   3  -8.184 -27.009  -2.502
   14    HB   VAL   3           HB       VAL   3 -10.008 -25.813  -1.373
   15   1HG1  VAL   3          1HG1      VAL   3 -12.087 -26.814  -0.835
   16   2HG1  VAL   3          2HG1      VAL   3 -11.555 -28.394  -1.409
   17   3HG1  VAL   3          3HG1      VAL   3 -11.833 -27.086  -2.559
   18   1HG2  VAL   3          1HG2      VAL   3  -9.715 -26.809   0.693
   19   2HG2  VAL   3          2HG2      VAL   3  -8.351 -27.453  -0.222
   20   3HG2  VAL   3          3HG2      VAL   3  -9.788 -28.443   0.032
   21    H    LYS   4           H        LYS   4 -11.055 -28.806  -3.537
   22    HA   LYS   4           HA       LYS   4 -11.561 -31.061  -3.331
   23   1HB   LYS   4          2HB       LYS   4  -9.134 -30.720  -5.043
   24   2HB   LYS   4          1HB       LYS   4  -9.753 -32.339  -4.745
   25   1HG   LYS   4          2HG       LYS   4 -11.978 -31.541  -5.574
   26   2HG   LYS   4          1HG       LYS   4 -11.181 -30.043  -6.060
   27   1HD   LYS   4          2HD       LYS   4 -10.297 -32.775  -6.977
   28   2HD   LYS   4          1HD       LYS   4 -11.430 -31.763  -7.877
   29   1HE   LYS   4          2HE       LYS   4  -9.795 -30.082  -8.221
   30   2HE   LYS   4          1HE       LYS   4  -8.696 -30.816  -7.053
   31   1HZ   LYS   4          1HZ       LYS   4  -8.219 -32.570  -8.508
   32   2HZ   LYS   4          2HZ       LYS   4  -8.191 -31.190  -9.487
   33   3HZ   LYS   4          3HZ       LYS   4  -9.531 -32.222  -9.519
   34    H    GLN   5           H        GLN   5 -10.330 -30.306  -0.936
   35    HA   GLN   5           HA       GLN   5  -9.502 -32.818   0.061
   36   1HB   GLN   5          2HB       GLN   5  -7.416 -31.026  -0.917
   37   2HB   GLN   5          1HB       GLN   5  -7.191 -31.455   0.773
   38   1HG   GLN   5          2HG       GLN   5  -7.720 -33.881  -0.244
   39   2HG   GLN   5          1HG       GLN   5  -6.984 -33.115  -1.650
   40   1HE2  GLN   5          1HE2      GLN   5  -6.380 -32.955   1.844
   41   2HE2  GLN   5          2HE2      GLN   5  -4.700 -33.344   1.744
   42    H    GLU   6           H        GLU   6  -8.244 -29.653   0.985
   43    HA   GLU   6           HA       GLU   6 -10.166 -28.855   2.806
   44   1HB   GLU   6          2HB       GLU   6  -8.623 -29.489   4.901
   45   2HB   GLU   6          1HB       GLU   6  -9.942 -30.514   4.358
   46   1HG   GLU   6          2HG       GLU   6  -8.568 -32.168   3.756
   47   2HG   GLU   6          1HG       GLU   6  -7.398 -31.067   3.032
   48    H    SER   7           H        SER   7  -6.675 -29.254   3.350
   49    HA   SER   7           HA       SER   7  -6.279 -26.495   3.888
   50   1HB   SER   7          2HB       SER   7  -3.944 -28.101   3.016
   51   2HB   SER   7          1HB       SER   7  -4.152 -27.102   4.455
   52    HG   SER   7           HG       SER   7  -5.598 -28.853   5.187
   53    H    LEU   8           H        LEU   8  -3.874 -26.054   2.350
   54    HA   LEU   8           HA       LEU   8  -3.084 -25.451   0.313
   55   1HB   LEU   8          2HB       LEU   8  -5.637 -26.271  -0.972
   56   2HB   LEU   8          1HB       LEU   8  -4.029 -26.181  -1.662
   57    HG   LEU   8           HG       LEU   8  -4.116 -28.106   0.495
   58   1HD1  LEU   8          1HD1      LEU   8  -6.184 -28.905   0.157
   59   2HD1  LEU   8          2HD1      LEU   8  -5.471 -29.656  -1.270
   60   3HD1  LEU   8          3HD1      LEU   8  -6.339 -28.128  -1.418
   61   1HD2  LEU   8          1HD2      LEU   8  -3.286 -29.582  -1.372
   62   2HD2  LEU   8          2HD2      LEU   8  -2.328 -28.135  -1.055
   63   3HD2  LEU   8          3HD2      LEU   8  -3.430 -28.180  -2.432
   64    H    SER   9           H        SER   9  -6.537 -24.788   0.856
   65    HA   SER   9           HA       SER   9  -6.781 -22.504  -0.697
   66   1HB   SER   9          2HB       SER   9  -8.121 -22.486   1.963
   67   2HB   SER   9          1HB       SER   9  -8.792 -22.172   0.363
   68    HG   SER   9           HG       SER   9  -9.485 -24.177   1.338
   69    H    GLY  10           H        GLY  10  -5.208 -22.996   2.359
   70   1HA   GLY  10          2HA       GLY  10  -4.923 -20.194   2.966
   71   2HA   GLY  10          1HA       GLY  10  -4.148 -21.532   3.803
   72    H    ILE  11           H        ILE  11  -3.236 -22.525   1.046
   73    HA   ILE  11           HA       ILE  11  -0.713 -21.118   1.093
   74    HB   ILE  11           HB       ILE  11  -1.601 -23.226  -0.876
   75   1HG1  ILE  11          2HG1      ILE  11  -0.142 -23.630   1.744
   76   2HG1  ILE  11          1HG1      ILE  11  -1.849 -23.979   1.492
   77   1HG2  ILE  11          1HG2      ILE  11   0.877 -23.665  -0.943
   78   2HG2  ILE  11          2HG2      ILE  11   1.087 -22.171  -0.027
   79   3HG2  ILE  11          3HG2      ILE  11   0.359 -22.126  -1.633
   80   1HD1  ILE  11          1HD1      ILE  11   0.544 -25.380   0.381
   81   2HD1  ILE  11          2HD1      ILE  11  -1.032 -25.514  -0.399
   82   3HD1  ILE  11          3HD1      ILE  11  -0.828 -26.042   1.271
   83    H    THR  12           H        THR  12  -3.136 -21.780  -1.441
   84    HA   THR  12           HA       THR  12  -2.066 -19.968  -3.313
   85    HB   THR  12           HB       THR  12  -4.907 -20.978  -3.067
   86    HG1  THR  12           1HG      THR  12  -2.715 -22.000  -4.546
   87   1HG2  THR  12          1HG2      THR  12  -3.728 -20.404  -5.702
   88   2HG2  THR  12          2HG2      THR  12  -4.172 -19.009  -4.718
   89   3HG2  THR  12          3HG2      THR  12  -5.386 -20.221  -5.128
   90    H    GLU  13           H        GLU  13  -4.755 -19.656  -1.008
   91    HA   GLU  13           HA       GLU  13  -5.306 -16.943  -1.699
   92   1HB   GLU  13          2HB       GLU  13  -6.873 -18.657  -0.584
   93   2HB   GLU  13          1HB       GLU  13  -6.055 -18.236   0.913
   94   1HG   GLU  13          2HG       GLU  13  -6.996 -15.942  -0.645
   95   2HG   GLU  13          1HG       GLU  13  -8.270 -17.006  -0.050
   96    H    GLY  14           H        GLY  14  -3.194 -18.534   0.572
   97   1HA   GLY  14          2HA       GLY  14  -2.700 -16.347   2.292
   98   2HA   GLY  14          1HA       GLY  14  -1.638 -17.727   2.057
   99    H    GLU  15           H        GLU  15  -0.576 -17.645  -0.263
  100    HA   GLU  15           HA       GLU  15   1.167 -15.434  -0.261
  101   1HB   GLU  15          2HB       GLU  15   0.623 -17.343  -2.544
  102   2HB   GLU  15          1HB       GLU  15   2.052 -16.341  -2.338
  103   1HG   GLU  15          2HG       GLU  15   2.842 -17.629  -0.556
  104   2HG   GLU  15          1HG       GLU  15   1.275 -18.398  -0.305
  105    H    ALA  16           H        ALA  16  -1.650 -16.238  -2.236
  106    HA   ALA  16           HA       ALA  16  -1.514 -14.099  -4.038
  107   1HB   ALA  16          1HB       ALA  16  -3.869 -14.533  -4.468
  108   2HB   ALA  16          2HB       ALA  16  -3.980 -15.490  -2.991
  109   3HB   ALA  16          3HB       ALA  16  -2.980 -16.049  -4.332
  110    H    LYS  17           H        LYS  17  -3.003 -14.376  -0.848
  111    HA   LYS  17           HA       LYS  17  -4.288 -11.871  -0.824
  112   1HB   LYS  17          2HB       LYS  17  -4.862 -13.622   0.767
  113   2HB   LYS  17          1HB       LYS  17  -3.249 -13.555   1.462
  114   1HG   LYS  17          2HG       LYS  17  -3.640 -11.433   2.414
  115   2HG   LYS  17          1HG       LYS  17  -5.107 -11.197   1.463
  116   1HD   LYS  17          2HD       LYS  17  -6.365 -12.540   2.814
  117   2HD   LYS  17          1HD       LYS  17  -4.994 -13.558   3.260
  118   1HE   LYS  17          2HE       LYS  17  -4.430 -12.256   5.013
  119   2HE   LYS  17          1HE       LYS  17  -4.843 -10.764   4.170
  120   1HZ   LYS  17          1HZ       LYS  17  -7.233 -11.442   4.516
  121   2HZ   LYS  17          2HZ       LYS  17  -6.387 -10.972   5.903
  122   3HZ   LYS  17          3HZ       LYS  17  -6.661 -12.613   5.597
  123    H    GLU  18           H        GLU  18  -1.117 -12.892   0.422
  124    HA   GLU  18           HA       GLU  18  -0.336 -10.414   1.469
  125   1HB   GLU  18          2HB       GLU  18   0.823 -12.522   1.976
  126   2HB   GLU  18          1HB       GLU  18   1.399 -12.607   0.316
  127   1HG   GLU  18          2HG       GLU  18   2.053 -10.114   1.707
  128   2HG   GLU  18          1HG       GLU  18   2.789 -11.561   2.395
  129    H    PHE  19           H        PHE  19   0.098 -11.813  -1.754
  130    HA   PHE  19           HA       PHE  19   1.719  -9.804  -2.839
  131   1HB   PHE  19          2HB       PHE  19   1.317 -11.991  -3.922
  132   2HB   PHE  19          1HB       PHE  19  -0.340 -11.503  -4.265
  133    HD1  PHE  19           1HD      PHE  19   3.190 -10.535  -4.901
  134    HD2  PHE  19           2HD      PHE  19  -0.846 -10.405  -6.242
  135    HE1  PHE  19           1HE      PHE  19   3.931  -9.530  -7.021
  136    HE2  PHE  19           2HE      PHE  19  -0.112  -9.400  -8.365
  137    HZ   PHE  19           HZ       PHE  19   2.279  -8.961  -8.756
  138    H    HIS  20           H        HIS  20  -1.812 -10.224  -3.173
  139    HA   HIS  20           HA       HIS  20  -2.271  -7.761  -4.442
  140   1HB   HIS  20          2HB       HIS  20  -4.082  -9.525  -2.789
  141   2HB   HIS  20          1HB       HIS  20  -4.649  -8.084  -3.626
  142    HD1  HIS  20           1HD      HIS  20  -2.399  -9.126  -5.983
  143    HD2  HIS  20           2HD      HIS  20  -5.961 -10.796  -4.647
  144    HE1  HIS  20           1HE      HIS  20  -3.167 -10.642  -7.836
  145    HE2  HIS  20           2HE      HIS  20  -5.364 -11.583  -7.037
  146    H    LYS  21           H        LYS  21  -1.980  -8.659  -1.079
  147    HA   LYS  21           HA       LYS  21  -3.087  -6.406   0.139
  148   1HB   LYS  21          2HB       LYS  21  -1.393  -8.626   0.921
  149   2HB   LYS  21          1HB       LYS  21  -0.910  -7.147   1.736
  150   1HG   LYS  21          2HG       LYS  21  -2.536  -8.462   3.024
  151   2HG   LYS  21          1HG       LYS  21  -3.129  -6.850   2.621
  152   1HD   LYS  21          2HD       LYS  21  -3.956  -8.427   0.493
  153   2HD   LYS  21          1HD       LYS  21  -4.193  -9.455   1.907
  154   1HE   LYS  21          2HE       LYS  21  -5.189  -7.119   2.825
  155   2HE   LYS  21          1HE       LYS  21  -5.570  -6.975   1.109
  156   1HZ   LYS  21          1HZ       LYS  21  -6.648  -8.794   3.103
  157   2HZ   LYS  21          2HZ       LYS  21  -6.372  -9.461   1.572
  158   3HZ   LYS  21          3HZ       LYS  21  -7.387  -8.118   1.738
  159    H    ILE  22           H        ILE  22   0.426  -6.992  -0.081
  160    HA   ILE  22           HA       ILE  22   1.203  -4.385   0.404
  161    HB   ILE  22           HB       ILE  22   2.617  -6.540   0.275
  162   1HG1  ILE  22          2HG1      ILE  22   4.665  -5.207  -0.077
  163   2HG1  ILE  22          1HG1      ILE  22   3.683  -3.903  -0.742
  164   1HG2  ILE  22          1HG2      ILE  22   3.782  -7.005  -1.730
  165   2HG2  ILE  22          2HG2      ILE  22   3.156  -5.553  -2.513
  166   3HG2  ILE  22          3HG2      ILE  22   2.073  -6.901  -2.160
  167   1HD1  ILE  22          1HD1      ILE  22   4.410  -4.274   1.908
  168   2HD1  ILE  22          2HD1      ILE  22   2.704  -4.721   1.838
  169   3HD1  ILE  22          3HD1      ILE  22   3.223  -3.130   1.278
  170    H    PHE  23           H        PHE  23   0.118  -5.859  -2.567
  171    HA   PHE  23           HA       PHE  23   1.086  -3.982  -4.405
  172   1HB   PHE  23          2HB       PHE  23  -0.799  -6.171  -4.405
  173   2HB   PHE  23          1HB       PHE  23  -1.429  -4.825  -5.348
  174    HD1  PHE  23           1HD      PHE  23   1.974  -6.284  -4.872
  175    HD2  PHE  23           2HD      PHE  23  -1.105  -5.164  -7.586
  176    HE1  PHE  23           1HE      PHE  23   3.405  -6.944  -6.760
  177    HE2  PHE  23           2HE      PHE  23   0.320  -5.823  -9.480
  178    HZ   PHE  23           HZ       PHE  23   2.579  -6.714  -9.069
  179    H    THR  24           H        THR  24  -2.371  -4.203  -3.636
  180    HA   THR  24           HA       THR  24  -2.953  -1.565  -4.297
  181    HB   THR  24           HB       THR  24  -5.049  -1.936  -3.004
  182    HG1  THR  24           1HG      THR  24  -3.932  -4.470  -2.421
  183   1HG2  THR  24          1HG2      THR  24  -5.945  -3.193  -4.611
  184   2HG2  THR  24          2HG2      THR  24  -4.787  -4.502  -4.371
  185   3HG2  THR  24          3HG2      THR  24  -4.341  -3.095  -5.336
  186    H    SER  25           H        SER  25  -1.768  -2.967  -1.335
  187    HA   SER  25           HA       SER  25  -2.376  -0.964   0.486
  188   1HB   SER  25          2HB       SER  25  -0.096  -2.912   0.279
  189   2HB   SER  25          1HB       SER  25  -0.128  -1.709   1.568
  190    HG   SER  25           HG       SER  25  -2.020  -3.749   1.036
  191    H    SER  26           H        SER  26   0.932  -1.345  -0.725
  192    HA   SER  26           HA       SER  26   1.732   1.264  -0.237
  193   1HB   SER  26          2HB       SER  26   3.589   0.028  -0.632
  194   2HB   SER  26          1HB       SER  26   2.768  -1.019  -1.789
  195    HG   SER  26           HG       SER  26   3.050   0.553  -3.364
  196    H    ILE  27           H        ILE  27   0.254  -0.087  -3.158
  197    HA   ILE  27           HA       ILE  27   0.687   2.153  -4.815
  198    HB   ILE  27           HB       ILE  27  -1.459   0.035  -4.956
  199   1HG1  ILE  27          2HG1      ILE  27   0.944  -0.695  -5.133
  200   2HG1  ILE  27          1HG1      ILE  27  -0.036  -1.055  -6.551
  201   1HG2  ILE  27          1HG2      ILE  27  -1.242   0.864  -7.489
  202   2HG2  ILE  27          2HG2      ILE  27  -0.895   2.383  -6.663
  203   3HG2  ILE  27          3HG2      ILE  27  -2.413   1.539  -6.356
  204   1HD1  ILE  27          1HD1      ILE  27   1.972   1.159  -6.238
  205   2HD1  ILE  27          2HD1      ILE  27   0.894   0.984  -7.624
  206   3HD1  ILE  27          3HD1      ILE  27   2.090  -0.264  -7.275
  207    H    LEU  28           H        LEU  28  -2.441   1.125  -3.436
  208    HA   LEU  28           HA       LEU  28  -3.785   3.493  -3.967
  209   1HB   LEU  28          2HB       LEU  28  -4.353   1.613  -1.685
  210   2HB   LEU  28          1HB       LEU  28  -5.487   2.706  -2.456
  211    HG   LEU  28           HG       LEU  28  -4.236   0.249  -3.678
  212   1HD1  LEU  28          1HD1      LEU  28  -6.073  -0.146  -2.094
  213   2HD1  LEU  28          2HD1      LEU  28  -6.496  -0.592  -3.748
  214   3HD1  LEU  28          3HD1      LEU  28  -7.105   0.911  -3.056
  215   1HD2  LEU  28          1HD2      LEU  28  -4.362   1.574  -5.533
  216   2HD2  LEU  28          2HD2      LEU  28  -5.688   2.542  -4.887
  217   3HD2  LEU  28          3HD2      LEU  28  -6.001   0.922  -5.508
  218    H    VAL  29           H        VAL  29  -1.959   2.585  -1.068
  219    HA   VAL  29           HA       VAL  29  -2.725   4.850   0.444
  220    HB   VAL  29           HB       VAL  29  -0.965   4.280   1.969
  221   1HG1  VAL  29          1HG1      VAL  29  -2.692   2.164   0.874
  222   2HG1  VAL  29          2HG1      VAL  29  -2.578   2.806   2.513
  223   3HG1  VAL  29          3HG1      VAL  29  -1.392   1.632   1.941
  224   1HG2  VAL  29          1HG2      VAL  29   0.166   2.831  -0.362
  225   2HG2  VAL  29          2HG2      VAL  29   0.474   2.193   1.251
  226   3HG2  VAL  29          3HG2      VAL  29   0.971   3.834   0.842
  227    H    PHE  30           H        PHE  30  -0.053   4.166  -1.750
  228    HA   PHE  30           HA       PHE  30   1.475   6.471  -1.264
  229   1HB   PHE  30          2HB       PHE  30   2.373   4.597  -2.534
  230   2HB   PHE  30          1HB       PHE  30   1.166   4.833  -3.793
  231    HD1  PHE  30           1HD      PHE  30   1.328   6.728  -5.327
  232    HD2  PHE  30           2HD      PHE  30   4.318   5.983  -2.392
  233    HE1  PHE  30           1HE      PHE  30   2.865   8.237  -6.516
  234    HE2  PHE  30           2HE      PHE  30   5.860   7.492  -3.575
  235    HZ   PHE  30           HZ       PHE  30   5.134   8.622  -5.640
  236    H    PHE  31           H        PHE  31  -0.457   5.904  -4.193
  237    HA   PHE  31           HA       PHE  31  -0.689   8.621  -4.866
  238   1HB   PHE  31          2HB       PHE  31  -1.492   6.131  -5.961
  239   2HB   PHE  31          1HB       PHE  31  -2.931   7.140  -5.871
  240    HD1  PHE  31           1HD      PHE  31  -3.301   8.841  -7.428
  241    HD2  PHE  31           2HD      PHE  31   0.549   7.051  -7.140
  242    HE1  PHE  31           1HE      PHE  31  -2.605  10.019  -9.473
  243    HE2  PHE  31           2HE      PHE  31   1.253   8.228  -9.183
  244    HZ   PHE  31           HZ       PHE  31  -0.324   9.714 -10.352
  245    H    GLY  32           H        GLY  32  -2.531   6.534  -2.776
  246   1HA   GLY  32          2HA       GLY  32  -4.921   7.968  -2.572
  247   2HA   GLY  32          1HA       GLY  32  -4.237   6.959  -1.304
  248    H    VAL  33           H        VAL  33  -1.973   8.212  -0.588
  249    HA   VAL  33           HA       VAL  33  -2.894  10.370   0.960
  250    HB   VAL  33           HB       VAL  33  -0.595   8.639   0.724
  251   1HG1  VAL  33          1HG1      VAL  33   0.777  10.352   0.035
  252   2HG1  VAL  33          2HG1      VAL  33   0.988  10.317   1.783
  253   3HG1  VAL  33          3HG1      VAL  33  -0.038  11.547   1.044
  254   1HG2  VAL  33          1HG2      VAL  33  -1.469  10.372   3.004
  255   2HG2  VAL  33          2HG2      VAL  33  -0.501   8.897   3.074
  256   3HG2  VAL  33          3HG2      VAL  33  -2.197   8.820   2.590
  257    H    ALA  34           H        ALA  34  -0.351  10.178  -1.515
  258    HA   ALA  34           HA       ALA  34   0.234  12.809  -1.881
  259   1HB   ALA  34          1HB       ALA  34   1.080  12.253  -3.999
  260   2HB   ALA  34          2HB       ALA  34  -0.125  10.988  -4.244
  261   3HB   ALA  34          3HB       ALA  34   1.178  10.751  -3.080
  262    H    ALA  35           H        ALA  35  -2.558  11.051  -3.109
  263    HA   ALA  35           HA       ALA  35  -3.587  13.099  -4.766
  264   1HB   ALA  35          1HB       ALA  35  -4.841  10.691  -3.478
  265   2HB   ALA  35          2HB       ALA  35  -4.384  10.923  -5.166
  266   3HB   ALA  35          3HB       ALA  35  -5.757  11.804  -4.494
  267    H    PHE  36           H        PHE  36  -5.243  11.921  -1.845
  268    HA   PHE  36           HA       PHE  36  -6.699  14.266  -1.420
  269   1HB   PHE  36          2HB       PHE  36  -6.109  11.820   0.125
  270   2HB   PHE  36          1HB       PHE  36  -6.576  13.218   1.087
  271    HD1  PHE  36           1HD      PHE  36  -7.699  11.934  -2.232
  272    HD2  PHE  36           2HD      PHE  36  -8.761  13.000   1.749
  273    HE1  PHE  36           1HE      PHE  36 -10.064  11.492  -2.748
  274    HE2  PHE  36           2HE      PHE  36 -11.127  12.559   1.240
  275    HZ   PHE  36           HZ       PHE  36 -11.782  11.803  -1.011
  276    H    ALA  37           H        ALA  37  -3.716  13.165   0.106
  277    HA   ALA  37           HA       ALA  37  -3.253  15.144   1.942
  278   1HB   ALA  37          1HB       ALA  37  -0.970  14.505   1.911
  279   2HB   ALA  37          2HB       ALA  37  -1.072  13.959   0.237
  280   3HB   ALA  37          3HB       ALA  37  -1.892  13.055   1.511
  281    H    HIS  38           H        HIS  38  -2.247  15.181  -1.493
  282    HA   HIS  38           HA       HIS  38  -1.060  17.752  -1.349
  283   1HB   HIS  38          2HB       HIS  38  -2.044  16.089  -3.666
  284   2HB   HIS  38          1HB       HIS  38  -1.323  17.679  -3.890
  285    HD1  HIS  38           1HD      HIS  38   0.120  15.421  -5.188
  286    HD2  HIS  38           2HD      HIS  38   0.848  16.539  -1.253
  287    HE1  HIS  38           1HE      HIS  38   2.423  14.561  -4.660
  288    HE2  HIS  38           2HE      HIS  38   2.809  15.177  -2.247
  289    H    LEU  39           H        LEU  39  -4.225  16.651  -2.539
  290    HA   LEU  39           HA       LEU  39  -5.160  19.269  -3.148
  291   1HB   LEU  39          2HB       LEU  39  -5.999  16.737  -3.728
  292   2HB   LEU  39          1HB       LEU  39  -7.182  17.225  -2.530
  293    HG   LEU  39           HG       LEU  39  -7.601  19.285  -3.933
  294   1HD1  LEU  39          1HD1      LEU  39  -5.354  18.812  -5.192
  295   2HD1  LEU  39          2HD1      LEU  39  -6.723  19.535  -6.035
  296   3HD1  LEU  39          3HD1      LEU  39  -6.383  17.813  -6.218
  297   1HD2  LEU  39          1HD2      LEU  39  -9.276  17.690  -4.063
  298   2HD2  LEU  39          2HD2      LEU  39  -8.223  16.496  -4.823
  299   3HD2  LEU  39          3HD2      LEU  39  -8.800  17.882  -5.750
  300    H    LEU  40           H        LEU  40  -4.702  17.666  -0.212
  301    HA   LEU  40           HA       LEU  40  -6.847  19.078   1.166
  302   1HB   LEU  40          2HB       LEU  40  -4.903  16.938   1.954
  303   2HB   LEU  40          1HB       LEU  40  -5.777  17.840   3.177
  304    HG   LEU  40           HG       LEU  40  -7.212  16.409   0.957
  305   1HD1  LEU  40          1HD1      LEU  40  -5.735  14.830   2.195
  306   2HD1  LEU  40          2HD1      LEU  40  -7.457  14.486   2.355
  307   3HD1  LEU  40          3HD1      LEU  40  -6.588  15.270   3.674
  308   1HD2  LEU  40          1HD2      LEU  40  -8.211  18.211   2.580
  309   2HD2  LEU  40          2HD2      LEU  40  -8.246  16.862   3.714
  310   3HD2  LEU  40          3HD2      LEU  40  -9.119  16.751   2.186
  311    H    VAL  41           H        VAL  41  -3.458  19.355   0.570
  312    HA   VAL  41           HA       VAL  41  -2.731  20.856   2.849
  313    HB   VAL  41           HB       VAL  41  -1.125  19.762   1.276
  314   1HG1  VAL  41          1HG1      VAL  41  -2.441  21.253  -0.660
  315   2HG1  VAL  41          2HG1      VAL  41  -0.967  20.309  -0.873
  316   3HG1  VAL  41          3HG1      VAL  41  -0.865  22.030  -0.501
  317   1HG2  VAL  41          1HG2      VAL  41   0.022  21.092   2.720
  318   2HG2  VAL  41          2HG2      VAL  41  -0.884  22.540   2.282
  319   3HG2  VAL  41          3HG2      VAL  41   0.393  21.943   1.220
  320    H    TRP  42           H        TRP  42  -4.388  21.691  -0.079
  321    HA   TRP  42           HA       TRP  42  -5.369  23.602  -0.811
  322   1HB   TRP  42          2HB       TRP  42  -5.726  23.554   1.943
  323   2HB   TRP  42          1HB       TRP  42  -5.131  25.180   1.624
  324    HD1  TRP  42           HD       TRP  42  -6.905  26.887   0.904
  325    HE1  TRP  42           1HE      TRP  42  -9.334  26.768   0.062
  326    HE3  TRP  42           3HE      TRP  42  -7.355  21.815   0.435
  327    HZ2  TRP  42           2HZ      TRP  42 -11.195  24.787  -0.700
  328    HZ3  TRP  42           3HZ      TRP  42  -9.493  20.889  -0.356
  329    HH2  TRP  42           HH       TRP  42 -11.373  22.346  -0.911
  330    H    ILE  43           H        ILE  43  -2.358  23.347  -0.722
  331    HA   ILE  43           HA       ILE  43  -1.824  26.044  -1.605
  332    HB   ILE  43           HB       ILE  43   0.203  26.300  -0.179
  333   1HG1  ILE  43          2HG1      ILE  43  -0.868  24.478   1.875
  334   2HG1  ILE  43          1HG1      ILE  43  -0.180  23.678   0.465
  335   1HG2  ILE  43          1HG2      ILE  43  -2.220  26.117   1.572
  336   2HG2  ILE  43          2HG2      ILE  43  -2.127  27.294   0.261
  337   3HG2  ILE  43          3HG2      ILE  43  -0.941  27.331   1.565
  338   1HD1  ILE  43          1HD1      ILE  43   1.133  25.257   2.581
  339   2HD1  ILE  43          2HD1      ILE  43   1.776  25.418   0.946
  340   3HD1  ILE  43          3HD1      ILE  43   1.693  23.830   1.710
  341    H    TRP  44           H        TRP  44  -1.738  23.094  -2.450
  342    HA   TRP  44           HA       TRP  44  -0.304  21.600  -3.481
  343   1HB   TRP  44          2HB       TRP  44  -0.235  24.216  -4.931
  344   2HB   TRP  44          1HB       TRP  44   0.735  22.873  -5.526
  345    HD1  TRP  44           HD       TRP  44  -0.828  20.491  -5.872
  346    HE1  TRP  44           1HE      TRP  44  -3.134  20.325  -7.002
  347    HE3  TRP  44           3HE      TRP  44  -2.284  25.375  -5.467
  348    HZ2  TRP  44           2HZ      TRP  44  -5.286  22.038  -7.638
  349    HZ3  TRP  44           3HZ      TRP  44  -4.481  26.028  -6.362
  350    HH2  TRP  44           HH       TRP  44  -5.949  24.393  -7.425
  351    H    ARG  45           H        ARG  45   1.027  22.565  -1.178
  352    HA   ARG  45           HA       ARG  45   3.761  22.159  -2.039
  353   1HB   ARG  45          2HB       ARG  45   2.900  24.669  -0.604
  354   2HB   ARG  45          1HB       ARG  45   4.570  24.131  -0.701
  355   1HG   ARG  45          2HG       ARG  45   4.480  24.287  -3.138
  356   2HG   ARG  45          1HG       ARG  45   2.804  24.833  -3.036
  357   1HD   ARG  45          2HD       ARG  45   3.881  26.629  -1.413
  358   2HD   ARG  45          1HD       ARG  45   5.321  26.263  -2.361
  359    HE   ARG  45           HE       ARG  45   3.062  26.780  -4.019
  360   1HH1  ARG  45          1HH1      ARG  45   5.535  28.328  -2.106
  361   2HH1  ARG  45          2HH1      ARG  45   5.496  29.799  -3.019
  362   1HH2  ARG  45          1HH2      ARG  45   3.009  28.713  -5.221
  363   2HH2  ARG  45          2HH2      ARG  45   4.062  30.018  -4.788
  364    HA   PRO  46           HA       PRO  46   2.639  20.605   2.272
  365   1HB   PRO  46          2HB       PRO  46   1.852  18.093   1.818
  366   2HB   PRO  46          1HB       PRO  46   0.728  19.447   1.653
  367   1HG   PRO  46          2HG       PRO  46   2.178  17.920  -0.467
  368   2HG   PRO  46          1HG       PRO  46   0.509  18.514  -0.458
  369   1HD   PRO  46          2HD       PRO  46   2.624  19.775  -1.718
  370   2HD   PRO  46          1HD       PRO  46   1.120  20.571  -1.219
  371    H    TRP  47           H        TRP  47   4.009  18.657  -0.369
  372    HA   TRP  47           HA       TRP  47   6.397  18.206   1.251
  373   1HB   TRP  47          2HB       TRP  47   4.433  16.177   0.561
  374   2HB   TRP  47          1HB       TRP  47   6.035  15.765  -0.044
  375    HD1  TRP  47           HD       TRP  47   7.883  15.113   1.724
  376    HE1  TRP  47           1HE      TRP  47   7.796  14.587   4.242
  377    HE3  TRP  47           3HE      TRP  47   3.191  16.860   2.757
  378    HZ2  TRP  47           2HZ      TRP  47   5.980  14.875   6.383
  379    HZ3  TRP  47           3HZ      TRP  47   2.353  16.698   5.065
  380    HH2  TRP  47           HH       TRP  47   3.721  15.725   6.839
  381    H    VAL  48           H        VAL  48   5.366  16.680  -1.788
  382    HA   VAL  48           HA       VAL  48   7.794  17.712  -3.024
  383    HB   VAL  48           HB       VAL  48   7.283  15.290  -3.179
  384   1HG1  VAL  48          1HG1      VAL  48   4.959  15.155  -3.447
  385   2HG1  VAL  48          2HG1      VAL  48   5.623  14.664  -5.004
  386   3HG1  VAL  48          3HG1      VAL  48   4.962  16.286  -4.802
  387   1HG2  VAL  48          1HG2      VAL  48   8.638  16.722  -4.860
  388   2HG2  VAL  48          2HG2      VAL  48   7.283  16.415  -5.948
  389   3HG2  VAL  48          3HG2      VAL  48   8.207  15.066  -5.287
  390    HA   PRO  49           HA       PRO  49   4.043  19.141  -5.990
  391   1HB   PRO  49          2HB       PRO  49   2.611  20.412  -3.701
  392   2HB   PRO  49          1HB       PRO  49   1.959  19.711  -5.187
  393   1HG   PRO  49          2HG       PRO  49   1.785  18.390  -2.890
  394   2HG   PRO  49          1HG       PRO  49   2.150  17.536  -4.402
  395   1HD   PRO  49          2HD       PRO  49   3.970  18.282  -2.158
  396   2HD   PRO  49          1HD       PRO  49   3.973  16.836  -3.181
  397    H    GLY  50           H        GLY  50   5.259  20.689  -6.893
  398   1HA   GLY  50          2HA       GLY  50   5.313  23.319  -5.732
  399   2HA   GLY  50          1HA       GLY  50   6.887  22.539  -5.719
  400    HA   PRO  51           HA       PRO  51   5.686  24.401  -9.994
  401   1HB   PRO  51          2HB       PRO  51   6.732  26.898  -9.804
  402   2HB   PRO  51          1HB       PRO  51   5.053  26.529  -9.397
  403   1HG   PRO  51          2HG       PRO  51   7.412  26.861  -7.584
  404   2HG   PRO  51          1HG       PRO  51   5.760  27.474  -7.393
  405   1HD   PRO  51          2HD       PRO  51   6.652  25.266  -6.105
  406   2HD   PRO  51          1HD       PRO  51   4.964  25.455  -6.620
  407    H    ASN  52           H        ASN  52   8.527  25.026  -7.962
  408    HA   ASN  52           HA       ASN  52  10.383  25.206 -10.094
  409   1HB   ASN  52          2HB       ASN  52  10.573  25.876  -7.546
  410   2HB   ASN  52          1HB       ASN  52  11.223  24.247  -7.388
  411   1HD2  ASN  52          1HD2      ASN  52  13.002  23.698  -8.902
  412   2HD2  ASN  52          2HD2      ASN  52  14.162  24.928  -9.256
  413    H    GLY  53           H        GLY  53   9.629  23.347 -11.357
  414   1HA   GLY  53          2HA       GLY  53  10.555  20.759 -10.296
  415   2HA   GLY  53          1HA       GLY  53   9.412  20.965 -11.616
  416    H    TYR  54           H        TYR  54  10.323  22.082 -13.588
  417    HA   TYR  54           HA       TYR  54  11.783  22.103 -15.327
  418   1HB   TYR  54          2HB       TYR  54  13.636  22.279 -12.981
  419   2HB   TYR  54          1HB       TYR  54  14.305  22.057 -14.593
  420    HD1  TYR  54           1HD      TYR  54  14.717  23.919 -15.920
  421    HD2  TYR  54           2HD      TYR  54  11.958  24.251 -12.699
  422    HE1  TYR  54           1HE      TYR  54  14.545  26.338 -16.325
  423    HE2  TYR  54           2HE      TYR  54  11.778  26.673 -13.095
  424    HH   TYR  54           HH       TYR  54  13.273  28.481 -14.154
  425    H    SER  55           H        SER  55  13.784  20.105 -13.186
  426    HA   SER  55           HA       SER  55  13.868  18.041 -15.226
  427   1HB   SER  55          2HB       SER  55  15.341  18.415 -12.615
  428   2HB   SER  55          1HB       SER  55  15.522  16.977 -13.619
  429    HG   SER  55           HG       SER  55  16.006  19.641 -14.474
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1   8.904 -35.217  -1.293
    2    HA   ALA   1           HA       ALA   1   8.325 -37.922  -0.660
    3   1HB   ALA   1          1HB       ALA   1   7.241 -35.921   1.301
    4   2HB   ALA   1          2HB       ALA   1   8.130 -37.409   1.627
    5   3HB   ALA   1          3HB       ALA   1   6.474 -37.484   1.025
    6    H    GLU   2           H        GLU   2   5.890 -38.374  -0.927
    7    HA   GLU   2           HA       GLU   2   5.023 -36.903  -3.270
    8   1HB   GLU   2          2HB       GLU   2   4.310 -39.491  -1.984
    9   2HB   GLU   2          1HB       GLU   2   3.085 -38.714  -2.976
   10   1HG   GLU   2          2HG       GLU   2   5.283 -38.553  -4.577
   11   2HG   GLU   2          1HG       GLU   2   5.541 -40.090  -3.750
   12    H    VAL   3           H        VAL   3   4.037 -37.380   0.063
   13    HA   VAL   3           HA       VAL   3   1.621 -35.790  -0.344
   14    HB   VAL   3           HB       VAL   3   2.608 -37.054   2.216
   15   1HG1  VAL   3          1HG1      VAL   3  -0.205 -36.271   1.513
   16   2HG1  VAL   3          2HG1      VAL   3   0.917 -35.149   2.283
   17   3HG1  VAL   3          3HG1      VAL   3   0.471 -36.648   3.098
   18   1HG2  VAL   3          1HG2      VAL   3   2.281 -38.890   0.824
   19   2HG2  VAL   3          2HG2      VAL   3   0.922 -38.139  -0.011
   20   3HG2  VAL   3          3HG2      VAL   3   0.727 -38.721   1.642
   21    H    LYS   4           H        LYS   4   4.102 -35.797   2.213
   22    HA   LYS   4           HA       LYS   4   4.696 -34.038   3.611
   23   1HB   LYS   4          2HB       LYS   4   6.110 -34.231   1.272
   24   2HB   LYS   4          1HB       LYS   4   5.686 -32.525   1.300
   25   1HG   LYS   4          2HG       LYS   4   6.827 -33.770   3.752
   26   2HG   LYS   4          1HG       LYS   4   7.895 -33.380   2.403
   27   1HD   LYS   4          2HD       LYS   4   8.004 -31.333   3.305
   28   2HD   LYS   4          1HD       LYS   4   6.384 -31.102   2.647
   29   1HE   LYS   4          2HE       LYS   4   6.472 -32.479   5.237
   30   2HE   LYS   4          1HE       LYS   4   7.055 -30.815   5.269
   31   1HZ   LYS   4          1HZ       LYS   4   4.373 -31.825   4.866
   32   2HZ   LYS   4          2HZ       LYS   4   4.816 -30.565   3.828
   33   3HZ   LYS   4          3HZ       LYS   4   4.890 -30.345   5.504
   34    H    GLN   5           H        GLN   5   2.016 -33.674   3.053
   35    HA   GLN   5           HA       GLN   5   0.522 -32.012   3.613
   36   1HB   GLN   5          2HB       GLN   5   1.177 -29.912   4.124
   37   2HB   GLN   5          1HB       GLN   5   2.792 -30.592   4.001
   38   1HG   GLN   5          2HG       GLN   5   2.745 -29.853   1.565
   39   2HG   GLN   5          1HG       GLN   5   1.314 -28.919   1.997
   40   1HE2  GLN   5          1HE2      GLN   5   1.783 -26.875   2.306
   41   2HE2  GLN   5          2HE2      GLN   5   3.210 -26.253   3.056
   42    H    GLU   6           H        GLU   6  -1.165 -31.859   2.320
   43    HA   GLU   6           HA       GLU   6  -0.745 -31.014  -0.465
   44   1HB   GLU   6          2HB       GLU   6  -0.977 -33.485  -0.348
   45   2HB   GLU   6          1HB       GLU   6  -2.555 -33.277   0.399
   46   1HG   GLU   6          2HG       GLU   6  -3.125 -31.906  -1.706
   47   2HG   GLU   6          1HG       GLU   6  -1.706 -32.687  -2.406
   48    H    SER   7           H        SER   7  -3.507 -31.971   1.580
   49    HA   SER   7           HA       SER   7  -5.217 -29.987   0.501
   50   1HB   SER   7          2HB       SER   7  -5.926 -32.165   1.587
   51   2HB   SER   7          1HB       SER   7  -5.591 -31.405   3.142
   52    HG   SER   7           HG       SER   7  -7.561 -30.700   2.964
   53    H    LEU   8           H        LEU   8  -3.383 -28.307   0.936
   54    HA   LEU   8           HA       LEU   8  -4.339 -26.447   2.769
   55   1HB   LEU   8          2HB       LEU   8  -2.328 -26.420   4.276
   56   2HB   LEU   8          1HB       LEU   8  -3.493 -27.705   4.532
   57    HG   LEU   8           HG       LEU   8  -1.214 -28.342   2.756
   58   1HD1  LEU   8          1HD1      LEU   8   0.331 -27.607   4.190
   59   2HD1  LEU   8          2HD1      LEU   8  -0.173 -28.947   5.219
   60   3HD1  LEU   8          3HD1      LEU   8  -0.852 -27.339   5.469
   61   1HD2  LEU   8          1HD2      LEU   8  -3.051 -29.695   4.632
   62   2HD2  LEU   8          2HD2      LEU   8  -1.419 -30.354   4.514
   63   3HD2  LEU   8          3HD2      LEU   8  -2.423 -30.226   3.072
   64    H    SER   9           H        SER   9  -1.787 -27.595   0.688
   65    HA   SER   9           HA       SER   9  -0.116 -25.374   0.627
   66   1HB   SER   9          2HB       SER   9   0.572 -26.128  -1.592
   67   2HB   SER   9          1HB       SER   9   0.362 -27.522  -0.532
   68    HG   SER   9           HG       SER   9  -1.501 -26.571  -2.451
   69    H    GLY  10           H        GLY  10  -3.279 -25.891  -0.714
   70   1HA   GLY  10          2HA       GLY  10  -3.226 -23.564  -2.416
   71   2HA   GLY  10          1HA       GLY  10  -4.628 -24.561  -2.046
   72    H    ILE  11           H        ILE  11  -4.019 -24.263   0.902
   73    HA   ILE  11           HA       ILE  11  -5.632 -21.924   1.308
   74    HB   ILE  11           HB       ILE  11  -4.195 -23.543   3.410
   75   1HG1  ILE  11          2HG1      ILE  11  -6.980 -23.948   2.294
   76   2HG1  ILE  11          1HG1      ILE  11  -5.595 -24.981   1.954
   77   1HG2  ILE  11          1HG2      ILE  11  -6.679 -21.844   3.579
   78   2HG2  ILE  11          2HG2      ILE  11  -5.075 -21.362   4.130
   79   3HG2  ILE  11          3HG2      ILE  11  -5.905 -22.708   4.908
   80   1HD1  ILE  11          1HD1      ILE  11  -5.458 -25.410   4.430
   81   2HD1  ILE  11          2HD1      ILE  11  -6.869 -26.074   3.605
   82   3HD1  ILE  11          3HD1      ILE  11  -7.020 -24.603   4.566
   83    H    THR  12           H        THR  12  -2.379 -22.842   2.446
   84    HA   THR  12           HA       THR  12  -1.710 -20.270   3.393
   85    HB   THR  12           HB       THR  12   0.716 -21.324   2.979
   86    HG1  THR  12           1HG      THR  12   0.599 -23.276   2.268
   87   1HG2  THR  12          1HG2      THR  12  -0.335 -20.885   5.182
   88   2HG2  THR  12          2HG2      THR  12   0.647 -22.348   5.128
   89   3HG2  THR  12          3HG2      THR  12  -1.112 -22.465   5.073
   90    H    GLU  13           H        GLU  13  -0.650 -21.982   0.445
   91    HA   GLU  13           HA       GLU  13   0.724 -19.780  -0.653
   92   1HB   GLU  13          2HB       GLU  13   0.831 -22.297  -1.274
   93   2HB   GLU  13          1HB       GLU  13  -0.517 -21.930  -2.341
   94   1HG   GLU  13          2HG       GLU  13   1.015 -20.040  -3.224
   95   2HG   GLU  13          1HG       GLU  13   2.308 -20.972  -2.469
   96    H    GLY  14           H        GLY  14  -2.632 -20.723  -0.718
   97   1HA   GLY  14          2HA       GLY  14  -3.399 -19.098  -2.932
   98   2HA   GLY  14          1HA       GLY  14  -4.479 -19.786  -1.730
   99    H    GLU  15           H        GLU  15  -4.075 -18.671   0.541
  100    HA   GLU  15           HA       GLU  15  -4.987 -16.021   0.280
  101   1HB   GLU  15          2HB       GLU  15  -5.523 -17.418   2.222
  102   2HB   GLU  15          1HB       GLU  15  -3.832 -17.422   2.700
  103   1HG   GLU  15          2HG       GLU  15  -3.908 -15.035   3.095
  104   2HG   GLU  15          1HG       GLU  15  -5.580 -14.977   2.538
  105    H    ALA  16           H        ALA  16  -1.825 -17.373   1.105
  106    HA   ALA  16           HA       ALA  16  -0.503 -14.979   1.702
  107   1HB   ALA  16          1HB       ALA  16   1.568 -16.229   1.201
  108   2HB   ALA  16          2HB       ALA  16   0.590 -17.533   0.528
  109   3HB   ALA  16          3HB       ALA  16   0.463 -17.130   2.240
  110    H    LYS  17           H        LYS  17  -1.152 -16.582  -1.356
  111    HA   LYS  17           HA       LYS  17   0.517 -14.916  -2.945
  112   1HB   LYS  17          2HB       LYS  17  -0.179 -17.131  -3.700
  113   2HB   LYS  17          1HB       LYS  17  -1.860 -16.619  -3.711
  114   1HG   LYS  17          2HG       LYS  17  -1.165 -16.558  -5.948
  115   2HG   LYS  17          1HG       LYS  17  -1.173 -14.876  -5.416
  116   1HD   LYS  17          2HD       LYS  17   0.849 -15.033  -6.535
  117   2HD   LYS  17          1HD       LYS  17   1.324 -15.305  -4.858
  118   1HE   LYS  17          2HE       LYS  17   0.914 -17.818  -5.474
  119   2HE   LYS  17          1HE       LYS  17   1.145 -17.239  -7.123
  120   1HZ   LYS  17          1HZ       LYS  17   3.082 -16.758  -4.928
  121   2HZ   LYS  17          2HZ       LYS  17   3.307 -16.460  -6.577
  122   3HZ   LYS  17          3HZ       LYS  17   3.198 -18.051  -6.013
  123    H    GLU  18           H        GLU  18  -3.046 -15.106  -2.892
  124    HA   GLU  18           HA       GLU  18  -3.536 -12.760  -4.281
  125   1HB   GLU  18          2HB       GLU  18  -5.248 -14.462  -3.795
  126   2HB   GLU  18          1HB       GLU  18  -5.231 -13.991  -2.102
  127   1HG   GLU  18          2HG       GLU  18  -6.064 -11.793  -2.670
  128   2HG   GLU  18          1HG       GLU  18  -6.004 -12.191  -4.386
  129    H    PHE  19           H        PHE  19  -3.401 -13.223  -0.760
  130    HA   PHE  19           HA       PHE  19  -3.923 -10.588  -0.017
  131   1HB   PHE  19          2HB       PHE  19  -3.924 -12.553   1.519
  132   2HB   PHE  19          1HB       PHE  19  -2.164 -12.555   1.456
  133    HD1  PHE  19           1HD      PHE  19  -5.008 -11.341   3.154
  134    HD2  PHE  19           2HD      PHE  19  -0.998 -10.340   2.141
  135    HE1  PHE  19           1HE      PHE  19  -4.947  -9.725   5.009
  136    HE2  PHE  19           2HE      PHE  19  -0.929  -8.723   3.994
  137    HZ   PHE  19           HZ       PHE  19  -2.904  -8.414   5.431
  138    H    HIS  20           H        HIS  20  -0.861 -12.171  -0.817
  139    HA   HIS  20           HA       HIS  20   0.833 -10.064  -0.042
  140   1HB   HIS  20          2HB       HIS  20   1.715 -12.285  -0.468
  141   2HB   HIS  20          1HB       HIS  20   1.225 -12.192  -2.156
  142    HD1  HIS  20           1HD      HIS  20   3.762 -12.630  -2.749
  143    HD2  HIS  20           2HD      HIS  20   2.985  -9.037  -0.813
  144    HE1  HIS  20           1HE      HIS  20   5.827 -11.230  -3.075
  145    HE2  HIS  20           2HE      HIS  20   5.293  -9.024  -1.981
  146    H    LYS  21           H        LYS  21  -0.283 -10.940  -3.318
  147    HA   LYS  21           HA       LYS  21   0.758  -8.683  -4.603
  148   1HB   LYS  21          2HB       LYS  21  -0.116 -10.824  -5.659
  149   2HB   LYS  21          1HB       LYS  21  -1.729 -10.151  -5.466
  150   1HG   LYS  21          2HG       LYS  21   0.274  -8.449  -6.819
  151   2HG   LYS  21          1HG       LYS  21  -0.298  -9.872  -7.693
  152   1HD   LYS  21          2HD       LYS  21  -2.637  -8.871  -6.767
  153   2HD   LYS  21          1HD       LYS  21  -1.708  -7.386  -6.982
  154   1HE   LYS  21          2HE       LYS  21  -2.215  -9.504  -9.069
  155   2HE   LYS  21          1HE       LYS  21  -2.959  -7.907  -8.998
  156   1HZ   LYS  21          1HZ       LYS  21  -0.033  -8.319  -9.235
  157   2HZ   LYS  21          2HZ       LYS  21  -0.894  -6.879  -9.448
  158   3HZ   LYS  21          3HZ       LYS  21  -1.051  -8.132 -10.573
  159    H    ILE  22           H        ILE  22  -2.583  -9.294  -3.518
  160    HA   ILE  22           HA       ILE  22  -3.652  -6.832  -4.232
  161    HB   ILE  22           HB       ILE  22  -5.477  -7.322  -2.762
  162   1HG1  ILE  22          2HG1      ILE  22  -5.170  -9.527  -1.339
  163   2HG1  ILE  22          1HG1      ILE  22  -3.477  -9.048  -1.377
  164   1HG2  ILE  22          1HG2      ILE  22  -4.318  -9.384  -4.467
  165   2HG2  ILE  22          2HG2      ILE  22  -5.949  -8.714  -4.441
  166   3HG2  ILE  22          3HG2      ILE  22  -5.501  -9.988  -3.307
  167   1HD1  ILE  22          1HD1      ILE  22  -3.835  -7.632   0.277
  168   2HD1  ILE  22          2HD1      ILE  22  -5.528  -8.125   0.324
  169   3HD1  ILE  22          3HD1      ILE  22  -5.031  -6.774  -0.695
  170    H    PHE  23           H        PHE  23  -2.025  -7.821  -1.255
  171    HA   PHE  23           HA       PHE  23  -2.547  -5.487   0.228
  172   1HB   PHE  23          2HB       PHE  23  -1.753  -7.531   1.296
  173   2HB   PHE  23          1HB       PHE  23  -0.225  -7.417   0.429
  174    HD1  PHE  23           1HD      PHE  23   1.410  -5.694   1.023
  175    HD2  PHE  23           2HD      PHE  23  -2.196  -6.197   3.225
  176    HE1  PHE  23           1HE      PHE  23   2.354  -4.360   2.863
  177    HE2  PHE  23           2HE      PHE  23  -1.260  -4.864   5.069
  178    HZ   PHE  23           HZ       PHE  23   1.017  -3.942   4.889
  179    H    THR  24           H        THR  24   0.597  -6.424  -1.156
  180    HA   THR  24           HA       THR  24   1.854  -3.997  -0.939
  181    HB   THR  24           HB       THR  24   2.462  -6.466  -2.006
  182    HG1  THR  24           1HG      THR  24   3.879  -5.108  -0.897
  183   1HG2  THR  24          1HG2      THR  24   3.510  -6.043  -4.167
  184   2HG2  THR  24          2HG2      THR  24   2.775  -4.440  -4.209
  185   3HG2  THR  24          3HG2      THR  24   1.756  -5.880  -4.245
  186    H    SER  25           H        SER  25  -0.018  -5.173  -3.731
  187    HA   SER  25           HA       SER  25   0.316  -3.023  -5.435
  188   1HB   SER  25          2HB       SER  25  -0.815  -5.071  -6.127
  189   2HB   SER  25          1HB       SER  25  -2.159  -4.720  -5.040
  190    HG   SER  25           HG       SER  25  -2.971  -3.538  -6.560
  191    H    SER  26           H        SER  26  -2.364  -3.497  -3.141
  192    HA   SER  26           HA       SER  26  -3.591  -1.026  -3.515
  193   1HB   SER  26          2HB       SER  26  -4.798  -2.731  -2.371
  194   2HB   SER  26          1HB       SER  26  -3.544  -2.888  -1.140
  195    HG   SER  26           HG       SER  26  -4.107  -0.868  -0.352
  196    H    ILE  27           H        ILE  27  -1.011  -1.950  -1.267
  197    HA   ILE  27           HA       ILE  27  -0.968   0.422   0.224
  198    HB   ILE  27           HB       ILE  27   1.250  -1.537  -0.373
  199   1HG1  ILE  27          2HG1      ILE  27  -0.534  -2.534   0.895
  200   2HG1  ILE  27          1HG1      ILE  27   0.798  -2.218   2.000
  201   1HG2  ILE  27          1HG2      ILE  27   1.257   0.989   1.178
  202   2HG2  ILE  27          2HG2      ILE  27   2.561   0.196   0.292
  203   3HG2  ILE  27          3HG2      ILE  27   2.088  -0.397   1.884
  204   1HD1  ILE  27          1HD1      ILE  27  -0.448  -0.032   2.525
  205   2HD1  ILE  27          2HD1      ILE  27  -1.069  -1.544   3.186
  206   3HD1  ILE  27          3HD1      ILE  27  -1.831  -0.821   1.769
  207    H    LEU  28           H        LEU  28   0.827  -0.479  -2.696
  208    HA   LEU  28           HA       LEU  28   2.342   1.901  -2.830
  209   1HB   LEU  28          2HB       LEU  28   1.590   0.171  -5.169
  210   2HB   LEU  28          1HB       LEU  28   3.011   1.185  -4.993
  211    HG   LEU  28           HG       LEU  28   2.723  -0.927  -2.956
  212   1HD1  LEU  28          1HD1      LEU  28   1.939  -2.201  -4.818
  213   2HD1  LEU  28          2HD1      LEU  28   3.615  -2.651  -4.509
  214   3HD1  LEU  28          3HD1      LEU  28   3.223  -1.577  -5.852
  215   1HD2  LEU  28          1HD2      LEU  28   5.186  -1.179  -3.853
  216   2HD2  LEU  28          2HD2      LEU  28   4.730   0.142  -2.776
  217   3HD2  LEU  28          3HD2      LEU  28   4.863   0.425  -4.511
  218    H    VAL  29           H        VAL  29  -0.471   0.889  -4.751
  219    HA   VAL  29           HA       VAL  29  -0.792   3.347  -6.039
  220    HB   VAL  29           HB       VAL  29  -1.846   0.697  -6.103
  221   1HG1  VAL  29          1HG1      VAL  29  -3.926   2.848  -6.105
  222   2HG1  VAL  29          2HG1      VAL  29  -3.853   1.392  -5.109
  223   3HG1  VAL  29          3HG1      VAL  29  -4.154   1.263  -6.841
  224   1HG2  VAL  29          1HG2      VAL  29  -2.631   1.686  -8.398
  225   2HG2  VAL  29          2HG2      VAL  29  -0.928   1.388  -8.044
  226   3HG2  VAL  29          3HG2      VAL  29  -1.585   3.020  -7.910
  227    H    PHE  30           H        PHE  30  -2.758   1.761  -3.502
  228    HA   PHE  30           HA       PHE  30  -4.559   3.882  -3.149
  229   1HB   PHE  30          2HB       PHE  30  -4.595   1.396  -2.311
  230   2HB   PHE  30          1HB       PHE  30  -3.838   2.077  -0.874
  231    HD1  PHE  30           1HD      PHE  30  -5.046   4.063   0.240
  232    HD2  PHE  30           2HD      PHE  30  -6.900   1.422  -2.534
  233    HE1  PHE  30           1HE      PHE  30  -7.258   4.727   1.093
  234    HE2  PHE  30           2HE      PHE  30  -9.115   2.081  -1.688
  235    HZ   PHE  30           HZ       PHE  30  -9.295   3.735   0.129
  236    H    PHE  31           H        PHE  31  -1.472   3.216  -1.643
  237    HA   PHE  31           HA       PHE  31  -1.737   5.547   0.093
  238   1HB   PHE  31          2HB       PHE  31  -0.657   3.112   0.616
  239   2HB   PHE  31          1HB       PHE  31   0.785   4.011   0.155
  240    HD1  PHE  31           1HD      PHE  31   1.933   5.085   1.822
  241    HD2  PHE  31           2HD      PHE  31  -2.249   4.444   2.286
  242    HE1  PHE  31           1HE      PHE  31   2.037   6.068   4.074
  243    HE2  PHE  31           2HE      PHE  31  -2.153   5.427   4.541
  244    HZ   PHE  31           HZ       PHE  31  -0.008   6.241   5.437
  245    H    GLY  32           H        GLY  32  -0.467   4.667  -2.913
  246   1HA   GLY  32          2HA       GLY  32   1.676   6.609  -2.954
  247   2HA   GLY  32          1HA       GLY  32   1.079   5.668  -4.325
  248    H    VAL  33           H        VAL  33  -1.596   6.187  -3.997
  249    HA   VAL  33           HA       VAL  33  -1.891   8.689  -5.326
  250    HB   VAL  33           HB       VAL  33  -4.244   8.113  -5.363
  251   1HG1  VAL  33          1HG1      VAL  33  -2.205   6.180  -6.217
  252   2HG1  VAL  33          2HG1      VAL  33  -3.386   7.075  -7.174
  253   3HG1  VAL  33          3HG1      VAL  33  -3.882   5.639  -6.278
  254   1HG2  VAL  33          1HG2      VAL  33  -3.449   6.029  -3.411
  255   2HG2  VAL  33          2HG2      VAL  33  -4.902   5.855  -4.391
  256   3HG2  VAL  33          3HG2      VAL  33  -4.734   7.225  -3.292
  257    H    ALA  34           H        ALA  34  -2.848   7.331  -2.196
  258    HA   ALA  34           HA       ALA  34  -4.163   9.591  -1.183
  259   1HB   ALA  34          1HB       ALA  34  -2.897   7.200   0.121
  260   2HB   ALA  34          2HB       ALA  34  -4.611   7.559  -0.097
  261   3HB   ALA  34          3HB       ALA  34  -3.655   8.484   1.062
  262    H    ALA  35           H        ALA  35  -0.823   8.465  -1.002
  263    HA   ALA  35           HA       ALA  35   0.161  10.407   0.774
  264   1HB   ALA  35          1HB       ALA  35   1.556   8.881  -1.425
  265   2HB   ALA  35          2HB       ALA  35   1.461   8.440   0.281
  266   3HB   ALA  35          3HB       ALA  35   2.381   9.861  -0.213
  267    H    PHE  36           H        PHE  36   0.331  10.280  -2.786
  268    HA   PHE  36           HA       PHE  36   1.259  12.963  -3.031
  269   1HB   PHE  36          2HB       PHE  36   0.132  10.955  -4.973
  270   2HB   PHE  36          1HB       PHE  36   0.478  12.607  -5.473
  271    HD1  PHE  36           1HD      PHE  36   2.463  12.874  -6.571
  272    HD2  PHE  36           2HD      PHE  36   2.202   9.950  -3.491
  273    HE1  PHE  36           1HE      PHE  36   4.815  12.266  -6.955
  274    HE2  PHE  36           2HE      PHE  36   4.554   9.336  -3.869
  275    HZ   PHE  36           HZ       PHE  36   5.864  10.494  -5.604
  276    H    ALA  37           H        ALA  37  -1.839  11.435  -2.774
  277    HA   ALA  37           HA       ALA  37  -3.529  13.359  -3.869
  278   1HB   ALA  37          1HB       ALA  37  -5.140  12.430  -2.031
  279   2HB   ALA  37          2HB       ALA  37  -3.833  11.285  -1.744
  280   3HB   ALA  37          3HB       ALA  37  -4.588  11.376  -3.333
  281    H    HIS  38           H        HIS  38  -2.685  12.954  -0.424
  282    HA   HIS  38           HA       HIS  38  -3.810  15.453   0.334
  283   1HB   HIS  38          2HB       HIS  38  -1.836  13.700   1.814
  284   2HB   HIS  38          1HB       HIS  38  -2.756  15.027   2.517
  285    HD1  HIS  38           1HD      HIS  38  -3.062  11.483   1.414
  286    HD2  HIS  38           2HD      HIS  38  -5.480  14.476   2.982
  287    HE1  HIS  38           1HE      HIS  38  -5.178  10.330   2.133
  288    HE2  HIS  38           2HE      HIS  38  -6.654  12.172   3.016
  289    H    LEU  39           H        LEU  39  -0.567  14.361  -0.492
  290    HA   LEU  39           HA       LEU  39   0.797  16.702   0.318
  291   1HB   LEU  39          2HB       LEU  39   1.411  14.339  -1.358
  292   2HB   LEU  39          1HB       LEU  39   2.400  15.762  -1.623
  293    HG   LEU  39           HG       LEU  39   2.988  15.770   0.784
  294   1HD1  LEU  39          1HD1      LEU  39   1.866  13.016   1.025
  295   2HD1  LEU  39          2HD1      LEU  39   0.826  14.411   1.314
  296   3HD1  LEU  39          3HD1      LEU  39   2.280  14.180   2.286
  297   1HD2  LEU  39          1HD2      LEU  39   4.462  14.703  -0.828
  298   2HD2  LEU  39          2HD2      LEU  39   3.559  13.196  -0.681
  299   3HD2  LEU  39          3HD2      LEU  39   4.469  13.816   0.696
  300    H    LEU  40           H        LEU  40  -1.302  16.108  -2.291
  301    HA   LEU  40           HA       LEU  40  -0.181  18.276  -3.903
  302   1HB   LEU  40          2HB       LEU  40  -2.003  15.998  -4.406
  303   2HB   LEU  40          1HB       LEU  40  -2.334  17.463  -5.308
  304    HG   LEU  40           HG       LEU  40  -0.136  17.417  -6.308
  305   1HD1  LEU  40          1HD1      LEU  40   0.748  16.176  -4.105
  306   2HD1  LEU  40          2HD1      LEU  40   1.608  16.142  -5.643
  307   3HD1  LEU  40          3HD1      LEU  40   0.583  14.786  -5.177
  308   1HD2  LEU  40          1HD2      LEU  40  -1.182  14.608  -6.473
  309   2HD2  LEU  40          2HD2      LEU  40  -0.419  15.576  -7.733
  310   3HD2  LEU  40          3HD2      LEU  40  -2.045  15.973  -7.179
  311    H    VAL  41           H        VAL  41  -3.294  17.304  -2.472
  312    HA   VAL  41           HA       VAL  41  -4.579  19.774  -3.027
  313    HB   VAL  41           HB       VAL  41  -6.288  18.969  -1.360
  314   1HG1  VAL  41          1HG1      VAL  41  -7.213  17.373  -2.840
  315   2HG1  VAL  41          2HG1      VAL  41  -5.623  16.903  -3.442
  316   3HG1  VAL  41          3HG1      VAL  41  -6.283  18.490  -3.840
  317   1HG2  VAL  41          1HG2      VAL  41  -5.869  17.277   0.023
  318   2HG2  VAL  41          2HG2      VAL  41  -4.194  17.318  -0.526
  319   3HG2  VAL  41          3HG2      VAL  41  -5.352  16.242  -1.308
  320    H    TRP  42           H        TRP  42  -2.673  18.581  -0.346
  321    HA   TRP  42           HA       TRP  42  -3.426  20.333   1.665
  322   1HB   TRP  42          2HB       TRP  42  -1.898  18.469   2.058
  323   2HB   TRP  42          1HB       TRP  42  -0.661  19.251   1.079
  324    HD1  TRP  42           HD       TRP  42  -2.676  21.318   3.576
  325    HE1  TRP  42           1HE      TRP  42  -1.113  22.081   5.473
  326    HE3  TRP  42           3HE      TRP  42   1.478  18.596   2.354
  327    HZ2  TRP  42           2HZ      TRP  42   1.528  21.595   6.338
  328    HZ3  TRP  42           3HZ      TRP  42   3.480  18.804   3.769
  329    HH2  TRP  42           HH       TRP  42   3.503  20.273   5.719
  330    H    ILE  43           H        ILE  43  -1.565  20.934  -1.205
  331    HA   ILE  43           HA       ILE  43  -0.205  23.255  -0.460
  332    HB   ILE  43           HB       ILE  43   0.132  22.011  -2.603
  333   1HG1  ILE  43          2HG1      ILE  43   0.635  24.006  -3.937
  334   2HG1  ILE  43          1HG1      ILE  43  -0.405  24.975  -2.898
  335   1HG2  ILE  43          1HG2      ILE  43  -1.969  23.577  -3.954
  336   2HG2  ILE  43          2HG2      ILE  43  -2.523  22.223  -2.968
  337   3HG2  ILE  43          3HG2      ILE  43  -1.376  21.949  -4.281
  338   1HD1  ILE  43          1HD1      ILE  43   2.312  24.594  -2.621
  339   2HD1  ILE  43          2HD1      ILE  43   1.607  23.554  -1.384
  340   3HD1  ILE  43          3HD1      ILE  43   1.218  25.274  -1.418
  341    H    TRP  44           H        TRP  44  -3.546  22.729  -1.330
  342    HA   TRP  44           HA       TRP  44  -4.361  25.204  -0.214
  343   1HB   TRP  44          2HB       TRP  44  -3.936  25.070  -3.149
  344   2HB   TRP  44          1HB       TRP  44  -5.417  25.850  -2.600
  345    HD1  TRP  44           HD       TRP  44  -2.212  26.876  -3.671
  346    HE1  TRP  44           1HE      TRP  44  -1.428  29.063  -2.563
  347    HE3  TRP  44           3HE      TRP  44  -5.483  27.015   0.256
  348    HZ2  TRP  44           2HZ      TRP  44  -2.105  30.637  -0.320
  349    HZ3  TRP  44           3HZ      TRP  44  -5.348  28.895   1.837
  350    HH2  TRP  44           HH       TRP  44  -3.693  30.668   1.554
  351    H    ARG  45           H        ARG  45  -5.207  22.663  -2.541
  352    HA   ARG  45           HA       ARG  45  -7.987  22.797  -2.255
  353   1HB   ARG  45          2HB       ARG  45  -6.065  21.024  -3.471
  354   2HB   ARG  45          1HB       ARG  45  -7.334  20.091  -2.688
  355   1HG   ARG  45          2HG       ARG  45  -8.961  20.859  -4.094
  356   2HG   ARG  45          1HG       ARG  45  -8.121  22.378  -4.415
  357   1HD   ARG  45          2HD       ARG  45  -6.370  20.591  -5.456
  358   2HD   ARG  45          1HD       ARG  45  -7.900  19.767  -5.753
  359    HE   ARG  45           HE       ARG  45  -8.389  21.334  -7.345
  360   1HH1  ARG  45          1HH1      ARG  45  -5.791  22.537  -5.349
  361   2HH1  ARG  45          2HH1      ARG  45  -5.498  23.921  -6.349
  362   1HH2  ARG  45          1HH2      ARG  45  -8.004  23.153  -8.661
  363   2HH2  ARG  45          2HH2      ARG  45  -6.752  24.270  -8.229
  364    HA   PRO  46           HA       PRO  46  -9.232  20.819   1.477
  365   1HB   PRO  46          2HB       PRO  46 -10.203  18.395   0.061
  366   2HB   PRO  46          1HB       PRO  46 -11.075  19.502   1.127
  367   1HG   PRO  46          2HG       PRO  46 -11.480  19.545  -1.507
  368   2HG   PRO  46          1HG       PRO  46 -11.449  21.046  -0.563
  369   1HD   PRO  46          2HD       PRO  46  -9.344  19.876  -2.337
  370   2HD   PRO  46          1HD       PRO  46  -9.828  21.572  -2.127
  371    H    TRP  47           H        TRP  47  -9.450  18.112   2.193
  372    HA   TRP  47           HA       TRP  47  -6.857  16.884   1.720
  373   1HB   TRP  47          2HB       TRP  47  -6.332  16.713   4.118
  374   2HB   TRP  47          1HB       TRP  47  -6.406  18.392   3.593
  375    HD1  TRP  47           HD       TRP  47  -9.176  19.369   3.971
  376    HE1  TRP  47           1HE      TRP  47 -10.454  19.269   6.202
  377    HE3  TRP  47           3HE      TRP  47  -6.513  15.658   6.269
  378    HZ2  TRP  47           2HZ      TRP  47 -10.348  17.811   8.617
  379    HZ3  TRP  47           3HZ      TRP  47  -7.166  14.970   8.539
  380    HH2  TRP  47           HH       TRP  47  -9.044  16.025   9.687
  381    H    VAL  48           H        VAL  48  -9.426  16.059   0.965
  382    HA   VAL  48           HA       VAL  48  -9.954  13.807   2.786
  383    HB   VAL  48           HB       VAL  48 -11.888  15.271   2.442
  384   1HG1  VAL  48          1HG1      VAL  48 -12.943  15.486   0.265
  385   2HG1  VAL  48          2HG1      VAL  48 -11.666  14.516  -0.470
  386   3HG1  VAL  48          3HG1      VAL  48 -11.290  16.098   0.211
  387   1HG2  VAL  48          1HG2      VAL  48 -12.443  13.020   2.893
  388   2HG2  VAL  48          2HG2      VAL  48 -12.047  12.513   1.251
  389   3HG2  VAL  48          3HG2      VAL  48 -13.472  13.509   1.547
  390    HA   PRO  49           HA       PRO  49  -8.319  11.147  -0.380
  391   1HB   PRO  49          2HB       PRO  49  -9.245   8.779   0.545
  392   2HB   PRO  49          1HB       PRO  49  -7.911   9.644   1.316
  393   1HG   PRO  49          2HG       PRO  49 -10.802   9.545   2.088
  394   2HG   PRO  49          1HG       PRO  49  -9.364   9.441   3.121
  395   1HD   PRO  49          2HD       PRO  49 -10.802  11.724   2.830
  396   2HD   PRO  49          1HD       PRO  49  -9.054  11.722   3.133
  397    H    GLY  50           H        GLY  50  -9.414  11.662  -2.253
  398   1HA   GLY  50          2HA       GLY  50 -11.315   9.810  -3.215
  399   2HA   GLY  50          1HA       GLY  50 -12.137  11.292  -2.751
  400    HA   PRO  51           HA       PRO  51 -10.724  11.428  -7.281
  401   1HB   PRO  51          2HB       PRO  51 -13.357  12.828  -7.318
  402   2HB   PRO  51          1HB       PRO  51 -12.665  11.699  -8.489
  403   1HG   PRO  51          2HG       PRO  51 -14.576  10.910  -6.813
  404   2HG   PRO  51          1HG       PRO  51 -13.226   9.836  -7.224
  405   1HD   PRO  51          2HD       PRO  51 -13.718  11.394  -4.728
  406   2HD   PRO  51          1HD       PRO  51 -12.969   9.798  -4.936
  407    H    ASN  52           H        ASN  52 -12.251  13.799  -5.138
  408    HA   ASN  52           HA       ASN  52 -10.172  15.675  -5.392
  409   1HB   ASN  52          2HB       ASN  52 -11.460  15.778  -7.676
  410   2HB   ASN  52          1HB       ASN  52 -12.637  16.706  -6.749
  411   1HD2  ASN  52          1HD2      ASN  52 -12.210  18.547  -7.977
  412   2HD2  ASN  52          2HD2      ASN  52 -10.769  19.475  -7.756
  413    H    GLY  53           H        GLY  53 -13.729  15.647  -5.078
  414   1HA   GLY  53          2HA       GLY  53 -14.414  15.789  -2.625
  415   2HA   GLY  53          1HA       GLY  53 -13.421  17.238  -2.613
  416    H    TYR  54           H        TYR  54 -14.342  19.124  -3.120
  417    HA   TYR  54           HA       TYR  54 -16.048  20.609  -3.441
  418   1HB   TYR  54          2HB       TYR  54 -16.962  20.598  -5.708
  419   2HB   TYR  54          1HB       TYR  54 -15.236  20.258  -5.732
  420    HD1  TYR  54           1HD      TYR  54 -18.582  18.888  -6.309
  421    HD2  TYR  54           2HD      TYR  54 -14.408  18.063  -6.370
  422    HE1  TYR  54           1HE      TYR  54 -19.010  16.849  -7.613
  423    HE2  TYR  54           2HE      TYR  54 -14.825  16.022  -7.676
  424    HH   TYR  54           HH       TYR  54 -16.809  14.412  -7.994
  425    H    SER  55           H        SER  55 -16.777  18.242  -1.901
  426    HA   SER  55           HA       SER  55 -19.653  18.547  -2.087
  427   1HB   SER  55          2HB       SER  55 -18.232  16.013  -2.759
  428   2HB   SER  55          1HB       SER  55 -19.730  15.896  -1.837
  429    HG   SER  55           HG       SER  55 -20.482  15.928  -3.841
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  -2.071 -38.193   7.557
    2    HA   ALA   1           HA       ALA   1  -3.153 -38.021   4.939
    3   1HB   ALA   1          1HB       ALA   1  -1.556 -39.959   4.607
    4   2HB   ALA   1          2HB       ALA   1  -3.236 -40.241   4.153
    5   3HB   ALA   1          3HB       ALA   1  -2.613 -40.886   5.671
    6    H    GLU   2           H        GLU   2  -4.596 -37.029   6.540
    7    HA   GLU   2           HA       GLU   2  -6.523 -39.003   7.546
    8   1HB   GLU   2          2HB       GLU   2  -5.126 -36.862   9.057
    9   2HB   GLU   2          1HB       GLU   2  -6.835 -37.092   9.403
   10   1HG   GLU   2          2HG       GLU   2  -5.250 -39.558   9.334
   11   2HG   GLU   2          1HG       GLU   2  -4.818 -38.427  10.615
   12    H    VAL   3           H        VAL   3  -6.194 -35.453   7.392
   13    HA   VAL   3           HA       VAL   3  -8.350 -35.238   5.497
   14    HB   VAL   3           HB       VAL   3  -9.685 -33.704   7.023
   15   1HG1  VAL   3          1HG1      VAL   3  -9.781 -36.491   8.079
   16   2HG1  VAL   3          2HG1      VAL   3 -10.112 -36.203   6.371
   17   3HG1  VAL   3          3HG1      VAL   3 -11.099 -35.419   7.606
   18   1HG2  VAL   3          1HG2      VAL   3  -8.124 -33.356   8.798
   19   2HG2  VAL   3          2HG2      VAL   3  -7.985 -35.090   9.089
   20   3HG2  VAL   3          3HG2      VAL   3  -9.493 -34.252   9.456
   21    H    LYS   4           H        LYS   4  -6.334 -33.537   7.872
   22    HA   LYS   4           HA       LYS   4  -6.480 -31.007   6.627
   23   1HB   LYS   4          2HB       LYS   4  -5.544 -31.871   9.005
   24   2HB   LYS   4          1HB       LYS   4  -4.026 -31.691   8.138
   25   1HG   LYS   4          2HG       LYS   4  -4.150 -29.442   8.113
   26   2HG   LYS   4          1HG       LYS   4  -5.905 -29.433   7.917
   27   1HD   LYS   4          2HD       LYS   4  -4.761 -30.363  10.505
   28   2HD   LYS   4          1HD       LYS   4  -4.771 -28.633  10.160
   29   1HE   LYS   4          2HE       LYS   4  -7.281 -30.119   9.651
   30   2HE   LYS   4          1HE       LYS   4  -6.814 -29.898  11.338
   31   1HZ   LYS   4          1HZ       LYS   4  -6.472 -27.445  10.538
   32   2HZ   LYS   4          2HZ       LYS   4  -8.006 -28.006  10.975
   33   3HZ   LYS   4          3HZ       LYS   4  -7.581 -27.895   9.341
   34    H    GLN   5           H        GLN   5  -4.242 -29.947   6.020
   35    HA   GLN   5           HA       GLN   5  -3.013 -29.652   4.077
   36   1HB   GLN   5          2HB       GLN   5  -1.475 -30.395   5.869
   37   2HB   GLN   5          1HB       GLN   5  -1.662 -32.052   5.313
   38   1HG   GLN   5          2HG       GLN   5  -0.238 -31.773   3.614
   39   2HG   GLN   5          1HG       GLN   5  -0.866 -30.173   3.220
   40   1HE2  GLN   5          1HE2      GLN   5  -0.415 -28.686   5.356
   41   2HE2  GLN   5          2HE2      GLN   5   1.268 -28.613   5.743
   42    H    GLU   6           H        GLU   6  -5.300 -31.160   3.413
   43    HA   GLU   6           HA       GLU   6  -4.214 -32.732   1.189
   44   1HB   GLU   6          2HB       GLU   6  -6.195 -33.634   3.242
   45   2HB   GLU   6          1HB       GLU   6  -6.329 -34.236   1.596
   46   1HG   GLU   6          2HG       GLU   6  -3.834 -34.840   1.861
   47   2HG   GLU   6          1HG       GLU   6  -4.143 -34.663   3.587
   48    H    SER   7           H        SER   7  -5.667 -30.045   1.807
   49    HA   SER   7           HA       SER   7  -6.999 -29.827  -0.655
   50   1HB   SER   7          2HB       SER   7  -8.609 -31.179   1.019
   51   2HB   SER   7          1HB       SER   7  -9.041 -29.534   1.484
   52    HG   SER   7           HG       SER   7  -8.983 -30.387  -1.213
   53    H    LEU   8           H        LEU   8  -6.763 -28.647   2.663
   54    HA   LEU   8           HA       LEU   8  -7.538 -25.993   2.164
   55   1HB   LEU   8          2HB       LEU   8  -6.085 -25.542   4.257
   56   2HB   LEU   8          1HB       LEU   8  -7.550 -26.494   4.400
   57    HG   LEU   8           HG       LEU   8  -5.103 -28.057   3.895
   58   1HD1  LEU   8          1HD1      LEU   8  -4.514 -26.101   5.504
   59   2HD1  LEU   8          2HD1      LEU   8  -4.045 -27.749   5.920
   60   3HD1  LEU   8          3HD1      LEU   8  -5.463 -27.021   6.672
   61   1HD2  LEU   8          1HD2      LEU   8  -6.234 -29.668   5.001
   62   2HD2  LEU   8          2HD2      LEU   8  -7.623 -28.652   4.616
   63   3HD2  LEU   8          3HD2      LEU   8  -6.867 -28.548   6.206
   64    H    SER   9           H        SER   9  -4.740 -27.631   1.167
   65    HA   SER   9           HA       SER   9  -2.781 -25.650   1.345
   66   1HB   SER   9          2HB       SER   9  -1.907 -26.804  -0.823
   67   2HB   SER   9          1HB       SER   9  -1.982 -27.743   0.668
   68    HG   SER   9           HG       SER   9  -3.671 -28.851  -0.090
   69    H    GLY  10           H        GLY  10  -5.600 -25.855  -0.625
   70   1HA   GLY  10          2HA       GLY  10  -4.718 -24.044  -2.671
   71   2HA   GLY  10          1HA       GLY  10  -6.365 -24.595  -2.400
   72    H    ILE  11           H        ILE  11  -6.526 -23.771   0.353
   73    HA   ILE  11           HA       ILE  11  -7.146 -20.997  -0.087
   74    HB   ILE  11           HB       ILE  11  -7.895 -21.072   2.299
   75   1HG1  ILE  11          2HG1      ILE  11  -7.415 -24.038   2.096
   76   2HG1  ILE  11          1HG1      ILE  11  -6.301 -22.945   2.910
   77   1HG2  ILE  11          1HG2      ILE  11  -8.983 -22.974   0.260
   78   2HG2  ILE  11          2HG2      ILE  11  -9.580 -21.378   0.714
   79   3HG2  ILE  11          3HG2      ILE  11  -9.775 -22.739   1.818
   80   1HD1  ILE  11          1HD1      ILE  11  -9.057 -22.643   3.795
   81   2HD1  ILE  11          2HD1      ILE  11  -7.575 -22.844   4.731
   82   3HD1  ILE  11          3HD1      ILE  11  -8.399 -24.257   4.071
   83    H    THR  12           H        THR  12  -4.720 -22.879   1.595
   84    HA   THR  12           HA       THR  12  -3.590 -20.766   3.106
   85    HB   THR  12           HB       THR  12  -1.905 -23.040   2.155
   86    HG1  THR  12           1HG      THR  12  -3.627 -24.245   2.588
   87   1HG2  THR  12          1HG2      THR  12  -0.974 -21.525   3.803
   88   2HG2  THR  12          2HG2      THR  12  -1.218 -23.131   4.490
   89   3HG2  THR  12          3HG2      THR  12  -2.342 -21.828   4.872
   90    H    GLU  13           H        GLU  13  -2.447 -22.347   0.117
   91    HA   GLU  13           HA       GLU  13  -0.452 -20.379  -0.382
   92   1HB   GLU  13          2HB       GLU  13  -0.823 -22.884  -1.278
   93   2HB   GLU  13          1HB       GLU  13  -1.501 -21.999  -2.638
   94   1HG   GLU  13          2HG       GLU  13   0.519 -20.992  -3.157
   95   2HG   GLU  13          1HG       GLU  13   1.189 -21.282  -1.552
   96    H    GLY  14           H        GLY  14  -3.797 -20.764  -1.292
   97   1HA   GLY  14          2HA       GLY  14  -3.815 -18.854  -3.404
   98   2HA   GLY  14          1HA       GLY  14  -5.223 -19.458  -2.542
   99    H    GLU  15           H        GLU  15  -4.887 -18.654  -0.017
  100    HA   GLU  15           HA       GLU  15  -5.552 -15.918  -0.101
  101   1HB   GLU  15          2HB       GLU  15  -5.716 -16.021   2.279
  102   2HB   GLU  15          1HB       GLU  15  -6.282 -17.566   1.661
  103   1HG   GLU  15          2HG       GLU  15  -3.872 -18.368   2.083
  104   2HG   GLU  15          1HG       GLU  15  -3.737 -16.931   3.095
  105    H    ALA  16           H        ALA  16  -2.590 -17.652   0.639
  106    HA   ALA  16           HA       ALA  16  -1.061 -15.522   1.632
  107   1HB   ALA  16          1HB       ALA  16  -0.476 -17.980   1.660
  108   2HB   ALA  16          2HB       ALA  16   0.842 -16.889   1.232
  109   3HB   ALA  16          3HB       ALA  16   0.007 -17.800  -0.026
  110    H    LYS  17           H        LYS  17  -1.472 -16.768  -1.657
  111    HA   LYS  17           HA       LYS  17   0.240 -14.997  -2.983
  112   1HB   LYS  17          2HB       LYS  17  -1.047 -17.123  -3.810
  113   2HB   LYS  17          1HB       LYS  17  -2.302 -15.969  -4.242
  114   1HG   LYS  17          2HG       LYS  17  -1.180 -15.980  -6.202
  115   2HG   LYS  17          1HG       LYS  17  -0.222 -14.749  -5.377
  116   1HD   LYS  17          2HD       LYS  17   1.515 -16.249  -4.913
  117   2HD   LYS  17          1HD       LYS  17   0.498 -17.658  -5.217
  118   1HE   LYS  17          2HE       LYS  17   2.071 -17.323  -7.042
  119   2HE   LYS  17          1HE       LYS  17   0.413 -17.082  -7.593
  120   1HZ   LYS  17          1HZ       LYS  17   0.708 -14.796  -7.726
  121   2HZ   LYS  17          2HZ       LYS  17   2.175 -15.402  -8.311
  122   3HZ   LYS  17          3HZ       LYS  17   2.079 -14.801  -6.733
  123    H    GLU  18           H        GLU  18  -3.277 -14.820  -2.472
  124    HA   GLU  18           HA       GLU  18  -3.728 -12.359  -3.695
  125   1HB   GLU  18          2HB       GLU  18  -5.134 -13.979  -1.634
  126   2HB   GLU  18          1HB       GLU  18  -5.613 -12.295  -1.799
  127   1HG   GLU  18          2HG       GLU  18  -5.578 -13.124  -4.395
  128   2HG   GLU  18          1HG       GLU  18  -6.112 -14.577  -3.551
  129    H    PHE  19           H        PHE  19  -2.811 -13.117  -0.370
  130    HA   PHE  19           HA       PHE  19  -2.968 -10.567   0.725
  131   1HB   PHE  19          2HB       PHE  19  -1.686 -13.108   1.423
  132   2HB   PHE  19          1HB       PHE  19  -0.832 -11.700   2.042
  133    HD1  PHE  19           1HD      PHE  19  -2.402  -9.898   3.180
  134    HD2  PHE  19           2HD      PHE  19  -3.349 -14.020   2.711
  135    HE1  PHE  19           1HE      PHE  19  -4.009  -9.735   5.035
  136    HE2  PHE  19           2HE      PHE  19  -4.959 -13.866   4.566
  137    HZ   PHE  19           HZ       PHE  19  -5.290 -11.720   5.730
  138    H    HIS  20           H        HIS  20  -0.359 -12.144  -1.057
  139    HA   HIS  20           HA       HIS  20   1.578 -10.125  -0.686
  140   1HB   HIS  20          2HB       HIS  20   1.224 -12.434  -2.522
  141   2HB   HIS  20          1HB       HIS  20   2.343 -11.176  -3.038
  142    HD1  HIS  20           1HD      HIS  20   1.941 -13.942  -0.596
  143    HD2  HIS  20           2HD      HIS  20   4.653 -10.902  -1.416
  144    HE1  HIS  20           1HE      HIS  20   4.009 -14.514   0.715
  145    HE2  HIS  20           2HE      HIS  20   5.605 -12.616   0.270
  146    H    LYS  21           H        LYS  21  -0.512 -10.811  -3.496
  147    HA   LYS  21           HA       LYS  21   0.166  -8.557  -4.992
  148   1HB   LYS  21          2HB       LYS  21  -2.395 -10.156  -4.905
  149   2HB   LYS  21          1HB       LYS  21  -2.075  -8.903  -6.096
  150   1HG   LYS  21          2HG       LYS  21  -0.257 -11.260  -5.713
  151   2HG   LYS  21          1HG       LYS  21  -1.643 -11.293  -6.805
  152   1HD   LYS  21          2HD       LYS  21  -0.728  -9.409  -8.048
  153   2HD   LYS  21          1HD       LYS  21   0.638  -9.320  -6.933
  154   1HE   LYS  21          2HE       LYS  21   0.182 -11.952  -8.172
  155   2HE   LYS  21          1HE       LYS  21   0.666 -10.669  -9.280
  156   1HZ   LYS  21          1HZ       LYS  21   2.469 -10.232  -7.490
  157   2HZ   LYS  21          2HZ       LYS  21   2.678 -11.496  -8.594
  158   3HZ   LYS  21          3HZ       LYS  21   2.149 -11.827  -7.022
  159    H    ILE  22           H        ILE  22  -2.726  -9.010  -2.955
  160    HA   ILE  22           HA       ILE  22  -3.767  -6.467  -3.132
  161    HB   ILE  22           HB       ILE  22  -5.027  -6.928  -1.180
  162   1HG1  ILE  22          2HG1      ILE  22  -3.009  -9.066  -0.496
  163   2HG1  ILE  22          1HG1      ILE  22  -3.187  -7.523   0.328
  164   1HG2  ILE  22          1HG2      ILE  22  -5.148  -9.667  -1.666
  165   2HG2  ILE  22          2HG2      ILE  22  -4.652  -8.932  -3.190
  166   3HG2  ILE  22          3HG2      ILE  22  -6.133  -8.401  -2.396
  167   1HD1  ILE  22          1HD1      ILE  22  -4.220  -9.272   1.615
  168   2HD1  ILE  22          2HD1      ILE  22  -5.215  -9.741   0.236
  169   3HD1  ILE  22          3HD1      ILE  22  -5.457  -8.173   1.005
  170    H    PHE  23           H        PHE  23  -1.175  -7.673  -1.099
  171    HA   PHE  23           HA       PHE  23  -0.951  -5.475   0.640
  172   1HB   PHE  23          2HB       PHE  23   0.176  -7.595   1.094
  173   2HB   PHE  23          1HB       PHE  23   1.189  -7.384  -0.330
  174    HD1  PHE  23           1HD      PHE  23   0.349  -5.807   2.928
  175    HD2  PHE  23           2HD      PHE  23   3.243  -6.326  -0.149
  176    HE1  PHE  23           1HE      PHE  23   2.013  -4.622   4.299
  177    HE2  PHE  23           2HE      PHE  23   4.913  -5.143   1.217
  178    HZ   PHE  23           HZ       PHE  23   4.299  -4.289   3.444
  179    H    THR  24           H        THR  24   1.035  -6.254  -2.220
  180    HA   THR  24           HA       THR  24   2.427  -3.864  -2.359
  181    HB   THR  24           HB       THR  24   2.295  -6.203  -3.835
  182    HG1  THR  24           1HG      THR  24   4.156  -5.019  -3.403
  183   1HG2  THR  24          1HG2      THR  24   2.242  -5.493  -6.180
  184   2HG2  THR  24          2HG2      THR  24   1.635  -3.916  -5.674
  185   3HG2  THR  24          3HG2      THR  24   0.668  -5.364  -5.398
  186    H    SER  25           H        SER  25  -0.596  -4.759  -4.015
  187    HA   SER  25           HA       SER  25  -1.053  -2.391  -5.382
  188   1HB   SER  25          2HB       SER  25  -3.053  -4.296  -4.142
  189   2HB   SER  25          1HB       SER  25  -3.470  -3.026  -5.293
  190    HG   SER  25           HG       SER  25  -1.832  -4.105  -6.684
  191    H    SER  26           H        SER  26  -1.995  -3.289  -2.085
  192    HA   SER  26           HA       SER  26  -3.428  -0.990  -1.426
  193   1HB   SER  26          2HB       SER  26  -3.314  -1.706   0.799
  194   2HB   SER  26          1HB       SER  26  -3.106  -3.208  -0.103
  195    HG   SER  26           HG       SER  26  -1.022  -3.272   0.443
  196    H    ILE  27           H        ILE  27   0.030  -1.642  -1.361
  197    HA   ILE  27           HA       ILE  27   0.823   0.691   0.016
  198    HB   ILE  27           HB       ILE  27   2.387  -0.905  -2.020
  199   1HG1  ILE  27          2HG1      ILE  27   2.703  -1.148   0.949
  200   2HG1  ILE  27          1HG1      ILE  27   1.397  -2.013   0.146
  201   1HG2  ILE  27          1HG2      ILE  27   4.364   0.015  -0.842
  202   2HG2  ILE  27          2HG2      ILE  27   3.286   1.056   0.087
  203   3HG2  ILE  27          3HG2      ILE  27   3.406   1.248  -1.662
  204   1HD1  ILE  27          1HD1      ILE  27   4.142  -2.713   0.364
  205   2HD1  ILE  27          2HD1      ILE  27   3.739  -2.499  -1.339
  206   3HD1  ILE  27          3HD1      ILE  27   2.815  -3.629  -0.349
  207    H    LEU  28           H        LEU  28   0.666  -0.043  -3.467
  208    HA   LEU  28           HA       LEU  28   1.527   2.460  -4.397
  209   1HB   LEU  28          2HB       LEU  28  -0.258   0.362  -5.613
  210   2HB   LEU  28          1HB       LEU  28   0.203   1.813  -6.477
  211    HG   LEU  28           HG       LEU  28   1.505  -0.513  -6.694
  212   1HD1  LEU  28          1HD1      LEU  28   3.233   1.893  -6.748
  213   2HD1  LEU  28          2HD1      LEU  28   1.783   1.899  -7.750
  214   3HD1  LEU  28          3HD1      LEU  28   2.995   0.637  -7.963
  215   1HD2  LEU  28          1HD2      LEU  28   3.650  -0.320  -5.454
  216   2HD2  LEU  28          2HD2      LEU  28   2.261  -0.665  -4.425
  217   3HD2  LEU  28          3HD2      LEU  28   2.927   0.965  -4.487
  218    H    VAL  29           H        VAL  29  -1.739   1.182  -3.936
  219    HA   VAL  29           HA       VAL  29  -3.125   3.494  -4.623
  220    HB   VAL  29           HB       VAL  29  -3.637   0.826  -3.808
  221   1HG1  VAL  29          1HG1      VAL  29  -5.258   2.818  -2.257
  222   2HG1  VAL  29          2HG1      VAL  29  -4.110   1.653  -1.595
  223   3HG1  VAL  29          3HG1      VAL  29  -5.582   1.088  -2.385
  224   1HG2  VAL  29          1HG2      VAL  29  -5.961   1.499  -4.666
  225   2HG2  VAL  29          2HG2      VAL  29  -4.581   1.548  -5.764
  226   3HG2  VAL  29          3HG2      VAL  29  -5.190   3.039  -5.046
  227    H    PHE  30           H        PHE  30  -1.639   2.375  -1.654
  228    HA   PHE  30           HA       PHE  30  -2.963   4.063   0.170
  229   1HB   PHE  30          2HB       PHE  30  -0.538   2.404   0.162
  230   2HB   PHE  30          1HB       PHE  30  -0.415   3.821   1.199
  231    HD1  PHE  30           1HD      PHE  30  -3.486   1.877   0.494
  232    HD2  PHE  30           2HD      PHE  30  -0.437   2.811   3.312
  233    HE1  PHE  30           1HE      PHE  30  -4.753   0.704   2.246
  234    HE2  PHE  30           2HE      PHE  30  -1.698   1.639   5.070
  235    HZ   PHE  30           HZ       PHE  30  -3.859   0.583   4.538
  236    H    PHE  31           H        PHE  31   0.404   4.454  -0.901
  237    HA   PHE  31           HA       PHE  31   0.526   7.205  -0.328
  238   1HB   PHE  31          2HB       PHE  31   2.204   5.249  -1.802
  239   2HB   PHE  31          1HB       PHE  31   2.453   6.948  -2.190
  240    HD1  PHE  31           1HD      PHE  31   3.917   8.189  -0.915
  241    HD2  PHE  31           2HD      PHE  31   2.211   4.659   0.738
  242    HE1  PHE  31           1HE      PHE  31   5.346   8.435   1.073
  243    HE2  PHE  31           2HE      PHE  31   3.636   4.898   2.730
  244    HZ   PHE  31           HZ       PHE  31   5.206   6.788   2.899
  245    H    GLY  32           H        GLY  32  -0.615   5.390  -3.049
  246   1HA   GLY  32          2HA       GLY  32  -0.539   7.325  -5.068
  247   2HA   GLY  32          1HA       GLY  32  -1.690   5.997  -4.974
  248    H    VAL  33           H        VAL  33  -3.158   6.513  -2.797
  249    HA   VAL  33           HA       VAL  33  -4.893   8.537  -3.635
  250    HB   VAL  33           HB       VAL  33  -4.932   6.319  -1.951
  251   1HG1  VAL  33          1HG1      VAL  33  -4.319   7.578  -0.015
  252   2HG1  VAL  33          2HG1      VAL  33  -6.029   7.169   0.088
  253   3HG1  VAL  33          3HG1      VAL  33  -5.540   8.801  -0.368
  254   1HG2  VAL  33          1HG2      VAL  33  -6.965   8.394  -2.602
  255   2HG2  VAL  33          2HG2      VAL  33  -7.330   6.844  -1.839
  256   3HG2  VAL  33          3HG2      VAL  33  -6.629   6.890  -3.459
  257    H    ALA  34           H        ALA  34  -2.711   8.220  -0.884
  258    HA   ALA  34           HA       ALA  34  -3.173  10.666   0.347
  259   1HB   ALA  34          1HB       ALA  34  -0.665  10.359   1.043
  260   2HB   ALA  34          2HB       ALA  34  -0.851   8.786   0.268
  261   3HB   ALA  34          3HB       ALA  34  -1.890   9.230   1.622
  262    H    ALA  35           H        ALA  35  -1.212   9.810  -2.420
  263    HA   ALA  35           HA       ALA  35   0.239  12.219  -2.668
  264   1HB   ALA  35          1HB       ALA  35   1.216  10.635  -3.966
  265   2HB   ALA  35          2HB       ALA  35   0.181  11.354  -5.200
  266   3HB   ALA  35          3HB       ALA  35  -0.319   9.873  -4.385
  267    H    PHE  36           H        PHE  36  -2.362  11.074  -4.832
  268    HA   PHE  36           HA       PHE  36  -2.937  13.598  -5.906
  269   1HB   PHE  36          2HB       PHE  36  -4.341  10.972  -5.807
  270   2HB   PHE  36          1HB       PHE  36  -5.296  12.383  -6.250
  271    HD1  PHE  36           1HD      PHE  36  -3.137   9.849  -7.424
  272    HD2  PHE  36           2HD      PHE  36  -4.325  13.872  -8.136
  273    HE1  PHE  36           1HE      PHE  36  -2.299   9.683  -9.731
  274    HE2  PHE  36           2HE      PHE  36  -3.491  13.714 -10.445
  275    HZ   PHE  36           HZ       PHE  36  -2.477  11.617 -11.246
  276    H    ALA  37           H        ALA  37  -3.911  12.049  -2.983
  277    HA   ALA  37           HA       ALA  37  -6.195  13.482  -2.282
  278   1HB   ALA  37          1HB       ALA  37  -5.725  11.602  -0.974
  279   2HB   ALA  37          2HB       ALA  37  -5.385  12.952   0.108
  280   3HB   ALA  37          3HB       ALA  37  -4.059  12.104  -0.685
  281    H    HIS  38           H        HIS  38  -2.793  14.110  -1.431
  282    HA   HIS  38           HA       HIS  38  -3.354  16.586  -0.142
  283   1HB   HIS  38          2HB       HIS  38  -0.689  15.749  -1.282
  284   2HB   HIS  38          1HB       HIS  38  -0.993  16.836   0.068
  285    HD1  HIS  38           1HD      HIS  38  -3.159  14.717   1.305
  286    HD2  HIS  38           2HD      HIS  38   0.841  14.069   0.385
  287    HE1  HIS  38           1HE      HIS  38  -2.447  12.772   2.732
  288    HE2  HIS  38           2HE      HIS  38  -0.043  12.352   2.105
  289    H    LEU  39           H        LEU  39  -2.408  15.645  -3.394
  290    HA   LEU  39           HA       LEU  39  -1.864  18.274  -4.330
  291   1HB   LEU  39          2HB       LEU  39  -1.543  15.729  -5.324
  292   2HB   LEU  39          1HB       LEU  39  -2.826  16.368  -6.334
  293    HG   LEU  39           HG       LEU  39  -1.358  18.318  -6.868
  294   1HD1  LEU  39          1HD1      LEU  39   0.552  16.745  -5.178
  295   2HD1  LEU  39          2HD1      LEU  39   0.162  18.463  -5.110
  296   3HD1  LEU  39          3HD1      LEU  39   1.127  17.831  -6.444
  297   1HD2  LEU  39          1HD2      LEU  39  -1.412  16.740  -8.559
  298   2HD2  LEU  39          2HD2      LEU  39  -0.627  15.506  -7.573
  299   3HD2  LEU  39          3HD2      LEU  39   0.312  16.855  -8.209
  300    H    LEU  40           H        LEU  40  -4.767  16.408  -3.933
  301    HA   LEU  40           HA       LEU  40  -6.314  18.405  -5.423
  302   1HB   LEU  40          2HB       LEU  40  -8.100  16.832  -5.490
  303   2HB   LEU  40          1HB       LEU  40  -6.631  15.985  -5.938
  304    HG   LEU  40           HG       LEU  40  -6.615  15.378  -3.353
  305   1HD1  LEU  40          1HD1      LEU  40  -9.187  14.838  -2.961
  306   2HD1  LEU  40          2HD1      LEU  40  -9.370  16.307  -3.919
  307   3HD1  LEU  40          3HD1      LEU  40  -8.444  16.342  -2.418
  308   1HD2  LEU  40          1HD2      LEU  40  -8.534  13.921  -5.141
  309   2HD2  LEU  40          2HD2      LEU  40  -7.429  13.267  -3.931
  310   3HD2  LEU  40          3HD2      LEU  40  -6.797  13.910  -5.447
  311    H    VAL  41           H        VAL  41  -5.293  17.873  -2.322
  312    HA   VAL  41           HA       VAL  41  -7.654  18.359  -0.835
  313    HB   VAL  41           HB       VAL  41  -5.467  17.409   0.054
  314   1HG1  VAL  41          1HG1      VAL  41  -4.360  19.714  -0.879
  315   2HG1  VAL  41          2HG1      VAL  41  -3.626  18.655   0.327
  316   3HG1  VAL  41          3HG1      VAL  41  -4.543  20.073   0.838
  317   1HG2  VAL  41          1HG2      VAL  41  -6.898  17.684   1.781
  318   2HG2  VAL  41          2HG2      VAL  41  -7.257  19.358   1.360
  319   3HG2  VAL  41          3HG2      VAL  41  -5.769  18.965   2.221
  320    H    TRP  42           H        TRP  42  -5.366  20.427  -2.456
  321    HA   TRP  42           HA       TRP  42  -7.102  22.705  -1.991
  322   1HB   TRP  42          2HB       TRP  42  -5.171  22.487  -0.189
  323   2HB   TRP  42          1HB       TRP  42  -4.202  23.193  -1.478
  324    HD1  TRP  42           HD       TRP  42  -3.897  25.653  -0.837
  325    HE1  TRP  42           1HE      TRP  42  -5.455  27.576  -0.129
  326    HE3  TRP  42           3HE      TRP  42  -8.282  23.051  -0.452
  327    HZ2  TRP  42           2HZ      TRP  42  -8.179  27.941   0.509
  328    HZ3  TRP  42           3HZ      TRP  42 -10.317  24.261   0.213
  329    HH2  TRP  42           HH       TRP  42 -10.265  26.656   0.685
  330    H    ILE  43           H        ILE  43  -6.553  21.185  -4.295
  331    HA   ILE  43           HA       ILE  43  -5.835  21.306  -6.459
  332    HB   ILE  43           HB       ILE  43  -7.582  23.056  -6.360
  333   1HG1  ILE  43          2HG1      ILE  43  -5.667  24.264  -8.242
  334   2HG1  ILE  43          1HG1      ILE  43  -5.819  22.515  -8.378
  335   1HG2  ILE  43          1HG2      ILE  43  -6.786  25.447  -6.426
  336   2HG2  ILE  43          2HG2      ILE  43  -5.233  24.859  -5.831
  337   3HG2  ILE  43          3HG2      ILE  43  -6.687  24.647  -4.857
  338   1HD1  ILE  43          1HD1      ILE  43  -7.580  24.573  -9.301
  339   2HD1  ILE  43          2HD1      ILE  43  -8.431  23.494  -8.195
  340   3HD1  ILE  43          3HD1      ILE  43  -7.619  22.838  -9.616
  341    H    TRP  44           H        TRP  44  -3.674  21.282  -4.657
  342    HA   TRP  44           HA       TRP  44  -1.395  21.332  -4.927
  343   1HB   TRP  44          2HB       TRP  44  -2.142  22.064  -7.440
  344   2HB   TRP  44          1HB       TRP  44  -1.289  23.512  -6.913
  345    HD1  TRP  44           HD       TRP  44  -0.715  19.900  -7.921
  346    HE1  TRP  44           1HE      TRP  44   1.816  19.474  -8.122
  347    HE3  TRP  44           3HE      TRP  44   1.009  24.276  -5.916
  348    HZ2  TRP  44           2HZ      TRP  44   4.224  20.815  -7.512
  349    HZ3  TRP  44           3HZ      TRP  44   3.440  24.626  -5.760
  350    HH2  TRP  44           HH       TRP  44   5.013  22.929  -6.541
  351    H    ARG  45           H        ARG  45  -0.799  22.172  -3.029
  352    HA   ARG  45           HA       ARG  45   0.174  24.787  -2.848
  353   1HB   ARG  45          2HB       ARG  45  -2.648  24.488  -2.198
  354   2HB   ARG  45          1HB       ARG  45  -1.725  25.139  -0.850
  355   1HG   ARG  45          2HG       ARG  45  -1.263  26.330  -3.522
  356   2HG   ARG  45          1HG       ARG  45  -2.794  26.682  -2.718
  357   1HD   ARG  45          2HD       ARG  45  -0.118  27.020  -1.381
  358   2HD   ARG  45          1HD       ARG  45  -0.907  28.311  -2.288
  359    HE   ARG  45           HE       ARG  45  -1.595  27.362   0.334
  360   1HH1  ARG  45          1HH1      ARG  45  -2.797  28.958  -2.529
  361   2HH1  ARG  45          2HH1      ARG  45  -4.079  29.766  -1.692
  362   1HH2  ARG  45          1HH2      ARG  45  -3.282  28.423   1.435
  363   2HH2  ARG  45          2HH2      ARG  45  -4.355  29.462   0.559
  364    HA   PRO  46           HA       PRO  46   0.393  22.911   1.571
  365   1HB   PRO  46          2HB       PRO  46  -1.030  20.618   2.049
  366   2HB   PRO  46          1HB       PRO  46  -1.622  22.244   2.406
  367   1HG   PRO  46          2HG       PRO  46  -2.256  20.458   0.105
  368   2HG   PRO  46          1HG       PRO  46  -3.307  21.578   0.986
  369   1HD   PRO  46          2HD       PRO  46  -2.237  22.131  -1.457
  370   2HD   PRO  46          1HD       PRO  46  -2.646  23.377  -0.263
  371    H    TRP  47           H        TRP  47  -0.496  19.822   0.078
  372    HA   TRP  47           HA       TRP  47   0.688  17.947  -0.364
  373   1HB   TRP  47          2HB       TRP  47   2.574  18.170  -1.816
  374   2HB   TRP  47          1HB       TRP  47   1.441  19.454  -2.218
  375    HD1  TRP  47           HD       TRP  47   4.581  19.103   0.059
  376    HE1  TRP  47           1HE      TRP  47   5.959  21.264  -0.173
  377    HE3  TRP  47           3HE      TRP  47   1.529  21.674  -3.136
  378    HZ2  TRP  47           2HZ      TRP  47   5.776  23.733  -1.530
  379    HZ3  TRP  47           3HZ      TRP  47   2.203  23.930  -3.852
  380    HH2  TRP  47           HH       TRP  47   4.283  24.937  -3.064
  381    H    VAL  48           H        VAL  48   2.238  16.505   0.408
  382    HA   VAL  48           HA       VAL  48   4.270  17.405   2.256
  383    HB   VAL  48           HB       VAL  48   2.079  15.597   3.288
  384   1HG1  VAL  48          1HG1      VAL  48   3.930  16.905   5.152
  385   2HG1  VAL  48          2HG1      VAL  48   4.673  15.711   4.087
  386   3HG1  VAL  48          3HG1      VAL  48   3.324  15.248   5.125
  387   1HG2  VAL  48          1HG2      VAL  48   1.537  17.508   4.795
  388   2HG2  VAL  48          2HG2      VAL  48   1.168  17.805   3.097
  389   3HG2  VAL  48          3HG2      VAL  48   2.610  18.516   3.825
  390    HA   PRO  49           HA       PRO  49   4.906  13.269   0.079
  391   1HB   PRO  49          2HB       PRO  49   6.553  13.998  -1.909
  392   2HB   PRO  49          1HB       PRO  49   4.797  14.129  -2.068
  393   1HG   PRO  49          2HG       PRO  49   6.805  16.258  -1.442
  394   2HG   PRO  49          1HG       PRO  49   5.403  16.325  -2.524
  395   1HD   PRO  49          2HD       PRO  49   5.418  17.325   0.030
  396   2HD   PRO  49          1HD       PRO  49   3.954  16.781  -0.811
  397    H    GLY  50           H        GLY  50   7.282  15.898   0.458
  398   1HA   GLY  50          2HA       GLY  50   8.866  15.226   2.402
  399   2HA   GLY  50          1HA       GLY  50   9.280  13.918   1.306
  400    HA   PRO  51           HA       PRO  51  12.380  16.547  -0.407
  401   1HB   PRO  51          2HB       PRO  51  12.657  15.479  -2.882
  402   2HB   PRO  51          1HB       PRO  51  13.238  14.672  -1.421
  403   1HG   PRO  51          2HG       PRO  51  10.725  14.198  -2.977
  404   2HG   PRO  51          1HG       PRO  51  11.841  13.017  -2.267
  405   1HD   PRO  51          2HD       PRO  51   9.497  13.717  -1.091
  406   2HD   PRO  51          1HD       PRO  51  10.930  13.231  -0.165
  407    H    ASN  52           H        ASN  52   9.716  15.869  -2.685
  408    HA   ASN  52           HA       ASN  52  10.078  18.129  -4.297
  409   1HB   ASN  52          2HB       ASN  52   8.582  16.025  -4.643
  410   2HB   ASN  52          1HB       ASN  52   7.355  16.964  -3.796
  411   1HD2  ASN  52          1HD2      ASN  52   5.978  17.734  -5.216
  412   2HD2  ASN  52          2HD2      ASN  52   6.376  18.472  -6.726
  413    H    GLY  53           H        GLY  53   8.523  19.966  -4.498
  414   1HA   GLY  53          2HA       GLY  53   6.763  21.190  -3.148
  415   2HA   GLY  53          1HA       GLY  53   7.882  21.002  -1.808
  416    H    TYR  54           H        TYR  54  10.283  21.633  -2.846
  417    HA   TYR  54           HA       TYR  54  11.593  23.490  -3.078
  418   1HB   TYR  54          2HB       TYR  54  11.413  24.569  -5.255
  419   2HB   TYR  54          1HB       TYR  54  11.196  22.831  -5.416
  420    HD1  TYR  54           1HD      TYR  54   9.041  21.898  -6.042
  421    HD2  TYR  54           2HD      TYR  54   9.564  26.102  -5.644
  422    HE1  TYR  54           1HE      TYR  54   6.920  22.270  -7.229
  423    HE2  TYR  54           2HE      TYR  54   7.444  26.484  -6.827
  424    HH   TYR  54           HH       TYR  54   5.961  25.359  -8.359
  425    H    SER  55           H        SER  55   9.252  23.868  -1.386
  426    HA   SER  55           HA       SER  55   8.204  25.534  -0.249
  427   1HB   SER  55          2HB       SER  55  10.400  27.094  -1.602
  428   2HB   SER  55          1HB       SER  55   9.231  27.874  -0.537
  429    HG   SER  55           HG       SER  55  10.757  25.620   0.240
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   2.756 -33.536   6.153
    2    HA   ALA   1           HA       ALA   1   5.193 -34.969   5.903
    3   1HB   ALA   1          1HB       ALA   1   4.521 -37.017   7.248
    4   2HB   ALA   1          2HB       ALA   1   3.376 -35.963   8.079
    5   3HB   ALA   1          3HB       ALA   1   5.105 -35.624   8.161
    6    H    GLU   2           H        GLU   2   1.967 -36.298   6.572
    7    HA   GLU   2           HA       GLU   2   1.933 -37.830   4.190
    8   1HB   GLU   2          2HB       GLU   2   0.586 -38.029   6.476
    9   2HB   GLU   2          1HB       GLU   2  -0.618 -37.131   5.562
   10   1HG   GLU   2          2HG       GLU   2  -1.171 -38.901   4.320
   11   2HG   GLU   2          1HG       GLU   2   0.505 -39.407   4.118
   12    H    VAL   3           H        VAL   3   0.027 -34.974   5.154
   13    HA   VAL   3           HA       VAL   3  -0.360 -34.390   2.290
   14    HB   VAL   3           HB       VAL   3  -2.437 -33.158   3.017
   15   1HG1  VAL   3          1HG1      VAL   3  -3.765 -35.025   2.751
   16   2HG1  VAL   3          2HG1      VAL   3  -2.714 -36.044   3.733
   17   3HG1  VAL   3          3HG1      VAL   3  -2.226 -35.587   2.101
   18   1HG2  VAL   3          1HG2      VAL   3  -3.429 -33.871   5.176
   19   2HG2  VAL   3          2HG2      VAL   3  -1.970 -32.898   5.366
   20   3HG2  VAL   3          3HG2      VAL   3  -1.899 -34.647   5.585
   21    H    LYS   4           H        LYS   4   0.036 -32.994   5.515
   22    HA   LYS   4           HA       LYS   4   1.375 -31.209   6.123
   23   1HB   LYS   4          2HB       LYS   4   2.251 -31.417   3.605
   24   2HB   LYS   4          1HB       LYS   4   1.337 -29.925   3.444
   25   1HG   LYS   4          2HG       LYS   4   2.707 -29.351   5.667
   26   2HG   LYS   4          1HG       LYS   4   3.840 -30.468   4.905
   27   1HD   LYS   4          2HD       LYS   4   3.119 -28.889   2.802
   28   2HD   LYS   4          1HD       LYS   4   3.074 -27.742   4.142
   29   1HE   LYS   4          2HE       LYS   4   5.350 -28.305   4.742
   30   2HE   LYS   4          1HE       LYS   4   5.401 -29.545   3.490
   31   1HZ   LYS   4          1HZ       LYS   4   4.832 -27.560   1.945
   32   2HZ   LYS   4          2HZ       LYS   4   6.427 -27.789   2.460
   33   3HZ   LYS   4          3HZ       LYS   4   5.459 -26.621   3.206
   34    H    GLN   5           H        GLN   5  -1.157 -30.579   3.716
   35    HA   GLN   5           HA       GLN   5  -2.746 -29.125   5.549
   36   1HB   GLN   5          2HB       GLN   5  -0.855 -27.603   3.851
   37   2HB   GLN   5          1HB       GLN   5  -2.500 -26.984   3.923
   38   1HG   GLN   5          2HG       GLN   5  -2.073 -27.365   6.533
   39   2HG   GLN   5          1HG       GLN   5  -0.413 -27.084   6.008
   40   1HE2  GLN   5          1HE2      GLN   5  -2.017 -25.424   7.714
   41   2HE2  GLN   5          2HE2      GLN   5  -2.167 -23.890   6.932
   42    H    GLU   6           H        GLU   6  -2.936 -31.237   3.528
   43    HA   GLU   6           HA       GLU   6  -4.221 -31.923   1.762
   44   1HB   GLU   6          2HB       GLU   6  -6.222 -29.949   2.851
   45   2HB   GLU   6          1HB       GLU   6  -6.545 -31.465   2.023
   46   1HG   GLU   6          2HG       GLU   6  -5.096 -31.391   4.643
   47   2HG   GLU   6          1HG       GLU   6  -6.857 -31.383   4.555
   48    H    SER   7           H        SER   7  -2.679 -30.717   0.347
   49    HA   SER   7           HA       SER   7  -2.496 -29.742  -1.715
   50   1HB   SER   7          2HB       SER   7  -4.866 -29.923  -2.171
   51   2HB   SER   7          1HB       SER   7  -5.205 -28.559  -1.112
   52    HG   SER   7           HG       SER   7  -3.520 -28.335  -3.367
   53    H    LEU   8           H        LEU   8  -0.713 -28.644  -0.995
   54    HA   LEU   8           HA       LEU   8  -0.767 -26.350   0.629
   55   1HB   LEU   8          2HB       LEU   8   1.396 -26.709  -1.387
   56   2HB   LEU   8          1HB       LEU   8   1.500 -26.172   0.277
   57    HG   LEU   8           HG       LEU   8   1.175 -29.002  -0.712
   58   1HD1  LEU   8          1HD1      LEU   8   3.358 -27.440   0.603
   59   2HD1  LEU   8          2HD1      LEU   8   3.427 -28.486  -0.816
   60   3HD1  LEU   8          3HD1      LEU   8   3.267 -29.192   0.793
   61   1HD2  LEU   8          1HD2      LEU   8   0.916 -29.751   1.502
   62   2HD2  LEU   8          2HD2      LEU   8  -0.227 -28.420   1.330
   63   3HD2  LEU   8          3HD2      LEU   8   1.301 -28.165   2.171
   64    H    SER   9           H        SER   9  -1.704 -26.727  -2.610
   65    HA   SER   9           HA       SER   9  -0.914 -24.302  -3.750
   66   1HB   SER   9          2HB       SER   9  -3.619 -25.272  -4.463
   67   2HB   SER   9          1HB       SER   9  -2.244 -24.898  -5.501
   68    HG   SER   9           HG       SER   9  -2.947 -27.208  -5.218
   69    H    GLY  10           H        GLY  10  -3.256 -25.001  -1.322
   70   1HA   GLY  10          2HA       GLY  10  -4.799 -22.602  -1.666
   71   2HA   GLY  10          1HA       GLY  10  -4.894 -23.721  -0.316
   72    H    ILE  11           H        ILE  11  -2.000 -23.544   0.254
   73    HA   ILE  11           HA       ILE  11  -2.138 -21.092   1.803
   74    HB   ILE  11           HB       ILE  11  -1.337 -22.785   3.160
   75   1HG1  ILE  11          2HG1      ILE  11   0.236 -20.727   2.937
   76   2HG1  ILE  11          1HG1      ILE  11   0.792 -22.133   3.840
   77   1HG2  ILE  11          1HG2      ILE  11  -1.062 -24.538   1.563
   78   2HG2  ILE  11          2HG2      ILE  11   0.430 -24.404   2.492
   79   3HG2  ILE  11          3HG2      ILE  11   0.348 -23.744   0.860
   80   1HD1  ILE  11          1HD1      ILE  11   2.137 -20.855   1.811
   81   2HD1  ILE  11          2HD1      ILE  11   1.477 -22.289   1.027
   82   3HD1  ILE  11          3HD1      ILE  11   2.497 -22.456   2.455
   83    H    THR  12           H        THR  12  -0.185 -22.514  -0.765
   84    HA   THR  12           HA       THR  12   1.707 -20.423  -0.945
   85    HB   THR  12           HB       THR  12   0.783 -22.353  -3.084
   86    HG1  THR  12           1HG      THR  12   1.849 -23.762  -1.987
   87   1HG2  THR  12          1HG2      THR  12   3.547 -21.330  -3.041
   88   2HG2  THR  12          2HG2      THR  12   2.295 -20.220  -3.598
   89   3HG2  THR  12          3HG2      THR  12   2.516 -21.775  -4.400
   90    H    GLU  13           H        GLU  13  -1.151 -21.163  -2.941
   91    HA   GLU  13           HA       GLU  13  -1.030 -18.669  -4.334
   92   1HB   GLU  13          2HB       GLU  13  -2.001 -20.764  -5.286
   93   2HB   GLU  13          1HB       GLU  13  -3.339 -20.611  -4.157
   94   1HG   GLU  13          2HG       GLU  13  -3.335 -18.160  -5.342
   95   2HG   GLU  13          1HG       GLU  13  -2.818 -19.204  -6.665
   96    H    GLY  14           H        GLY  14  -2.614 -19.830  -1.455
   97   1HA   GLY  14          2HA       GLY  14  -4.573 -17.774  -1.267
   98   2HA   GLY  14          1HA       GLY  14  -4.031 -18.808   0.047
   99    H    GLU  15           H        GLU  15  -1.570 -18.245   0.594
  100    HA   GLU  15           HA       GLU  15  -1.628 -15.695   1.791
  101   1HB   GLU  15          2HB       GLU  15  -0.321 -17.552   2.712
  102   2HB   GLU  15          1HB       GLU  15   0.722 -17.535   1.296
  103   1HG   GLU  15          2HG       GLU  15   0.922 -14.962   2.143
  104   2HG   GLU  15          1HG       GLU  15   0.728 -15.823   3.670
  105    H    ALA  16           H        ALA  16  -0.003 -16.940  -1.090
  106    HA   ALA  16           HA       ALA  16   1.490 -14.667  -1.743
  107   1HB   ALA  16          1HB       ALA  16   1.570 -15.587  -4.008
  108   2HB   ALA  16          2HB       ALA  16   0.273 -16.711  -3.600
  109   3HB   ALA  16          3HB       ALA  16   1.839 -16.841  -2.799
  110    H    LYS  17           H        LYS  17  -1.843 -15.544  -2.451
  111    HA   LYS  17           HA       LYS  17  -2.375 -13.402  -4.233
  112   1HB   LYS  17          2HB       LYS  17  -3.744 -15.439  -4.161
  113   2HB   LYS  17          1HB       LYS  17  -4.273 -15.033  -2.534
  114   1HG   LYS  17          2HG       LYS  17  -5.046 -12.804  -3.735
  115   2HG   LYS  17          1HG       LYS  17  -5.078 -13.872  -5.140
  116   1HD   LYS  17          2HD       LYS  17  -6.753 -15.191  -4.267
  117   2HD   LYS  17          1HD       LYS  17  -6.359 -14.771  -2.600
  118   1HE   LYS  17          2HE       LYS  17  -7.086 -12.358  -3.476
  119   2HE   LYS  17          1HE       LYS  17  -8.045 -13.346  -4.577
  120   1HZ   LYS  17          1HZ       LYS  17  -9.502 -13.280  -2.883
  121   2HZ   LYS  17          2HZ       LYS  17  -8.324 -12.958  -1.714
  122   3HZ   LYS  17          3HZ       LYS  17  -8.563 -14.541  -2.259
  123    H    GLU  18           H        GLU  18  -3.051 -13.878  -0.775
  124    HA   GLU  18           HA       GLU  18  -4.342 -11.440  -0.319
  125   1HB   GLU  18          2HB       GLU  18  -2.889 -13.402   1.406
  126   2HB   GLU  18          1HB       GLU  18  -3.347 -11.848   2.087
  127   1HG   GLU  18          2HG       GLU  18  -5.664 -12.269   1.643
  128   2HG   GLU  18          1HG       GLU  18  -5.269 -13.747   0.765
  129    H    PHE  19           H        PHE  19  -0.953 -12.286   0.413
  130    HA   PHE  19           HA       PHE  19  -0.126  -9.730   1.151
  131   1HB   PHE  19          2HB       PHE  19   1.056 -12.124   1.207
  132   2HB   PHE  19          1HB       PHE  19   1.823 -11.491  -0.246
  133    HD1  PHE  19           1HD      PHE  19   2.736  -9.007   0.028
  134    HD2  PHE  19           2HD      PHE  19   2.100 -11.759   3.212
  135    HE1  PHE  19           1HE      PHE  19   4.343  -7.765   1.417
  136    HE2  PHE  19           2HE      PHE  19   3.706 -10.521   4.607
  137    HZ   PHE  19           HZ       PHE  19   4.830  -8.522   3.709
  138    H    HIS  20           H        HIS  20  -0.520 -11.163  -2.007
  139    HA   HIS  20           HA       HIS  20   1.012  -9.250  -3.446
  140   1HB   HIS  20          2HB       HIS  20  -0.950 -11.379  -4.144
  141   2HB   HIS  20          1HB       HIS  20  -0.635 -10.133  -5.346
  142    HD1  HIS  20           1HD      HIS  20   0.185 -13.171  -5.629
  143    HD2  HIS  20           2HD      HIS  20   2.694 -10.064  -4.483
  144    HE1  HIS  20           1HE      HIS  20   2.512 -13.953  -6.170
  145    HE2  HIS  20           2HE      HIS  20   4.020 -12.094  -5.384
  146    H    LYS  21           H        LYS  21  -2.528  -9.702  -3.363
  147    HA   LYS  21           HA       LYS  21  -3.163  -7.273  -4.576
  148   1HB   LYS  21          2HB       LYS  21  -5.420  -7.603  -3.417
  149   2HB   LYS  21          1HB       LYS  21  -4.879  -8.866  -4.512
  150   1HG   LYS  21          2HG       LYS  21  -5.174 -10.346  -2.898
  151   2HG   LYS  21          1HG       LYS  21  -3.903  -9.554  -1.967
  152   1HD   LYS  21          2HD       LYS  21  -5.804  -9.605  -0.563
  153   2HD   LYS  21          1HD       LYS  21  -5.684  -7.947  -1.155
  154   1HE   LYS  21          2HE       LYS  21  -7.359  -8.474  -2.886
  155   2HE   LYS  21          1HE       LYS  21  -7.509 -10.100  -2.219
  156   1HZ   LYS  21          1HZ       LYS  21  -9.217  -9.058  -1.161
  157   2HZ   LYS  21          2HZ       LYS  21  -8.452  -7.551  -1.131
  158   3HZ   LYS  21          3HZ       LYS  21  -7.988  -8.756  -0.038
  159    H    ILE  22           H        ILE  22  -2.975  -8.071  -1.107
  160    HA   ILE  22           HA       ILE  22  -3.784  -5.580  -0.140
  161    HB   ILE  22           HB       ILE  22  -2.849  -6.223   1.969
  162   1HG1  ILE  22          2HG1      ILE  22  -1.574  -8.538   1.931
  163   2HG1  ILE  22          1HG1      ILE  22  -1.154  -8.026   0.301
  164   1HG2  ILE  22          1HG2      ILE  22  -3.603  -8.811   1.810
  165   2HG2  ILE  22          2HG2      ILE  22  -4.336  -8.156   0.346
  166   3HG2  ILE  22          3HG2      ILE  22  -4.722  -7.452   1.916
  167   1HD1  ILE  22          1HD1      ILE  22  -0.655  -5.811   1.913
  168   2HD1  ILE  22          2HD1      ILE  22   0.529  -6.898   1.186
  169   3HD1  ILE  22          3HD1      ILE  22  -0.059  -7.199   2.822
  170    H    PHE  23           H        PHE  23  -0.577  -6.789  -1.000
  171    HA   PHE  23           HA       PHE  23   0.900  -4.584  -0.059
  172   1HB   PHE  23          2HB       PHE  23   1.969  -6.707  -0.612
  173   2HB   PHE  23          1HB       PHE  23   1.527  -6.515  -2.305
  174    HD1  PHE  23           1HD      PHE  23   3.896  -5.687   0.280
  175    HD2  PHE  23           2HD      PHE  23   2.580  -4.696  -3.644
  176    HE1  PHE  23           1HE      PHE  23   6.017  -4.510  -0.131
  177    HE2  PHE  23           2HE      PHE  23   4.699  -3.519  -4.062
  178    HZ   PHE  23           HZ       PHE  23   6.421  -3.425  -2.304
  179    H    THR  24           H        THR  24   0.292  -5.396  -3.471
  180    HA   THR  24           HA       THR  24   0.985  -2.969  -4.564
  181    HB   THR  24           HB       THR  24  -0.011  -5.368  -5.493
  182    HG1  THR  24           1HG      THR  24   1.504  -4.087  -6.541
  183   1HG2  THR  24          1HG2      THR  24  -2.327  -4.594  -5.365
  184   2HG2  THR  24          2HG2      THR  24  -1.806  -4.866  -7.027
  185   3HG2  THR  24          3HG2      THR  24  -1.918  -3.223  -6.395
  186    H    SER  25           H        SER  25  -2.223  -4.008  -3.448
  187    HA   SER  25           HA       SER  25  -3.707  -1.798  -4.197
  188   1HB   SER  25          2HB       SER  25  -4.780  -3.774  -3.302
  189   2HB   SER  25          1HB       SER  25  -3.997  -3.540  -1.740
  190    HG   SER  25           HG       SER  25  -5.195  -1.632  -1.489
  191    H    SER  26           H        SER  26  -2.537  -2.321  -0.872
  192    HA   SER  26           HA       SER  26  -3.022   0.144   0.173
  193   1HB   SER  26          2HB       SER  26  -1.465  -0.359   1.892
  194   2HB   SER  26          1HB       SER  26  -2.096  -1.913   1.350
  195    HG   SER  26           HG       SER  26  -0.138  -2.448   0.848
  196    H    ILE  27           H        ILE  27  -0.089  -0.801  -1.623
  197    HA   ILE  27           HA       ILE  27   1.254   1.659  -1.296
  198    HB   ILE  27           HB       ILE  27   1.498  -0.351  -3.542
  199   1HG1  ILE  27          2HG1      ILE  27   2.004  -1.338  -1.383
  200   2HG1  ILE  27          1HG1      ILE  27   3.502  -1.101  -2.278
  201   1HG2  ILE  27          1HG2      ILE  27   3.905   0.801  -3.467
  202   2HG2  ILE  27          2HG2      ILE  27   2.925   2.173  -2.948
  203   3HG2  ILE  27          3HG2      ILE  27   2.597   1.390  -4.495
  204   1HD1  ILE  27          1HD1      ILE  27   3.870   0.981  -0.984
  205   2HD1  ILE  27          2HD1      ILE  27   3.858  -0.485  -0.004
  206   3HD1  ILE  27          3HD1      ILE  27   2.450   0.577  -0.020
  207    H    LEU  28           H        LEU  28  -0.970   0.470  -3.738
  208    HA   LEU  28           HA       LEU  28  -0.814   2.641  -5.525
  209   1HB   LEU  28          2HB       LEU  28  -2.583   0.334  -5.053
  210   2HB   LEU  28          1HB       LEU  28  -3.334   1.688  -5.875
  211    HG   LEU  28           HG       LEU  28  -1.863   1.544  -7.692
  212   1HD1  LEU  28          1HD1      LEU  28   0.290   1.207  -7.154
  213   2HD1  LEU  28          2HD1      LEU  28  -0.092  -0.499  -7.390
  214   3HD1  LEU  28          3HD1      LEU  28  -0.114   0.193  -5.769
  215   1HD2  LEU  28          1HD2      LEU  28  -2.860  -1.095  -6.713
  216   2HD2  LEU  28          2HD2      LEU  28  -1.953  -0.996  -8.223
  217   3HD2  LEU  28          3HD2      LEU  28  -3.456  -0.094  -8.037
  218    H    VAL  29           H        VAL  29  -3.395   1.816  -3.290
  219    HA   VAL  29           HA       VAL  29  -4.782   4.242  -3.497
  220    HB   VAL  29           HB       VAL  29  -5.767   3.404  -1.199
  221   1HG1  VAL  29          1HG1      VAL  29  -7.489   2.626  -2.421
  222   2HG1  VAL  29          2HG1      VAL  29  -6.465   1.548  -3.372
  223   3HG1  VAL  29          3HG1      VAL  29  -6.548   3.265  -3.769
  224   1HG2  VAL  29          1HG2      VAL  29  -5.072   0.706  -2.137
  225   2HG2  VAL  29          2HG2      VAL  29  -5.290   1.321  -0.498
  226   3HG2  VAL  29          3HG2      VAL  29  -3.773   1.598  -1.350
  227    H    PHE  30           H        PHE  30  -2.680   3.058  -0.849
  228    HA   PHE  30           HA       PHE  30  -2.924   5.343   0.763
  229   1HB   PHE  30          2HB       PHE  30  -1.929   2.986   1.276
  230   2HB   PHE  30          1HB       PHE  30  -0.415   3.702   0.732
  231    HD1  PHE  30           1HD      PHE  30  -2.748   3.378   3.431
  232    HD2  PHE  30           2HD      PHE  30   0.435   5.762   1.915
  233    HE1  PHE  30           1HE      PHE  30  -2.413   4.346   5.668
  234    HE2  PHE  30           2HE      PHE  30   0.776   6.734   4.150
  235    HZ   PHE  30           HZ       PHE  30  -0.649   6.026   6.029
  236    H    PHE  31           H        PHE  31  -0.734   4.597  -1.854
  237    HA   PHE  31           HA       PHE  31   0.713   7.105  -1.480
  238   1HB   PHE  31          2HB       PHE  31   1.708   4.704  -2.116
  239   2HB   PHE  31          1HB       PHE  31   1.357   5.280  -3.742
  240    HD1  PHE  31           1HD      PHE  31   3.607   5.427  -0.964
  241    HD2  PHE  31           2HD      PHE  31   2.362   7.478  -4.480
  242    HE1  PHE  31           1HE      PHE  31   5.707   6.710  -0.956
  243    HE2  PHE  31           2HE      PHE  31   4.460   8.762  -4.479
  244    HZ   PHE  31           HZ       PHE  31   6.136   8.379  -2.715
  245    H    GLY  32           H        GLY  32  -1.843   5.770  -3.244
  246   1HA   GLY  32          2HA       GLY  32  -1.653   7.497  -5.545
  247   2HA   GLY  32          1HA       GLY  32  -3.011   6.450  -5.117
  248    H    VAL  33           H        VAL  33  -3.217   7.291  -2.471
  249    HA   VAL  33           HA       VAL  33  -4.812   9.642  -2.768
  250    HB   VAL  33           HB       VAL  33  -5.303   9.300  -0.400
  251   1HG1  VAL  33          1HG1      VAL  33  -5.607   7.099  -2.346
  252   2HG1  VAL  33          2HG1      VAL  33  -6.834   8.129  -1.608
  253   3HG1  VAL  33          3HG1      VAL  33  -6.108   6.817  -0.679
  254   1HG2  VAL  33          1HG2      VAL  33  -3.438   8.523   0.667
  255   2HG2  VAL  33          2HG2      VAL  33  -3.117   7.319  -0.576
  256   3HG2  VAL  33          3HG2      VAL  33  -4.429   7.068   0.569
  257    H    ALA  34           H        ALA  34  -1.975   8.748  -0.777
  258    HA   ALA  34           HA       ALA  34  -1.425  11.195   0.344
  259   1HB   ALA  34          1HB       ALA  34  -0.082   9.441   1.093
  260   2HB   ALA  34          2HB       ALA  34   1.038  10.414   0.140
  261   3HB   ALA  34          3HB       ALA  34   0.346   8.943  -0.544
  262    H    ALA  35           H        ALA  35  -0.535   9.942  -2.828
  263    HA   ALA  35           HA       ALA  35   0.969  12.147  -3.721
  264   1HB   ALA  35          1HB       ALA  35  -0.578  10.051  -5.235
  265   2HB   ALA  35          2HB       ALA  35   1.139  10.033  -4.837
  266   3HB   ALA  35          3HB       ALA  35   0.514  11.213  -5.988
  267    H    PHE  36           H        PHE  36  -2.221  11.219  -5.002
  268    HA   PHE  36           HA       PHE  36  -2.788  13.814  -5.979
  269   1HB   PHE  36          2HB       PHE  36  -4.164  11.216  -5.848
  270   2HB   PHE  36          1HB       PHE  36  -5.238  12.610  -5.857
  271    HD1  PHE  36           1HD      PHE  36  -5.957  13.366  -7.895
  272    HD2  PHE  36           2HD      PHE  36  -2.195  11.394  -7.643
  273    HE1  PHE  36           1HE      PHE  36  -5.705  13.545 -10.336
  274    HE2  PHE  36           2HE      PHE  36  -1.935  11.570 -10.084
  275    HZ   PHE  36           HZ       PHE  36  -3.691  12.647 -11.433
  276    H    ALA  37           H        ALA  37  -4.189  11.997  -3.249
  277    HA   ALA  37           HA       ALA  37  -5.951  13.848  -2.271
  278   1HB   ALA  37          1HB       ALA  37  -4.279  12.343  -0.308
  279   2HB   ALA  37          2HB       ALA  37  -5.302  11.450  -1.434
  280   3HB   ALA  37          3HB       ALA  37  -6.021  12.617  -0.327
  281    H    HIS  38           H        HIS  38  -2.556  13.542  -1.085
  282    HA   HIS  38           HA       HIS  38  -2.687  15.911   0.449
  283   1HB   HIS  38          2HB       HIS  38  -0.214  14.648  -0.763
  284   2HB   HIS  38          1HB       HIS  38  -0.254  15.768   0.587
  285    HD1  HIS  38           1HD      HIS  38  -2.941  13.947   1.566
  286    HD2  HIS  38           2HD      HIS  38   1.062  12.900   1.182
  287    HE1  HIS  38           1HE      HIS  38  -2.619  11.955   3.068
  288    HE2  HIS  38           2HE      HIS  38  -0.209  11.289   2.755
  289    H    LEU  39           H        LEU  39  -1.979  15.308  -2.916
  290    HA   LEU  39           HA       LEU  39  -0.875  17.858  -3.488
  291   1HB   LEU  39          2HB       LEU  39  -2.002  15.609  -5.077
  292   2HB   LEU  39          1HB       LEU  39  -1.910  17.175  -5.856
  293    HG   LEU  39           HG       LEU  39   0.515  16.023  -4.525
  294   1HD1  LEU  39          1HD1      LEU  39   0.998  14.583  -6.196
  295   2HD1  LEU  39          2HD1      LEU  39   0.170  15.547  -7.418
  296   3HD1  LEU  39          3HD1      LEU  39  -0.758  14.512  -6.334
  297   1HD2  LEU  39          1HD2      LEU  39   0.792  17.444  -7.044
  298   2HD2  LEU  39          2HD2      LEU  39   1.574  17.730  -5.489
  299   3HD2  LEU  39          3HD2      LEU  39  -0.022  18.405  -5.810
  300    H    LEU  40           H        LEU  40  -4.005  16.801  -2.707
  301    HA   LEU  40           HA       LEU  40  -5.112  19.378  -3.576
  302   1HB   LEU  40          2HB       LEU  40  -7.246  18.305  -4.031
  303   2HB   LEU  40          1HB       LEU  40  -5.973  17.616  -5.021
  304    HG   LEU  40           HG       LEU  40  -5.862  15.783  -3.182
  305   1HD1  LEU  40          1HD1      LEU  40  -8.289  17.299  -2.458
  306   2HD1  LEU  40          2HD1      LEU  40  -7.209  16.333  -1.454
  307   3HD1  LEU  40          3HD1      LEU  40  -8.427  15.542  -2.455
  308   1HD2  LEU  40          1HD2      LEU  40  -7.191  14.430  -4.494
  309   2HD2  LEU  40          2HD2      LEU  40  -6.807  15.743  -5.608
  310   3HD2  LEU  40          3HD2      LEU  40  -8.373  15.704  -4.797
  311    H    VAL  41           H        VAL  41  -4.084  18.002  -0.927
  312    HA   VAL  41           HA       VAL  41  -5.901  19.389   0.753
  313    HB   VAL  41           HB       VAL  41  -7.155  17.276   0.328
  314   1HG1  VAL  41          1HG1      VAL  41  -5.795  15.552   2.116
  315   2HG1  VAL  41          2HG1      VAL  41  -4.623  16.097   0.917
  316   3HG1  VAL  41          3HG1      VAL  41  -6.115  15.312   0.398
  317   1HG2  VAL  41          1HG2      VAL  41  -6.911  18.733   2.567
  318   2HG2  VAL  41          2HG2      VAL  41  -6.474  17.139   3.180
  319   3HG2  VAL  41          3HG2      VAL  41  -8.031  17.384   2.390
  320    H    TRP  42           H        TRP  42  -3.013  19.310   0.253
  321    HA   TRP  42           HA       TRP  42  -2.178  18.748   3.017
  322   1HB   TRP  42          2HB       TRP  42  -1.295  16.988   1.546
  323   2HB   TRP  42          1HB       TRP  42  -0.502  18.208   0.559
  324    HD1  TRP  42           HD       TRP  42  -0.496  18.010   4.424
  325    HE1  TRP  42           1HE      TRP  42   1.949  17.844   5.208
  326    HE3  TRP  42           3HE      TRP  42   1.802  17.723  -0.135
  327    HZ2  TRP  42           2HZ      TRP  42   4.513  17.623   4.048
  328    HZ3  TRP  42           3HZ      TRP  42   4.254  17.537  -0.210
  329    HH2  TRP  42           HH       TRP  42   5.581  17.488   1.840
  330    H    ILE  43           H        ILE  43  -0.173  20.017   0.391
  331    HA   ILE  43           HA       ILE  43  -0.499  22.743   1.226
  332    HB   ILE  43           HB       ILE  43   1.032  21.696   2.963
  333   1HG1  ILE  43          2HG1      ILE  43   2.786  23.663   2.525
  334   2HG1  ILE  43          1HG1      ILE  43   1.557  24.146   1.360
  335   1HG2  ILE  43          1HG2      ILE  43   2.299  20.401   1.144
  336   2HG2  ILE  43          2HG2      ILE  43   3.229  21.119   2.459
  337   3HG2  ILE  43          3HG2      ILE  43   3.176  21.909   0.882
  338   1HD1  ILE  43          1HD1      ILE  43   0.083  23.617   3.606
  339   2HD1  ILE  43          2HD1      ILE  43   0.611  25.211   3.064
  340   3HD1  ILE  43          3HD1      ILE  43   1.560  24.325   4.259
  341    H    TRP  44           H        TRP  44  -0.420  20.924  -1.220
  342    HA   TRP  44           HA       TRP  44   1.812  21.775  -2.778
  343   1HB   TRP  44          2HB       TRP  44   0.357  19.690  -3.132
  344   2HB   TRP  44          1HB       TRP  44  -0.801  20.775  -3.896
  345    HD1  TRP  44           HD       TRP  44  -0.477  21.158  -6.412
  346    HE1  TRP  44           1HE      TRP  44   1.406  20.712  -8.110
  347    HE3  TRP  44           3HE      TRP  44   3.170  19.594  -3.188
  348    HZ2  TRP  44           2HZ      TRP  44   4.083  19.817  -8.085
  349    HZ3  TRP  44           3HZ      TRP  44   5.364  18.961  -4.107
  350    HH2  TRP  44           HH       TRP  44   5.809  19.071  -6.504
  351    H    ARG  45           H        ARG  45  -1.641  22.632  -2.825
  352    HA   ARG  45           HA       ARG  45  -1.286  25.367  -3.139
  353   1HB   ARG  45          2HB       ARG  45  -0.545  24.103  -5.474
  354   2HB   ARG  45          1HB       ARG  45  -2.214  24.551  -5.794
  355   1HG   ARG  45          2HG       ARG  45  -1.416  26.874  -4.844
  356   2HG   ARG  45          1HG       ARG  45   0.164  26.273  -5.350
  357   1HD   ARG  45          2HD       ARG  45  -2.261  26.368  -7.136
  358   2HD   ARG  45          1HD       ARG  45  -1.031  27.629  -7.075
  359    HE   ARG  45           HE       ARG  45   0.076  25.040  -7.567
  360   1HH1  ARG  45          1HH1      ARG  45  -1.497  27.766  -9.074
  361   2HH1  ARG  45          2HH1      ARG  45  -0.827  27.447 -10.638
  362   1HH2  ARG  45          1HH2      ARG  45   0.959  24.619  -9.623
  363   2HH2  ARG  45          2HH2      ARG  45   0.566  25.660 -10.951
  364    HA   PRO  46           HA       PRO  46  -5.835  24.095  -4.407
  365   1HB   PRO  46          2HB       PRO  46  -5.768  21.195  -3.835
  366   2HB   PRO  46          1HB       PRO  46  -6.508  22.059  -5.185
  367   1HG   PRO  46          2HG       PRO  46  -4.284  20.612  -5.518
  368   2HG   PRO  46          1HG       PRO  46  -4.538  22.134  -6.393
  369   1HD   PRO  46          2HD       PRO  46  -2.841  21.590  -3.988
  370   2HD   PRO  46          1HD       PRO  46  -2.502  22.614  -5.398
  371    H    TRP  47           H        TRP  47  -4.858  21.512  -2.133
  372    HA   TRP  47           HA       TRP  47  -5.348  21.161   0.061
  373   1HB   TRP  47          2HB       TRP  47  -4.530  23.781  -0.078
  374   2HB   TRP  47          1HB       TRP  47  -6.099  23.928   0.704
  375    HD1  TRP  47           HD       TRP  47  -5.250  20.793   2.015
  376    HE1  TRP  47           1HE      TRP  47  -3.939  20.920   4.226
  377    HE3  TRP  47           3HE      TRP  47  -3.724  25.666   1.774
  378    HZ2  TRP  47           2HZ      TRP  47  -2.455  22.834   5.676
  379    HZ3  TRP  47           3HZ      TRP  47  -2.362  26.568   3.615
  380    HH2  TRP  47           HH       TRP  47  -1.742  25.180   5.524
  381    H    VAL  48           H        VAL  48  -7.141  20.681   1.346
  382    HA   VAL  48           HA       VAL  48  -9.646  20.794   0.006
  383    HB   VAL  48           HB       VAL  48  -8.918  18.924   1.510
  384   1HG1  VAL  48          1HG1      VAL  48  -9.522  20.971   3.623
  385   2HG1  VAL  48          2HG1      VAL  48  -8.083  19.971   3.438
  386   3HG1  VAL  48          3HG1      VAL  48  -9.606  19.240   3.940
  387   1HG2  VAL  48          1HG2      VAL  48 -11.586  20.248   1.649
  388   2HG2  VAL  48          2HG2      VAL  48 -11.282  18.801   2.611
  389   3HG2  VAL  48          3HG2      VAL  48 -11.113  18.745   0.856
  390    HA   PRO  49           HA       PRO  49 -10.815  24.032   3.329
  391   1HB   PRO  49          2HB       PRO  49  -8.900  25.485   4.497
  392   2HB   PRO  49          1HB       PRO  49  -9.324  23.876   5.095
  393   1HG   PRO  49          2HG       PRO  49  -7.015  24.721   3.397
  394   2HG   PRO  49          1HG       PRO  49  -7.056  23.562   4.737
  395   1HD   PRO  49          2HD       PRO  49  -7.120  22.885   2.062
  396   2HD   PRO  49          1HD       PRO  49  -7.699  21.852   3.377
  397    H    GLY  50           H        GLY  50 -11.380  24.795   1.141
  398   1HA   GLY  50          2HA       GLY  50 -10.649  27.525   0.796
  399   2HA   GLY  50          1HA       GLY  50  -9.891  26.519  -0.428
  400    HA   PRO  51           HA       PRO  51 -14.591  27.713  -1.169
  401   1HB   PRO  51          2HB       PRO  51 -13.303  29.595  -3.087
  402   2HB   PRO  51          1HB       PRO  51 -14.761  29.804  -2.113
  403   1HG   PRO  51          2HG       PRO  51 -12.490  31.016  -1.434
  404   2HG   PRO  51          1HG       PRO  51 -13.565  30.337  -0.198
  405   1HD   PRO  51          2HD       PRO  51 -10.982  29.278  -1.258
  406   2HD   PRO  51          1HD       PRO  51 -11.640  29.211   0.389
  407    H    ASN  52           H        ASN  52 -12.110  28.122  -3.705
  408    HA   ASN  52           HA       ASN  52 -13.563  26.206  -5.369
  409   1HB   ASN  52          2HB       ASN  52 -11.536  28.344  -5.912
  410   2HB   ASN  52          1HB       ASN  52 -11.736  27.030  -7.068
  411   1HD2  ASN  52          1HD2      ASN  52 -12.587  30.074  -6.528
  412   2HD2  ASN  52          2HD2      ASN  52 -14.143  30.115  -7.276
  413    H    GLY  53           H        GLY  53 -11.827  25.023  -6.926
  414   1HA   GLY  53          2HA       GLY  53  -9.370  24.170  -6.065
  415   2HA   GLY  53          1HA       GLY  53 -10.509  23.158  -5.191
  416    H    TYR  54           H        TYR  54 -12.461  23.107  -7.347
  417    HA   TYR  54           HA       TYR  54 -11.287  20.957  -8.870
  418   1HB   TYR  54          2HB       TYR  54 -14.051  22.112  -9.231
  419   2HB   TYR  54          1HB       TYR  54 -13.493  20.491  -9.632
  420    HD1  TYR  54           1HD      TYR  54 -14.737  22.676  -7.006
  421    HD2  TYR  54           2HD      TYR  54 -13.100  18.839  -7.841
  422    HE1  TYR  54           1HE      TYR  54 -15.498  21.879  -4.808
  423    HE2  TYR  54           2HE      TYR  54 -13.857  18.031  -5.645
  424    HH   TYR  54           HH       TYR  54 -16.021  19.810  -3.678
  425    H    SER  55           H        SER  55 -11.799  20.856 -11.278
  426    HA   SER  55           HA       SER  55 -11.394  21.625 -13.380
  427   1HB   SER  55          2HB       SER  55 -13.395  23.129 -12.557
  428   2HB   SER  55          1HB       SER  55 -12.178  24.405 -12.586
  429    HG   SER  55           HG       SER  55 -13.489  23.919 -14.584
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -5.386 -35.031  -5.497
    2    HA   ALA   1           HA       ALA   1  -4.729 -33.244  -7.602
    3   1HB   ALA   1          1HB       ALA   1  -6.080 -33.702  -9.348
    4   2HB   ALA   1          2HB       ALA   1  -7.366 -34.344  -8.325
    5   3HB   ALA   1          3HB       ALA   1  -5.972 -35.348  -8.723
    6    H    GLU   2           H        GLU   2  -5.399 -33.239  -4.815
    7    HA   GLU   2           HA       GLU   2  -7.013 -30.950  -4.692
    8   1HB   GLU   2          2HB       GLU   2  -8.621 -33.079  -5.073
    9   2HB   GLU   2          1HB       GLU   2  -8.503 -33.114  -3.320
   10   1HG   GLU   2          2HG       GLU   2  -9.430 -30.953  -3.118
   11   2HG   GLU   2          1HG       GLU   2  -9.259 -30.641  -4.845
   12    H    VAL   3           H        VAL   3  -5.904 -33.833  -2.981
   13    HA   VAL   3           HA       VAL   3  -5.562 -32.246  -0.535
   14    HB   VAL   3           HB       VAL   3  -4.875 -35.107  -0.411
   15   1HG1  VAL   3          1HG1      VAL   3  -5.389 -33.154   1.388
   16   2HG1  VAL   3          2HG1      VAL   3  -5.514 -34.879   1.733
   17   3HG1  VAL   3          3HG1      VAL   3  -6.959 -33.956   1.316
   18   1HG2  VAL   3          1HG2      VAL   3  -7.432 -35.596  -0.218
   19   2HG2  VAL   3          2HG2      VAL   3  -6.649 -35.611  -1.797
   20   3HG2  VAL   3          3HG2      VAL   3  -7.584 -34.204  -1.290
   21    H    LYS   4           H        LYS   4  -3.542 -33.508   0.728
   22    HA   LYS   4           HA       LYS   4  -1.287 -34.021   0.748
   23   1HB   LYS   4          2HB       LYS   4  -1.672 -34.513  -1.834
   24   2HB   LYS   4          1HB       LYS   4  -0.807 -32.992  -2.011
   25   1HG   LYS   4          2HG       LYS   4   1.158 -33.863  -1.293
   26   2HG   LYS   4          1HG       LYS   4   0.380 -35.011  -0.202
   27   1HD   LYS   4          2HD       LYS   4  -0.429 -36.165  -2.369
   28   2HD   LYS   4          1HD       LYS   4   0.840 -35.226  -3.157
   29   1HE   LYS   4          2HE       LYS   4   1.205 -37.167  -0.877
   30   2HE   LYS   4          1HE       LYS   4   1.650 -37.442  -2.560
   31   1HZ   LYS   4          1HZ       LYS   4   3.221 -35.601  -2.395
   32   2HZ   LYS   4          2HZ       LYS   4   3.569 -36.806  -1.261
   33   3HZ   LYS   4          3HZ       LYS   4   2.810 -35.376  -0.769
   34    H    GLN   5           H        GLN   5  -2.009 -31.164  -1.262
   35    HA   GLN   5           HA       GLN   5   0.116 -29.610  -0.232
   36   1HB   GLN   5          2HB       GLN   5  -1.934 -29.315  -2.181
   37   2HB   GLN   5          1HB       GLN   5  -2.011 -27.920  -1.114
   38   1HG   GLN   5          2HG       GLN   5   0.169 -27.258  -1.628
   39   2HG   GLN   5          1HG       GLN   5   0.577 -28.830  -2.314
   40   1HE2  GLN   5          1HE2      GLN   5  -0.787 -25.737  -2.883
   41   2HE2  GLN   5          2HE2      GLN   5  -1.093 -25.934  -4.572
   42    H    GLU   6           H        GLU   6  -3.120 -30.236   0.868
   43    HA   GLU   6           HA       GLU   6  -4.180 -29.744   2.820
   44   1HB   GLU   6          2HB       GLU   6  -1.632 -28.414   3.736
   45   2HB   GLU   6          1HB       GLU   6  -2.927 -29.053   4.738
   46   1HG   GLU   6          2HG       GLU   6  -1.681 -31.005   2.937
   47   2HG   GLU   6          1HG       GLU   6  -0.620 -30.350   4.183
   48    H    SER   7           H        SER   7  -5.641 -28.339   1.945
   49    HA   SER   7           HA       SER   7  -6.812 -26.359   2.192
   50   1HB   SER   7          2HB       SER   7  -5.932 -24.445   3.127
   51   2HB   SER   7          1HB       SER   7  -4.821 -25.649   3.779
   52    HG   SER   7           HG       SER   7  -4.411 -23.971   1.533
   53    H    LEU   8           H        LEU   8  -4.018 -26.821   0.207
   54    HA   LEU   8           HA       LEU   8  -3.372 -25.900  -1.823
   55   1HB   LEU   8          2HB       LEU   8  -6.103 -27.058  -2.158
   56   2HB   LEU   8          1HB       LEU   8  -5.183 -26.462  -3.525
   57    HG   LEU   8           HG       LEU   8  -3.346 -28.070  -2.844
   58   1HD1  LEU   8          1HD1      LEU   8  -5.518 -28.926  -0.964
   59   2HD1  LEU   8          2HD1      LEU   8  -3.814 -28.617  -0.627
   60   3HD1  LEU   8          3HD1      LEU   8  -4.289 -30.057  -1.528
   61   1HD2  LEU   8          1HD2      LEU   8  -4.615 -30.068  -3.739
   62   2HD2  LEU   8          2HD2      LEU   8  -4.636 -28.618  -4.743
   63   3HD2  LEU   8          3HD2      LEU   8  -6.043 -29.032  -3.762
   64    H    SER   9           H        SER   9  -6.831 -25.164  -2.189
   65    HA   SER   9           HA       SER   9  -6.456 -22.785  -3.562
   66   1HB   SER   9          2HB       SER   9  -8.625 -23.889  -3.524
   67   2HB   SER   9          1HB       SER   9  -8.774 -23.606  -1.790
   68    HG   SER   9           HG       SER   9  -9.447 -21.992  -3.813
   69    H    GLY  10           H        GLY  10  -6.453 -23.458  -0.150
   70   1HA   GLY  10          2HA       GLY  10  -6.503 -20.693   0.657
   71   2HA   GLY  10          1HA       GLY  10  -6.192 -22.084   1.692
   72    H    ILE  11           H        ILE  11  -4.118 -23.018  -0.326
   73    HA   ILE  11           HA       ILE  11  -1.886 -21.713   0.928
   74    HB   ILE  11           HB       ILE  11  -1.792 -23.551  -1.465
   75   1HG1  ILE  11          2HG1      ILE  11  -1.823 -24.238   1.483
   76   2HG1  ILE  11          1HG1      ILE  11  -3.063 -24.642   0.302
   77   1HG2  ILE  11          1HG2      ILE  11   0.309 -23.487   0.623
   78   2HG2  ILE  11          2HG2      ILE  11   0.214 -22.111  -0.474
   79   3HG2  ILE  11          3HG2      ILE  11   0.444 -23.736  -1.118
   80   1HD1  ILE  11          1HD1      ILE  11  -1.030 -25.834  -0.887
   81   2HD1  ILE  11          2HD1      ILE  11  -1.959 -26.620   0.390
   82   3HD1  ILE  11          3HD1      ILE  11  -0.408 -25.866   0.763
   83    H    THR  12           H        THR  12  -2.873 -22.009  -2.487
   84    HA   THR  12           HA       THR  12  -1.089 -20.051  -3.447
   85    HB   THR  12           HB       THR  12  -2.572 -20.040  -5.471
   86    HG1  THR  12           1HG      THR  12  -4.059 -22.001  -4.075
   87   1HG2  THR  12          1HG2      THR  12  -1.093 -21.672  -5.893
   88   2HG2  THR  12          2HG2      THR  12  -2.494 -22.715  -5.649
   89   3HG2  THR  12          3HG2      THR  12  -1.347 -22.456  -4.334
   90    H    GLU  13           H        GLU  13  -4.574 -19.871  -2.724
   91    HA   GLU  13           HA       GLU  13  -4.842 -17.125  -3.303
   92   1HB   GLU  13          2HB       GLU  13  -6.672 -18.920  -2.984
   93   2HB   GLU  13          1HB       GLU  13  -6.525 -18.567  -1.268
   94   1HG   GLU  13          2HG       GLU  13  -8.283 -17.226  -1.946
   95   2HG   GLU  13          1HG       GLU  13  -6.909 -16.122  -1.944
   96    H    GLY  14           H        GLY  14  -3.818 -18.864  -0.450
   97   1HA   GLY  14          2HA       GLY  14  -4.061 -16.764   1.423
   98   2HA   GLY  14          1HA       GLY  14  -2.993 -18.153   1.573
   99    H    GLU  15           H        GLU  15  -1.076 -17.993  -0.094
  100    HA   GLU  15           HA       GLU  15   0.508 -15.809   0.711
  101   1HB   GLU  15          2HB       GLU  15   0.873 -17.784  -1.549
  102   2HB   GLU  15          1HB       GLU  15   2.098 -16.625  -1.052
  103   1HG   GLU  15          2HG       GLU  15   1.027 -18.290   1.111
  104   2HG   GLU  15          1HG       GLU  15   1.910 -19.165  -0.139
  105    H    ALA  16           H        ALA  16  -1.217 -16.515  -2.292
  106    HA   ALA  16           HA       ALA  16  -0.372 -14.310  -3.789
  107   1HB   ALA  16          1HB       ALA  16  -1.625 -16.288  -4.658
  108   2HB   ALA  16          2HB       ALA  16  -2.249 -14.735  -5.215
  109   3HB   ALA  16          3HB       ALA  16  -3.085 -15.615  -3.935
  110    H    LYS  17           H        LYS  17  -3.016 -14.680  -1.481
  111    HA   LYS  17           HA       LYS  17  -4.180 -12.135  -1.902
  112   1HB   LYS  17          2HB       LYS  17  -5.415 -13.929  -0.812
  113   2HB   LYS  17          1HB       LYS  17  -4.257 -13.957   0.511
  114   1HG   LYS  17          2HG       LYS  17  -4.929 -11.547   0.949
  115   2HG   LYS  17          1HG       LYS  17  -6.274 -11.836  -0.154
  116   1HD   LYS  17          2HD       LYS  17  -7.316 -13.295   1.279
  117   2HD   LYS  17          1HD       LYS  17  -5.807 -13.773   2.059
  118   1HE   LYS  17          2HE       LYS  17  -5.902 -11.165   2.744
  119   2HE   LYS  17          1HE       LYS  17  -7.625 -11.527   2.650
  120   1HZ   LYS  17          1HZ       LYS  17  -5.603 -12.899   4.333
  121   2HZ   LYS  17          2HZ       LYS  17  -7.198 -13.434   4.151
  122   3HZ   LYS  17          3HZ       LYS  17  -6.886 -11.931   4.864
  123    H    GLU  18           H        GLU  18  -1.587 -13.300   0.153
  124    HA   GLU  18           HA       GLU  18  -1.362 -11.006   1.791
  125   1HB   GLU  18          2HB       GLU  18  -0.295 -13.415   1.979
  126   2HB   GLU  18          1HB       GLU  18   1.035 -12.657   1.114
  127   1HG   GLU  18          2HG       GLU  18   0.653 -10.829   3.036
  128   2HG   GLU  18          1HG       GLU  18   0.110 -12.276   3.885
  129    H    PHE  19           H        PHE  19   0.848 -12.055  -0.796
  130    HA   PHE  19           HA       PHE  19   2.221  -9.654  -1.043
  131   1HB   PHE  19          2HB       PHE  19   2.687 -12.028  -2.043
  132   2HB   PHE  19          1HB       PHE  19   1.793 -11.410  -3.427
  133    HD1  PHE  19           1HD      PHE  19   4.641 -10.542  -1.193
  134    HD2  PHE  19           2HD      PHE  19   2.910 -10.237  -5.069
  135    HE1  PHE  19           1HE      PHE  19   6.682  -9.441  -2.014
  136    HE2  PHE  19           2HE      PHE  19   4.949  -9.136  -5.898
  137    HZ   PHE  19           HZ       PHE  19   6.838  -8.738  -4.369
  138    H    HIS  20           H        HIS  20  -0.818 -10.672  -2.441
  139    HA   HIS  20           HA       HIS  20  -0.958  -8.605  -4.401
  140   1HB   HIS  20          2HB       HIS  20  -2.240 -10.695  -4.604
  141   2HB   HIS  20          1HB       HIS  20  -3.180 -10.257  -3.181
  142    HD1  HIS  20           1HD      HIS  20  -3.252 -10.063  -6.769
  143    HD2  HIS  20           2HD      HIS  20  -4.672  -7.714  -3.649
  144    HE1  HIS  20           1HE      HIS  20  -5.015  -8.588  -7.787
  145    HE2  HIS  20           2HE      HIS  20  -5.910  -7.225  -5.866
  146    H    LYS  21           H        LYS  21  -2.656  -9.059  -1.295
  147    HA   LYS  21           HA       LYS  21  -3.914  -6.551  -1.285
  148   1HB   LYS  21          2HB       LYS  21  -3.335  -8.634   0.762
  149   2HB   LYS  21          1HB       LYS  21  -3.810  -7.041   1.329
  150   1HG   LYS  21          2HG       LYS  21  -5.712  -8.574   1.134
  151   2HG   LYS  21          1HG       LYS  21  -5.875  -7.166   0.085
  152   1HD   LYS  21          2HD       LYS  21  -4.894  -8.610  -1.760
  153   2HD   LYS  21          1HD       LYS  21  -5.144  -9.982  -0.679
  154   1HE   LYS  21          2HE       LYS  21  -7.007  -9.737  -2.234
  155   2HE   LYS  21          1HE       LYS  21  -7.528  -9.470  -0.571
  156   1HZ   LYS  21          1HZ       LYS  21  -6.721  -7.148  -2.166
  157   2HZ   LYS  21          2HZ       LYS  21  -7.877  -7.262  -0.937
  158   3HZ   LYS  21          3HZ       LYS  21  -8.227  -7.851  -2.483
  159    H    ILE  22           H        ILE  22  -0.837  -7.608   0.134
  160    HA   ILE  22           HA       ILE  22  -0.238  -5.191   1.429
  161    HB   ILE  22           HB       ILE  22   1.969  -6.020   1.710
  162   1HG1  ILE  22          2HG1      ILE  22   1.386  -8.027  -0.465
  163   2HG1  ILE  22          1HG1      ILE  22   2.457  -6.638  -0.610
  164   1HG2  ILE  22          1HG2      ILE  22   0.953  -7.324   3.196
  165   2HG2  ILE  22          2HG2      ILE  22   1.254  -8.628   2.049
  166   3HG2  ILE  22          3HG2      ILE  22  -0.302  -7.801   2.054
  167   1HD1  ILE  22          1HD1      ILE  22   2.846  -9.151   0.953
  168   2HD1  ILE  22          2HD1      ILE  22   3.731  -7.681   1.360
  169   3HD1  ILE  22          3HD1      ILE  22   3.906  -8.402  -0.241
  170    H    PHE  23           H        PHE  23   0.689  -6.418  -1.778
  171    HA   PHE  23           HA       PHE  23   2.279  -4.216  -2.520
  172   1HB   PHE  23          2HB       PHE  23   2.174  -6.471  -3.671
  173   2HB   PHE  23          1HB       PHE  23   0.666  -5.937  -4.408
  174    HD1  PHE  23           1HD      PHE  23   4.170  -6.069  -4.748
  175    HD2  PHE  23           2HD      PHE  23   0.777  -3.689  -5.713
  176    HE1  PHE  23           1HE      PHE  23   5.445  -4.992  -6.555
  177    HE2  PHE  23           2HE      PHE  23   2.046  -2.608  -7.523
  178    HZ   PHE  23           HZ       PHE  23   4.382  -3.259  -7.947
  179    H    THR  24           H        THR  24  -1.041  -5.016  -3.538
  180    HA   THR  24           HA       THR  24  -1.626  -2.631  -4.814
  181    HB   THR  24           HB       THR  24  -2.970  -4.984  -4.227
  182    HG1  THR  24           1HG      THR  24  -3.125  -3.800  -6.142
  183   1HG2  THR  24          1HG2      THR  24  -3.937  -4.055  -2.190
  184   2HG2  THR  24          2HG2      THR  24  -5.163  -4.347  -3.425
  185   3HG2  THR  24          3HG2      THR  24  -4.593  -2.706  -3.119
  186    H    SER  25           H        SER  25  -1.861  -3.485  -1.406
  187    HA   SER  25           HA       SER  25  -3.253  -1.267  -0.462
  188   1HB   SER  25          2HB       SER  25  -1.249  -3.130   0.763
  189   2HB   SER  25          1HB       SER  25  -1.792  -1.719   1.668
  190    HG   SER  25           HG       SER  25  -2.999  -3.976   1.584
  191    H    SER  26           H        SER  26   0.272  -1.734  -0.547
  192    HA   SER  26           HA       SER  26   1.021   0.796   0.299
  193   1HB   SER  26          2HB       SER  26   2.616  -1.018   0.214
  194   2HB   SER  26          1HB       SER  26   2.467  -1.118  -1.540
  195    HG   SER  26           HG       SER  26   3.389   0.947  -1.680
  196    H    ILE  27           H        ILE  27   0.590  -0.356  -3.060
  197    HA   ILE  27           HA       ILE  27   1.362   2.066  -4.265
  198    HB   ILE  27           HB       ILE  27   0.950  -0.327  -5.291
  199   1HG1  ILE  27          2HG1      ILE  27   0.945   0.684  -7.522
  200   2HG1  ILE  27          1HG1      ILE  27   0.412   2.216  -6.833
  201   1HG2  ILE  27          1HG2      ILE  27  -1.076  -0.437  -6.657
  202   2HG2  ILE  27          2HG2      ILE  27  -1.660   1.047  -5.906
  203   3HG2  ILE  27          3HG2      ILE  27  -1.446  -0.409  -4.936
  204   1HD1  ILE  27          1HD1      ILE  27   2.460   2.654  -5.890
  205   2HD1  ILE  27          2HD1      ILE  27   2.912   1.842  -7.389
  206   3HD1  ILE  27          3HD1      ILE  27   2.931   0.954  -5.864
  207    H    LEU  28           H        LEU  28  -1.827   0.813  -3.423
  208    HA   LEU  28           HA       LEU  28  -3.370   2.941  -4.402
  209   1HB   LEU  28          2HB       LEU  28  -3.729   0.702  -2.512
  210   2HB   LEU  28          1HB       LEU  28  -4.831   2.049  -2.304
  211    HG   LEU  28           HG       LEU  28  -5.670   1.809  -4.504
  212   1HD1  LEU  28          1HD1      LEU  28  -3.628   1.291  -5.691
  213   2HD1  LEU  28          2HD1      LEU  28  -4.849   0.069  -6.046
  214   3HD1  LEU  28          3HD1      LEU  28  -3.548  -0.288  -4.910
  215   1HD2  LEU  28          1HD2      LEU  28  -6.898   0.364  -3.234
  216   2HD2  LEU  28          2HD2      LEU  28  -5.500  -0.628  -2.819
  217   3HD2  LEU  28          3HD2      LEU  28  -6.236  -0.765  -4.416
  218    H    VAL  29           H        VAL  29  -2.441   2.230  -1.095
  219    HA   VAL  29           HA       VAL  29  -3.349   4.534   0.123
  220    HB   VAL  29           HB       VAL  29  -1.961   3.937   2.004
  221   1HG1  VAL  29          1HG1      VAL  29  -2.437   1.280   1.795
  222   2HG1  VAL  29          2HG1      VAL  29  -3.513   1.921   0.554
  223   3HG1  VAL  29          3HG1      VAL  29  -3.655   2.484   2.219
  224   1HG2  VAL  29          1HG2      VAL  29  -0.438   2.351  -0.016
  225   2HG2  VAL  29          2HG2      VAL  29  -0.424   1.884   1.682
  226   3HG2  VAL  29          3HG2      VAL  29   0.161   3.476   1.200
  227    H    PHE  30           H        PHE  30  -0.084   3.843  -1.164
  228    HA   PHE  30           HA       PHE  30   1.089   6.275  -0.360
  229   1HB   PHE  30          2HB       PHE  30   2.274   4.192  -1.232
  230   2HB   PHE  30          1HB       PHE  30   1.836   4.733  -2.849
  231    HD1  PHE  30           1HD      PHE  30   3.615   5.824   0.225
  232    HD2  PHE  30           2HD      PHE  30   3.202   6.217  -3.992
  233    HE1  PHE  30           1HE      PHE  30   5.621   7.248   0.165
  234    HE2  PHE  30           2HE      PHE  30   5.207   7.641  -4.060
  235    HZ   PHE  30           HZ       PHE  30   6.419   8.158  -1.980
  236    H    PHE  31           H        PHE  31  -0.859   5.377  -3.078
  237    HA   PHE  31           HA       PHE  31  -0.555   7.961  -4.381
  238   1HB   PHE  31          2HB       PHE  31  -1.832   5.352  -5.149
  239   2HB   PHE  31          1HB       PHE  31  -2.276   6.831  -5.994
  240    HD1  PHE  31           1HD      PHE  31  -0.494   4.080  -6.510
  241    HD2  PHE  31           2HD      PHE  31   0.169   8.279  -6.305
  242    HE1  PHE  31           1HE      PHE  31   1.479   3.835  -7.960
  243    HE2  PHE  31           2HE      PHE  31   2.142   8.042  -7.755
  244    HZ   PHE  31           HZ       PHE  31   2.799   5.818  -8.584
  245    H    GLY  32           H        GLY  32  -2.493   6.423  -2.098
  246   1HA   GLY  32          2HA       GLY  32  -4.950   7.824  -2.604
  247   2HA   GLY  32          1HA       GLY  32  -4.551   6.876  -1.166
  248    H    VAL  33           H        VAL  33  -2.172   8.019  -0.531
  249    HA   VAL  33           HA       VAL  33  -2.956  10.377   0.870
  250    HB   VAL  33           HB       VAL  33  -0.379  10.389   1.326
  251   1HG1  VAL  33          1HG1      VAL  33  -2.490   9.557   2.713
  252   2HG1  VAL  33          2HG1      VAL  33  -0.835   9.392   3.303
  253   3HG1  VAL  33          3HG1      VAL  33  -1.642   8.021   2.540
  254   1HG2  VAL  33          1HG2      VAL  33   0.874   8.768   0.523
  255   2HG2  VAL  33          2HG2      VAL  33  -0.501   8.242  -0.441
  256   3HG2  VAL  33          3HG2      VAL  33  -0.228   7.545   1.151
  257    H    ALA  34           H        ALA  34  -0.351   9.723  -1.476
  258    HA   ALA  34           HA       ALA  34   0.465  12.263  -2.031
  259   1HB   ALA  34          1HB       ALA  34   1.338  11.466  -4.047
  260   2HB   ALA  34          2HB       ALA  34   0.007  10.333  -4.284
  261   3HB   ALA  34          3HB       ALA  34   1.229  10.014  -3.052
  262    H    ALA  35           H        ALA  35  -2.221  10.537  -3.587
  263    HA   ALA  35           HA       ALA  35  -3.138  12.703  -5.149
  264   1HB   ALA  35          1HB       ALA  35  -5.154  11.358  -5.462
  265   2HB   ALA  35          2HB       ALA  35  -4.645  10.286  -4.158
  266   3HB   ALA  35          3HB       ALA  35  -3.699  10.378  -5.643
  267    H    PHE  36           H        PHE  36  -4.895  11.226  -2.422
  268    HA   PHE  36           HA       PHE  36  -6.555  13.456  -1.994
  269   1HB   PHE  36          2HB       PHE  36  -6.526  10.860  -1.125
  270   2HB   PHE  36          1HB       PHE  36  -6.125  11.737   0.348
  271    HD1  PHE  36           1HD      PHE  36  -8.406  12.528  -2.491
  272    HD2  PHE  36           2HD      PHE  36  -7.994  11.811   1.683
  273    HE1  PHE  36           1HE      PHE  36 -10.788  13.054  -2.170
  274    HE2  PHE  36           2HE      PHE  36 -10.375  12.336   2.012
  275    HZ   PHE  36           HZ       PHE  36 -11.775  12.958   0.084
  276    H    ALA  37           H        ALA  37  -3.811  12.278  -0.033
  277    HA   ALA  37           HA       ALA  37  -3.753  14.222   1.902
  278   1HB   ALA  37          1HB       ALA  37  -1.145  13.341   0.764
  279   2HB   ALA  37          2HB       ALA  37  -2.223  12.129   1.456
  280   3HB   ALA  37          3HB       ALA  37  -1.657  13.472   2.446
  281    H    HIS  38           H        HIS  38  -2.180  14.422  -1.321
  282    HA   HIS  38           HA       HIS  38  -1.089  17.000  -0.837
  283   1HB   HIS  38          2HB       HIS  38  -1.658  15.536  -3.415
  284   2HB   HIS  38          1HB       HIS  38  -0.870  17.104  -3.349
  285    HD1  HIS  38           1HD      HIS  38   0.519  15.715  -0.528
  286    HD2  HIS  38           2HD      HIS  38   0.971  14.840  -4.564
  287    HE1  HIS  38           1HE      HIS  38   2.721  14.515  -0.713
  288    HE2  HIS  38           2HE      HIS  38   2.924  13.905  -3.149
  289    H    LEU  39           H        LEU  39  -4.031  15.898  -2.489
  290    HA   LEU  39           HA       LEU  39  -4.908  18.519  -3.153
  291   1HB   LEU  39          2HB       LEU  39  -6.658  17.510  -4.178
  292   2HB   LEU  39          1HB       LEU  39  -5.614  16.112  -4.037
  293    HG   LEU  39           HG       LEU  39  -6.902  15.679  -1.815
  294   1HD1  LEU  39          1HD1      LEU  39  -8.330  17.360  -1.366
  295   2HD1  LEU  39          2HD1      LEU  39  -9.384  16.497  -2.485
  296   3HD1  LEU  39          3HD1      LEU  39  -8.431  17.868  -3.051
  297   1HD2  LEU  39          1HD2      LEU  39  -8.608  14.418  -3.058
  298   2HD2  LEU  39          2HD2      LEU  39  -6.999  14.221  -3.753
  299   3HD2  LEU  39          3HD2      LEU  39  -8.168  15.292  -4.525
  300    H    LEU  40           H        LEU  40  -4.801  16.827  -0.233
  301    HA   LEU  40           HA       LEU  40  -7.049  18.267   0.944
  302   1HB   LEU  40          2HB       LEU  40  -5.244  16.082   1.955
  303   2HB   LEU  40          1HB       LEU  40  -6.374  16.922   3.001
  304    HG   LEU  40           HG       LEU  40  -7.303  15.545   0.497
  305   1HD1  LEU  40          1HD1      LEU  40  -7.964  13.827   2.501
  306   2HD1  LEU  40          2HD1      LEU  40  -6.349  14.340   2.990
  307   3HD1  LEU  40          3HD1      LEU  40  -6.601  13.619   1.401
  308   1HD2  LEU  40          1HD2      LEU  40  -8.637  17.238   2.022
  309   2HD2  LEU  40          2HD2      LEU  40  -8.870  15.796   3.011
  310   3HD2  LEU  40          3HD2      LEU  40  -9.412  15.811   1.333
  311    H    VAL  41           H        VAL  41  -3.651  18.530   0.625
  312    HA   VAL  41           HA       VAL  41  -3.006  19.815   3.045
  313    HB   VAL  41           HB       VAL  41  -1.364  18.902   1.352
  314   1HG1  VAL  41          1HG1      VAL  41  -1.176  21.490  -0.009
  315   2HG1  VAL  41          2HG1      VAL  41  -2.612  20.549  -0.416
  316   3HG1  VAL  41          3HG1      VAL  41  -1.007  19.854  -0.647
  317   1HG2  VAL  41          1HG2      VAL  41  -0.236  19.975   3.004
  318   2HG2  VAL  41          2HG2      VAL  41  -1.142  21.475   2.801
  319   3HG2  VAL  41          3HG2      VAL  41   0.153  21.069   1.677
  320    H    TRP  42           H        TRP  42  -4.535  20.951   0.134
  321    HA   TRP  42           HA       TRP  42  -5.155  23.461   1.427
  322   1HB   TRP  42          2HB       TRP  42  -2.949  23.833   0.274
  323   2HB   TRP  42          1HB       TRP  42  -3.758  23.513  -1.256
  324    HD1  TRP  42           HD       TRP  42  -4.025  25.763  -2.439
  325    HE1  TRP  42           1HE      TRP  42  -4.834  28.114  -1.776
  326    HE3  TRP  42           3HE      TRP  42  -4.742  24.995   2.567
  327    HZ2  TRP  42           2HZ      TRP  42  -5.664  29.464   0.559
  328    HZ3  TRP  42           3HZ      TRP  42  -5.544  26.869   3.942
  329    HH2  TRP  42           HH       TRP  42  -5.995  29.058   2.958
  330    H    ILE  43           H        ILE  43  -5.145  22.516  -2.005
  331    HA   ILE  43           HA       ILE  43  -7.862  21.739  -2.088
  332    HB   ILE  43           HB       ILE  43  -8.447  23.783  -3.669
  333   1HG1  ILE  43          2HG1      ILE  43  -7.612  25.903  -2.647
  334   2HG1  ILE  43          1HG1      ILE  43  -6.484  24.951  -1.687
  335   1HG2  ILE  43          1HG2      ILE  43  -8.706  24.474  -0.807
  336   2HG2  ILE  43          2HG2      ILE  43  -9.352  22.914  -1.317
  337   3HG2  ILE  43          3HG2      ILE  43  -9.929  24.398  -2.075
  338   1HD1  ILE  43          1HD1      ILE  43  -5.595  26.038  -3.796
  339   2HD1  ILE  43          2HD1      ILE  43  -6.520  24.824  -4.679
  340   3HD1  ILE  43          3HD1      ILE  43  -5.245  24.324  -3.568
  341    H    TRP  44           H        TRP  44  -5.251  20.944  -3.089
  342    HA   TRP  44           HA       TRP  44  -4.578  19.742  -4.921
  343   1HB   TRP  44          2HB       TRP  44  -7.218  20.072  -5.527
  344   2HB   TRP  44          1HB       TRP  44  -6.452  20.911  -6.873
  345    HD1  TRP  44           HD       TRP  44  -3.927  18.930  -7.175
  346    HE1  TRP  44           1HE      TRP  44  -4.307  16.597  -8.196
  347    HE3  TRP  44           3HE      TRP  44  -8.953  18.490  -6.350
  348    HZ2  TRP  44           2HZ      TRP  44  -6.452  14.808  -8.599
  349    HZ3  TRP  44           3HZ      TRP  44 -10.094  16.436  -7.084
  350    HH2  TRP  44           HH       TRP  44  -8.868  14.635  -8.184
  351    H    ARG  45           H        ARG  45  -4.089  22.720  -4.247
  352    HA   ARG  45           HA       ARG  45  -3.330  23.851  -6.776
  353   1HB   ARG  45          2HB       ARG  45  -4.011  25.410  -5.131
  354   2HB   ARG  45          1HB       ARG  45  -2.939  24.728  -3.919
  355   1HG   ARG  45          2HG       ARG  45  -1.552  25.714  -6.294
  356   2HG   ARG  45          1HG       ARG  45  -2.443  26.957  -5.415
  357   1HD   ARG  45          2HD       ARG  45  -0.423  25.065  -4.216
  358   2HD   ARG  45          1HD       ARG  45  -0.123  26.751  -4.634
  359    HE   ARG  45           HE       ARG  45  -1.465  25.762  -2.307
  360   1HH1  ARG  45          1HH1      ARG  45  -1.238  28.464  -4.504
  361   2HH1  ARG  45          2HH1      ARG  45  -1.805  29.617  -3.343
  362   1HH2  ARG  45          1HH2      ARG  45  -2.211  27.277  -0.778
  363   2HH2  ARG  45          2HH2      ARG  45  -2.358  28.943  -1.227
  364    HA   PRO  46           HA       PRO  46   1.169  23.080  -5.180
  365   1HB   PRO  46          2HB       PRO  46   1.448  21.318  -3.101
  366   2HB   PRO  46          1HB       PRO  46   1.373  23.072  -2.905
  367   1HG   PRO  46          2HG       PRO  46  -0.782  21.031  -2.545
  368   2HG   PRO  46          1HG       PRO  46  -0.416  22.461  -1.565
  369   1HD   PRO  46          2HD       PRO  46  -2.430  22.422  -3.356
  370   2HD   PRO  46          1HD       PRO  46  -1.492  23.890  -3.019
  371    H    TRP  47           H        TRP  47   0.195  19.977  -3.833
  372    HA   TRP  47           HA       TRP  47   0.432  17.852  -4.602
  373   1HB   TRP  47          2HB       TRP  47  -1.302  19.091  -6.278
  374   2HB   TRP  47          1HB       TRP  47  -0.070  18.574  -7.423
  375    HD1  TRP  47           HD       TRP  47  -2.660  17.162  -4.974
  376    HE1  TRP  47           1HE      TRP  47  -3.077  14.691  -5.560
  377    HE3  TRP  47           3HE      TRP  47   0.979  16.539  -8.510
  378    HZ2  TRP  47           2HZ      TRP  47  -2.005  12.736  -7.291
  379    HZ3  TRP  47           3HZ      TRP  47   1.217  14.338  -9.583
  380    HH2  TRP  47           HH       TRP  47  -0.245  12.476  -8.984
  381    H    VAL  48           H        VAL  48   2.732  19.814  -4.823
  382    HA   VAL  48           HA       VAL  48   4.657  18.062  -5.839
  383    HB   VAL  48           HB       VAL  48   5.327  19.824  -7.754
  384   1HG1  VAL  48          1HG1      VAL  48   4.623  17.210  -7.664
  385   2HG1  VAL  48          2HG1      VAL  48   5.070  18.074  -9.136
  386   3HG1  VAL  48          3HG1      VAL  48   3.369  17.861  -8.721
  387   1HG2  VAL  48          1HG2      VAL  48   3.138  21.052  -7.285
  388   2HG2  VAL  48          2HG2      VAL  48   2.344  19.692  -8.077
  389   3HG2  VAL  48          3HG2      VAL  48   3.507  20.672  -8.967
  390    HA   PRO  49           HA       PRO  49   7.299  20.859  -3.693
  391   1HB   PRO  49          2HB       PRO  49   9.655  20.647  -5.011
  392   2HB   PRO  49          1HB       PRO  49   9.006  19.347  -4.004
  393   1HG   PRO  49          2HG       PRO  49   8.912  19.667  -6.980
  394   2HG   PRO  49          1HG       PRO  49   9.259  18.215  -6.020
  395   1HD   PRO  49          2HD       PRO  49   6.834  18.689  -7.140
  396   2HD   PRO  49          1HD       PRO  49   7.030  17.796  -5.619
  397    H    GLY  50           H        GLY  50   5.712  22.477  -4.982
  398   1HA   GLY  50          2HA       GLY  50   5.829  24.773  -5.483
  399   2HA   GLY  50          1HA       GLY  50   7.499  24.556  -5.987
  400    HA   PRO  51           HA       PRO  51   4.699  23.174  -9.691
  401   1HB   PRO  51          2HB       PRO  51   2.128  24.023  -9.638
  402   2HB   PRO  51          1HB       PRO  51   2.635  22.474  -8.952
  403   1HG   PRO  51          2HG       PRO  51   2.104  25.077  -7.570
  404   2HG   PRO  51          1HG       PRO  51   1.635  23.436  -7.086
  405   1HD   PRO  51          2HD       PRO  51   3.767  24.733  -6.016
  406   2HD   PRO  51          1HD       PRO  51   3.707  22.969  -6.201
  407    H    ASN  52           H        ASN  52   3.611  26.223  -8.200
  408    HA   ASN  52           HA       ASN  52   3.418  27.665 -10.619
  409   1HB   ASN  52          2HB       ASN  52   2.633  28.162  -8.088
  410   2HB   ASN  52          1HB       ASN  52   4.081  29.163  -8.147
  411   1HD2  ASN  52          1HD2      ASN  52   4.017  31.060  -9.188
  412   2HD2  ASN  52          2HD2      ASN  52   2.651  31.659 -10.058
  413    H    GLY  53           H        GLY  53   6.050  27.181  -8.328
  414   1HA   GLY  53          2HA       GLY  53   8.221  27.243  -9.790
  415   2HA   GLY  53          1HA       GLY  53   7.783  28.940  -9.909
  416    H    TYR  54           H        TYR  54   7.439  30.059  -7.764
  417    HA   TYR  54           HA       TYR  54   8.809  28.951  -5.487
  418   1HB   TYR  54          2HB       TYR  54  10.446  30.902  -5.409
  419   2HB   TYR  54          1HB       TYR  54  10.784  29.644  -6.594
  420    HD1  TYR  54           1HD      TYR  54  10.399  33.124  -6.079
  421    HD2  TYR  54           2HD      TYR  54   9.891  30.075  -9.002
  422    HE1  TYR  54           1HE      TYR  54  10.461  34.825  -7.854
  423    HE2  TYR  54           2HE      TYR  54   9.952  31.766 -10.786
  424    HH   TYR  54           HH       TYR  54   9.560  34.159 -11.070
  425    H    SER  55           H        SER  55   7.742  32.014  -6.960
  426    HA   SER  55           HA       SER  55   5.953  32.469  -4.725
  427   1HB   SER  55          2HB       SER  55   6.867  34.803  -4.382
  428   2HB   SER  55          1HB       SER  55   7.913  33.503  -3.814
  429    HG   SER  55           HG       SER  55   8.169  34.692  -6.372
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  -3.582 -30.981 -16.792
    2    HA   ALA   1           HA       ALA   1  -5.392 -30.646 -14.631
    3   1HB   ALA   1          1HB       ALA   1  -5.149 -33.183 -14.634
    4   2HB   ALA   1          2HB       ALA   1  -4.878 -32.350 -13.103
    5   3HB   ALA   1          3HB       ALA   1  -3.504 -32.910 -14.058
    6    H    GLU   2           H        GLU   2  -4.451 -29.556 -12.880
    7    HA   GLU   2           HA       GLU   2  -2.195 -28.005 -13.465
    8   1HB   GLU   2          2HB       GLU   2  -3.312 -28.554 -10.712
    9   2HB   GLU   2          1HB       GLU   2  -2.376 -27.154 -11.216
   10   1HG   GLU   2          2HG       GLU   2  -4.159 -26.113 -12.075
   11   2HG   GLU   2          1HG       GLU   2  -4.817 -27.595 -12.766
   12    H    VAL   3           H        VAL   3  -0.382 -27.853 -11.642
   13    HA   VAL   3           HA       VAL   3   0.561 -30.271 -10.512
   14    HB   VAL   3           HB       VAL   3   0.993 -30.856 -12.857
   15   1HG1  VAL   3          1HG1      VAL   3   3.001 -28.632 -12.987
   16   2HG1  VAL   3          2HG1      VAL   3   1.335 -28.404 -13.518
   17   3HG1  VAL   3          3HG1      VAL   3   2.351 -29.617 -14.298
   18   1HG2  VAL   3          1HG2      VAL   3   2.473 -31.778 -11.204
   19   2HG2  VAL   3          2HG2      VAL   3   3.454 -30.312 -11.203
   20   3HG2  VAL   3          3HG2      VAL   3   3.418 -31.349 -12.630
   21    H    LYS   4           H        LYS   4   2.334 -29.960  -9.194
   22    HA   LYS   4           HA       LYS   4   4.124 -28.878  -8.218
   23   1HB   LYS   4          2HB       LYS   4   4.304 -27.577 -10.454
   24   2HB   LYS   4          1HB       LYS   4   3.434 -26.305  -9.607
   25   1HG   LYS   4          2HG       LYS   4   5.249 -26.469  -7.831
   26   2HG   LYS   4          1HG       LYS   4   6.151 -27.422  -9.010
   27   1HD   LYS   4          2HD       LYS   4   5.567 -25.395 -10.590
   28   2HD   LYS   4          1HD       LYS   4   5.417 -24.535  -9.056
   29   1HE   LYS   4          2HE       LYS   4   7.649 -24.219  -9.708
   30   2HE   LYS   4          1HE       LYS   4   7.710 -25.491  -8.488
   31   1HZ   LYS   4          1HZ       LYS   4   7.512 -26.205 -11.336
   32   2HZ   LYS   4          2HZ       LYS   4   8.168 -27.093 -10.055
   33   3HZ   LYS   4          3HZ       LYS   4   9.011 -25.769 -10.684
   34    H    GLN   5           H        GLN   5   1.102 -28.784  -7.650
   35    HA   GLN   5           HA       GLN   5   1.289 -27.476  -5.166
   36   1HB   GLN   5          2HB       GLN   5  -0.657 -25.801  -5.857
   37   2HB   GLN   5          1HB       GLN   5   1.037 -25.358  -5.977
   38   1HG   GLN   5          2HG       GLN   5   0.614 -26.463  -8.421
   39   2HG   GLN   5          1HG       GLN   5  -0.965 -25.762  -8.078
   40   1HE2  GLN   5          1HE2      GLN   5   2.349 -24.736  -7.341
   41   2HE2  GLN   5          2HE2      GLN   5   2.217 -23.183  -8.084
   42    H    GLU   6           H        GLU   6  -1.471 -27.568  -7.412
   43    HA   GLU   6           HA       GLU   6  -3.394 -28.785  -7.417
   44   1HB   GLU   6          2HB       GLU   6  -1.541 -30.640  -6.817
   45   2HB   GLU   6          1HB       GLU   6  -2.494 -30.700  -5.341
   46   1HG   GLU   6          2HG       GLU   6  -4.516 -31.086  -6.709
   47   2HG   GLU   6          1HG       GLU   6  -3.494 -31.137  -8.145
   48    H    SER   7           H        SER   7  -2.159 -28.997  -4.069
   49    HA   SER   7           HA       SER   7  -4.680 -28.709  -2.860
   50   1HB   SER   7          2HB       SER   7  -2.314 -29.469  -1.916
   51   2HB   SER   7          1HB       SER   7  -2.244 -27.779  -1.415
   52    HG   SER   7           HG       SER   7  -4.262 -28.119  -0.354
   53    H    LEU   8           H        LEU   8  -2.426 -26.395  -4.095
   54    HA   LEU   8           HA       LEU   8  -2.260 -24.085  -3.568
   55   1HB   LEU   8          2HB       LEU   8  -4.824 -24.237  -5.112
   56   2HB   LEU   8          1HB       LEU   8  -3.582 -23.003  -5.185
   57    HG   LEU   8           HG       LEU   8  -2.571 -25.644  -5.896
   58   1HD1  LEU   8          1HD1      LEU   8  -3.804 -26.158  -7.745
   59   2HD1  LEU   8          2HD1      LEU   8  -4.373 -24.504  -7.965
   60   3HD1  LEU   8          3HD1      LEU   8  -5.071 -25.515  -6.700
   61   1HD2  LEU   8          1HD2      LEU   8  -2.065 -24.128  -8.009
   62   2HD2  LEU   8          2HD2      LEU   8  -1.144 -23.980  -6.513
   63   3HD2  LEU   8          3HD2      LEU   8  -2.444 -22.842  -6.863
   64    H    SER   9           H        SER   9  -5.796 -24.330  -3.675
   65    HA   SER   9           HA       SER   9  -7.232 -22.906  -2.474
   66   1HB   SER   9          2HB       SER   9  -7.733 -25.119  -1.767
   67   2HB   SER   9          1HB       SER   9  -6.328 -25.174  -0.703
   68    HG   SER   9           HG       SER   9  -8.773 -23.838  -0.362
   69    H    GLY  10           H        GLY  10  -5.289 -23.814   0.333
   70   1HA   GLY  10          2HA       GLY  10  -5.437 -21.225   1.457
   71   2HA   GLY  10          1HA       GLY  10  -4.405 -22.531   2.018
   72    H    ILE  11           H        ILE  11  -3.136 -22.696  -0.704
   73    HA   ILE  11           HA       ILE  11  -1.109 -20.682  -0.205
   74    HB   ILE  11           HB       ILE  11  -1.171 -22.711  -2.437
   75   1HG1  ILE  11          2HG1      ILE  11  -1.387 -23.893  -0.320
   76   2HG1  ILE  11          1HG1      ILE  11   0.236 -24.121  -0.964
   77   1HG2  ILE  11          1HG2      ILE  11   0.516 -21.273  -2.999
   78   2HG2  ILE  11          2HG2      ILE  11   1.398 -22.398  -1.965
   79   3HG2  ILE  11          3HG2      ILE  11   0.861 -20.846  -1.323
   80   1HD1  ILE  11          1HD1      ILE  11   0.605 -23.729   1.281
   81   2HD1  ILE  11          2HD1      ILE  11  -0.654 -22.497   1.378
   82   3HD1  ILE  11          3HD1      ILE  11   0.868 -22.141   0.561
   83    H    THR  12           H        THR  12  -3.529 -21.474  -2.639
   84    HA   THR  12           HA       THR  12  -2.747 -19.563  -4.562
   85    HB   THR  12           HB       THR  12  -5.551 -19.861  -4.727
   86    HG1  THR  12           1HG      THR  12  -5.982 -21.826  -4.110
   87   1HG2  THR  12          1HG2      THR  12  -3.200 -20.886  -6.182
   88   2HG2  THR  12          2HG2      THR  12  -4.615 -20.012  -6.770
   89   3HG2  THR  12          3HG2      THR  12  -4.726 -21.738  -6.421
   90    H    GLU  13           H        GLU  13  -5.329 -19.444  -2.109
   91    HA   GLU  13           HA       GLU  13  -5.890 -16.684  -2.565
   92   1HB   GLU  13          2HB       GLU  13  -7.368 -18.583  -1.504
   93   2HB   GLU  13          1HB       GLU  13  -6.603 -18.065  -0.007
   94   1HG   GLU  13          2HG       GLU  13  -7.389 -15.754  -0.483
   95   2HG   GLU  13          1HG       GLU  13  -8.280 -16.396  -1.862
   96    H    GLY  14           H        GLY  14  -3.791 -18.463  -0.404
   97   1HA   GLY  14          2HA       GLY  14  -3.262 -16.445   1.477
   98   2HA   GLY  14          1HA       GLY  14  -2.180 -17.771   1.079
   99    H    GLU  15           H        GLU  15  -1.135 -17.444  -1.204
  100    HA   GLU  15           HA       GLU  15   0.538 -15.188  -1.024
  101   1HB   GLU  15          2HB       GLU  15   0.054 -16.844  -3.504
  102   2HB   GLU  15          1HB       GLU  15   1.491 -15.913  -3.108
  103   1HG   GLU  15          2HG       GLU  15   0.803 -17.937  -1.117
  104   2HG   GLU  15          1HG       GLU  15   1.180 -18.589  -2.711
  105    H    ALA  16           H        ALA  16  -2.284 -15.902  -3.027
  106    HA   ALA  16           HA       ALA  16  -2.218 -13.627  -4.659
  107   1HB   ALA  16          1HB       ALA  16  -4.593 -15.218  -3.695
  108   2HB   ALA  16          2HB       ALA  16  -3.650 -15.520  -5.154
  109   3HB   ALA  16          3HB       ALA  16  -4.619 -14.052  -5.017
  110    H    LYS  17           H        LYS  17  -3.505 -14.154  -1.432
  111    HA   LYS  17           HA       LYS  17  -4.875 -11.677  -1.214
  112   1HB   LYS  17          2HB       LYS  17  -5.400 -13.588   0.226
  113   2HB   LYS  17          1HB       LYS  17  -3.796 -13.504   0.941
  114   1HG   LYS  17          2HG       LYS  17  -4.406 -11.155   1.678
  115   2HG   LYS  17          1HG       LYS  17  -6.064 -11.559   1.227
  116   1HD   LYS  17          2HD       LYS  17  -4.703 -13.542   2.923
  117   2HD   LYS  17          1HD       LYS  17  -5.000 -11.979   3.684
  118   1HE   LYS  17          2HE       LYS  17  -6.824 -13.673   3.989
  119   2HE   LYS  17          1HE       LYS  17  -7.339 -12.139   3.289
  120   1HZ   LYS  17          1HZ       LYS  17  -6.627 -14.425   1.564
  121   2HZ   LYS  17          2HZ       LYS  17  -7.596 -13.087   1.204
  122   3HZ   LYS  17          3HZ       LYS  17  -8.176 -14.295   2.234
  123    H    GLU  18           H        GLU  18  -1.671 -12.780  -0.151
  124    HA   GLU  18           HA       GLU  18  -0.895 -10.391   1.111
  125   1HB   GLU  18          2HB       GLU  18   0.517 -12.785   0.046
  126   2HB   GLU  18          1HB       GLU  18   1.481 -11.355   0.383
  127   1HG   GLU  18          2HG       GLU  18  -0.381 -12.142   2.513
  128   2HG   GLU  18          1HG       GLU  18   0.924 -13.282   2.184
  129    H    PHE  19           H        PHE  19  -0.397 -11.557  -2.201
  130    HA   PHE  19           HA       PHE  19   1.147  -9.409  -3.122
  131   1HB   PHE  19          2HB       PHE  19   0.870 -11.550  -4.338
  132   2HB   PHE  19          1HB       PHE  19  -0.794 -11.108  -4.704
  133    HD1  PHE  19           1HD      PHE  19   2.729 -10.113  -5.244
  134    HD2  PHE  19           2HD      PHE  19  -1.306  -9.769  -6.553
  135    HE1  PHE  19           1HE      PHE  19   3.491  -8.955  -7.278
  136    HE2  PHE  19           2HE      PHE  19  -0.551  -8.613  -8.589
  137    HZ   PHE  19           HZ       PHE  19   1.851  -8.205  -8.954
  138    H    HIS  20           H        HIS  20  -2.345  -9.984  -3.613
  139    HA   HIS  20           HA       HIS  20  -2.884  -7.468  -4.725
  140   1HB   HIS  20          2HB       HIS  20  -4.890  -8.414  -5.029
  141   2HB   HIS  20          1HB       HIS  20  -4.349  -9.795  -4.085
  142    HD1  HIS  20           1HD      HIS  20  -6.657  -6.927  -4.020
  143    HD2  HIS  20           2HD      HIS  20  -5.144  -9.702  -1.323
  144    HE1  HIS  20           1HE      HIS  20  -8.149  -6.783  -2.000
  145    HE2  HIS  20           2HE      HIS  20  -7.158  -8.405  -0.346
  146    H    LYS  21           H        LYS  21  -2.661  -8.562  -1.415
  147    HA   LYS  21           HA       LYS  21  -3.909  -6.427  -0.114
  148   1HB   LYS  21          2HB       LYS  21  -1.902  -8.485   0.632
  149   2HB   LYS  21          1HB       LYS  21  -2.013  -7.075   1.677
  150   1HG   LYS  21          2HG       LYS  21  -4.573  -8.343   0.956
  151   2HG   LYS  21          1HG       LYS  21  -3.498  -9.289   1.988
  152   1HD   LYS  21          2HD       LYS  21  -3.662  -7.827   3.734
  153   2HD   LYS  21          1HD       LYS  21  -3.917  -6.432   2.683
  154   1HE   LYS  21          2HE       LYS  21  -6.045  -6.591   3.393
  155   2HE   LYS  21          1HE       LYS  21  -6.157  -7.860   2.174
  156   1HZ   LYS  21          1HZ       LYS  21  -7.042  -8.648   4.245
  157   2HZ   LYS  21          2HZ       LYS  21  -5.621  -8.240   5.070
  158   3HZ   LYS  21          3HZ       LYS  21  -5.605  -9.480   3.919
  159    H    ILE  22           H        ILE  22  -0.377  -6.863  -0.074
  160    HA   ILE  22           HA       ILE  22   0.243  -4.237   0.512
  161    HB   ILE  22           HB       ILE  22   1.761  -6.312   0.489
  162   1HG1  ILE  22          2HG1      ILE  22   3.769  -4.892   0.305
  163   2HG1  ILE  22          1HG1      ILE  22   2.792  -3.632  -0.444
  164   1HG2  ILE  22          1HG2      ILE  22   1.367  -6.431  -2.118
  165   2HG2  ILE  22          2HG2      ILE  22   2.890  -6.940  -1.390
  166   3HG2  ILE  22          3HG2      ILE  22   2.757  -5.347  -2.136
  167   1HD1  ILE  22          1HD1      ILE  22   2.124  -2.882   1.527
  168   2HD1  ILE  22          2HD1      ILE  22   3.308  -3.966   2.257
  169   3HD1  ILE  22          3HD1      ILE  22   1.639  -4.495   2.048
  170    H    PHE  23           H        PHE  23  -0.697  -5.621  -2.524
  171    HA   PHE  23           HA       PHE  23   0.418  -3.722  -4.272
  172   1HB   PHE  23          2HB       PHE  23  -0.591  -5.855  -5.028
  173   2HB   PHE  23          1HB       PHE  23  -2.179  -5.254  -4.567
  174    HD1  PHE  23           1HD      PHE  23   0.735  -4.169  -6.633
  175    HD2  PHE  23           2HD      PHE  23  -3.495  -4.416  -6.242
  176    HE1  PHE  23           1HE      PHE  23   0.474  -3.168  -8.865
  177    HE2  PHE  23           2HE      PHE  23  -3.764  -3.417  -8.474
  178    HZ   PHE  23           HZ       PHE  23  -1.779  -2.792  -9.789
  179    H    THR  24           H        THR  24  -2.962  -3.969  -3.202
  180    HA   THR  24           HA       THR  24  -3.687  -1.375  -3.959
  181    HB   THR  24           HB       THR  24  -5.519  -1.780  -2.151
  182    HG1  THR  24           1HG      THR  24  -4.474  -3.428  -1.028
  183   1HG2  THR  24          1HG2      THR  24  -5.139  -3.457  -4.597
  184   2HG2  THR  24          2HG2      THR  24  -6.132  -2.012  -4.393
  185   3HG2  THR  24          3HG2      THR  24  -6.600  -3.525  -3.611
  186    H    SER  25           H        SER  25  -2.358  -2.664  -0.962
  187    HA   SER  25           HA       SER  25  -2.745  -0.543   0.751
  188   1HB   SER  25          2HB       SER  25  -1.226  -2.888   0.776
  189   2HB   SER  25          1HB       SER  25  -0.049  -1.598   1.021
  190    HG   SER  25           HG       SER  25  -0.789  -1.375   2.964
  191    H    SER  26           H        SER  26   0.394  -1.064  -0.843
  192    HA   SER  26           HA       SER  26   1.309   1.549  -0.510
  193   1HB   SER  26          2HB       SER  26   3.096   0.978  -1.958
  194   2HB   SER  26          1HB       SER  26   2.640  -0.532  -1.168
  195    HG   SER  26           HG       SER  26   1.446  -1.063  -3.040
  196    H    ILE  27           H        ILE  27  -0.761   0.191  -2.976
  197    HA   ILE  27           HA       ILE  27  -0.458   2.208  -4.921
  198    HB   ILE  27           HB       ILE  27  -2.332  -0.013  -4.448
  199   1HG1  ILE  27          2HG1      ILE  27  -1.914  -0.422  -6.813
  200   2HG1  ILE  27          1HG1      ILE  27  -1.143   1.152  -6.973
  201   1HG2  ILE  27          1HG2      ILE  27  -4.092   1.499  -4.687
  202   2HG2  ILE  27          2HG2      ILE  27  -3.841   0.885  -6.321
  203   3HG2  ILE  27          3HG2      ILE  27  -3.218   2.473  -5.872
  204   1HD1  ILE  27          1HD1      ILE  27   0.379   0.095  -5.034
  205   2HD1  ILE  27          2HD1      ILE  27   0.725  -0.075  -6.754
  206   3HD1  ILE  27          3HD1      ILE  27  -0.096  -1.372  -5.887
  207    H    LEU  28           H        LEU  28  -3.273   1.742  -2.750
  208    HA   LEU  28           HA       LEU  28  -4.429   4.224  -3.272
  209   1HB   LEU  28          2HB       LEU  28  -5.636   3.877  -1.105
  210   2HB   LEU  28          1HB       LEU  28  -5.758   2.552  -2.249
  211    HG   LEU  28           HG       LEU  28  -3.569   1.854  -0.715
  212   1HD1  LEU  28          1HD1      LEU  28  -3.775   3.339   1.022
  213   2HD1  LEU  28          2HD1      LEU  28  -4.731   1.979   1.612
  214   3HD1  LEU  28          3HD1      LEU  28  -5.535   3.386   0.917
  215   1HD2  LEU  28          1HD2      LEU  28  -4.875   0.039  -0.046
  216   2HD2  LEU  28          2HD2      LEU  28  -5.588   0.536  -1.580
  217   3HD2  LEU  28          3HD2      LEU  28  -6.363   0.985  -0.061
  218    H    VAL  29           H        VAL  29  -1.953   3.314  -0.944
  219    HA   VAL  29           HA       VAL  29  -1.978   5.667   0.563
  220    HB   VAL  29           HB       VAL  29  -0.597   3.176   0.450
  221   1HG1  VAL  29          1HG1      VAL  29   1.217   5.543   0.721
  222   2HG1  VAL  29          2HG1      VAL  29   1.276   4.285  -0.514
  223   3HG1  VAL  29          3HG1      VAL  29   1.633   3.889   1.168
  224   1HG2  VAL  29          1HG2      VAL  29   0.070   4.111   2.817
  225   2HG2  VAL  29          2HG2      VAL  29  -1.569   3.581   2.436
  226   3HG2  VAL  29          3HG2      VAL  29  -1.169   5.299   2.411
  227    H    PHE  30           H        PHE  30  -0.117   4.547  -2.238
  228    HA   PHE  30           HA       PHE  30   1.629   6.743  -2.461
  229   1HB   PHE  30          2HB       PHE  30   1.833   4.515  -3.633
  230   2HB   PHE  30          1HB       PHE  30   0.561   5.047  -4.728
  231    HD1  PHE  30           1HD      PHE  30   0.991   7.282  -5.974
  232    HD2  PHE  30           2HD      PHE  30   4.043   4.947  -4.146
  233    HE1  PHE  30           1HE      PHE  30   2.673   8.371  -7.401
  234    HE2  PHE  30           2HE      PHE  30   5.731   6.032  -5.568
  235    HZ   PHE  30           HZ       PHE  30   5.048   7.747  -7.198
  236    H    PHE  31           H        PHE  31  -1.607   6.162  -3.574
  237    HA   PHE  31           HA       PHE  31  -1.749   8.691  -5.010
  238   1HB   PHE  31          2HB       PHE  31  -2.818   6.347  -5.687
  239   2HB   PHE  31          1HB       PHE  31  -4.130   6.922  -4.664
  240    HD1  PHE  31           1HD      PHE  31  -5.781   8.234  -5.589
  241    HD2  PHE  31           2HD      PHE  31  -1.982   8.032  -7.497
  242    HE1  PHE  31           1HE      PHE  31  -6.653   9.574  -7.459
  243    HE2  PHE  31           2HE      PHE  31  -2.847   9.372  -9.371
  244    HZ   PHE  31           HZ       PHE  31  -5.186  10.144  -9.353
  245    H    GLY  32           H        GLY  32  -2.318   7.389  -1.953
  246   1HA   GLY  32          2HA       GLY  32  -4.471   9.106  -1.142
  247   2HA   GLY  32          1HA       GLY  32  -3.453   8.117  -0.088
  248    H    VAL  33           H        VAL  33  -1.013   8.945  -0.953
  249    HA   VAL  33           HA       VAL  33  -0.637  11.393   0.472
  250    HB   VAL  33           HB       VAL  33   1.753  11.064  -0.485
  251   1HG1  VAL  33          1HG1      VAL  33   0.447   9.292   1.539
  252   2HG1  VAL  33          2HG1      VAL  33   1.384  10.761   1.812
  253   3HG1  VAL  33          3HG1      VAL  33   2.189   9.289   1.264
  254   1HG2  VAL  33          1HG2      VAL  33   1.561   8.249  -0.608
  255   2HG2  VAL  33          2HG2      VAL  33   2.158   9.377  -1.824
  256   3HG2  VAL  33          3HG2      VAL  33   0.453   8.946  -1.785
  257    H    ALA  34           H        ALA  34   0.166  10.368  -2.857
  258    HA   ALA  34           HA       ALA  34   0.861  12.765  -3.951
  259   1HB   ALA  34          1HB       ALA  34  -0.986  10.899  -5.419
  260   2HB   ALA  34          2HB       ALA  34   0.690  10.469  -5.078
  261   3HB   ALA  34          3HB       ALA  34   0.326  11.884  -6.066
  262    H    ALA  35           H        ALA  35  -2.403  11.500  -3.455
  263    HA   ALA  35           HA       ALA  35  -3.808  13.703  -4.529
  264   1HB   ALA  35          1HB       ALA  35  -5.737  12.769  -3.268
  265   2HB   ALA  35          2HB       ALA  35  -4.635  11.614  -2.518
  266   3HB   ALA  35          3HB       ALA  35  -4.898  11.577  -4.261
  267    H    PHE  36           H        PHE  36  -3.762  12.762  -1.091
  268    HA   PHE  36           HA       PHE  36  -4.484  15.327  -0.165
  269   1HB   PHE  36          2HB       PHE  36  -3.586  12.785   1.076
  270   2HB   PHE  36          1HB       PHE  36  -3.414  14.243   2.046
  271    HD1  PHE  36           1HD      PHE  36  -6.018  12.935  -0.290
  272    HD2  PHE  36           2HD      PHE  36  -5.100  14.465   3.573
  273    HE1  PHE  36           1HE      PHE  36  -8.396  12.800   0.324
  274    HE2  PHE  36           2HE      PHE  36  -7.477  14.332   4.195
  275    HZ   PHE  36           HZ       PHE  36  -9.129  13.498   2.569
  276    H    ALA  37           H        ALA  37  -1.349  13.623   0.040
  277    HA   ALA  37           HA       ALA  37   0.193  15.532   1.231
  278   1HB   ALA  37          1HB       ALA  37   2.046  14.399   0.446
  279   2HB   ALA  37          2HB       ALA  37   1.313  14.071  -1.124
  280   3HB   ALA  37          3HB       ALA  37   0.787  13.173   0.300
  281    H    HIS  38           H        HIS  38  -0.508  15.358  -2.288
  282    HA   HIS  38           HA       HIS  38   1.002  17.709  -2.865
  283   1HB   HIS  38          2HB       HIS  38  -1.140  16.307  -4.472
  284   2HB   HIS  38          1HB       HIS  38  -0.181  17.653  -5.067
  285    HD1  HIS  38           1HD      HIS  38  -0.039  15.001  -6.541
  286    HD2  HIS  38           2HD      HIS  38   2.543  16.044  -3.457
  287    HE1  HIS  38           1HE      HIS  38   2.015  13.590  -6.878
  288    HE2  HIS  38           2HE      HIS  38   3.600  14.308  -5.057
  289    H    LEU  39           H        LEU  39  -2.338  17.080  -2.018
  290    HA   LEU  39           HA       LEU  39  -3.347  19.648  -2.687
  291   1HB   LEU  39          2HB       LEU  39  -4.467  17.284  -1.937
  292   2HB   LEU  39          1HB       LEU  39  -4.641  18.215  -0.462
  293    HG   LEU  39           HG       LEU  39  -5.753  20.009  -1.858
  294   1HD1  LEU  39          1HD1      LEU  39  -5.255  17.949  -3.918
  295   2HD1  LEU  39          2HD1      LEU  39  -5.344  19.704  -4.062
  296   3HD1  LEU  39          3HD1      LEU  39  -6.825  18.751  -3.957
  297   1HD2  LEU  39          1HD2      LEU  39  -6.800  17.957  -0.517
  298   2HD2  LEU  39          2HD2      LEU  39  -7.393  17.559  -2.130
  299   3HD2  LEU  39          3HD2      LEU  39  -7.790  19.117  -1.404
  300    H    LEU  40           H        LEU  40  -1.675  18.351   0.076
  301    HA   LEU  40           HA       LEU  40  -2.318  20.562   1.807
  302   1HB   LEU  40          2HB       LEU  40  -0.625  18.114   2.000
  303   2HB   LEU  40          1HB       LEU  40  -0.314  19.434   3.112
  304    HG   LEU  40           HG       LEU  40  -2.754  19.316   3.767
  305   1HD1  LEU  40          1HD1      LEU  40  -3.422  18.046   1.710
  306   2HD1  LEU  40          2HD1      LEU  40  -4.023  17.382   3.229
  307   3HD1  LEU  40          3HD1      LEU  40  -2.650  16.628   2.419
  308   1HD2  LEU  40          1HD2      LEU  40  -0.802  17.100   4.287
  309   2HD2  LEU  40          2HD2      LEU  40  -2.384  17.134   5.066
  310   3HD2  LEU  40          3HD2      LEU  40  -1.245  18.456   5.325
  311    H    VAL  41           H        VAL  41   0.531  19.475  -0.017
  312    HA   VAL  41           HA       VAL  41   2.202  21.615   0.803
  313    HB   VAL  41           HB       VAL  41   3.662  20.962  -1.069
  314   1HG1  VAL  41          1HG1      VAL  41   4.265  18.826  -0.238
  315   2HG1  VAL  41          2HG1      VAL  41   2.622  18.501   0.316
  316   3HG1  VAL  41          3HG1      VAL  41   3.600  19.726   1.125
  317   1HG2  VAL  41          1HG2      VAL  41   2.319  20.384  -2.856
  318   2HG2  VAL  41          2HG2      VAL  41   1.250  19.389  -1.867
  319   3HG2  VAL  41          3HG2      VAL  41   2.860  18.803  -2.287
  320    H    TRP  42           H        TRP  42  -0.171  21.247  -1.721
  321    HA   TRP  42           HA       TRP  42   0.623  23.378  -3.383
  322   1HB   TRP  42          2HB       TRP  42  -1.060  21.554  -3.917
  323   2HB   TRP  42          1HB       TRP  42  -2.222  22.460  -2.954
  324    HD1  TRP  42           HD       TRP  42   0.168  24.457  -5.118
  325    HE1  TRP  42           1HE      TRP  42  -1.138  25.502  -7.073
  326    HE3  TRP  42           3HE      TRP  42  -4.291  22.033  -4.501
  327    HZ2  TRP  42           2HZ      TRP  42  -3.719  25.321  -8.205
  328    HZ3  TRP  42           3HZ      TRP  42  -6.126  22.527  -6.063
  329    HH2  TRP  42           HH       TRP  42  -5.845  24.137  -7.876
  330    H    ILE  43           H        ILE  43  -1.088  23.279  -0.361
  331    HA   ILE  43           HA       ILE  43  -1.443  26.201  -0.507
  332    HB   ILE  43           HB       ILE  43  -3.309  25.898   1.155
  333   1HG1  ILE  43          2HG1      ILE  43  -4.404  23.578   0.988
  334   2HG1  ILE  43          1HG1      ILE  43  -2.838  23.014   0.413
  335   1HG2  ILE  43          1HG2      ILE  43  -3.911  24.504  -1.433
  336   2HG2  ILE  43          2HG2      ILE  43  -3.528  26.225  -1.366
  337   3HG2  ILE  43          3HG2      ILE  43  -4.935  25.601  -0.505
  338   1HD1  ILE  43          1HD1      ILE  43  -3.097  24.507   2.993
  339   2HD1  ILE  43          2HD1      ILE  43  -1.806  23.432   2.454
  340   3HD1  ILE  43          3HD1      ILE  43  -3.380  22.769   2.896
  341    H    TRP  44           H        TRP  44   0.869  24.722   0.428
  342    HA   TRP  44           HA       TRP  44   1.317  26.101   2.864
  343   1HB   TRP  44          2HB       TRP  44  -0.093  23.964   3.458
  344   2HB   TRP  44          1HB       TRP  44   1.448  23.135   3.261
  345    HD1  TRP  44           HD       TRP  44   2.780  22.918   5.427
  346    HE1  TRP  44           1HE      TRP  44   2.901  24.189   7.661
  347    HE3  TRP  44           3HE      TRP  44  -0.527  26.680   4.400
  348    HZ2  TRP  44           2HZ      TRP  44   1.747  26.484   8.833
  349    HZ3  TRP  44           3HZ      TRP  44  -0.962  28.373   6.133
  350    HH2  TRP  44           HH       TRP  44   0.152  28.275   8.303
  351    H    ARG  45           H        ARG  45   2.682  26.241   0.574
  352    HA   ARG  45           HA       ARG  45   4.778  26.189  -0.299
  353   1HB   ARG  45          2HB       ARG  45   5.229  25.528   2.564
  354   2HB   ARG  45          1HB       ARG  45   6.555  25.218   1.451
  355   1HG   ARG  45          2HG       ARG  45   5.200  27.870   1.387
  356   2HG   ARG  45          1HG       ARG  45   6.349  27.513   2.678
  357   1HD   ARG  45          2HD       ARG  45   7.227  26.824  -0.050
  358   2HD   ARG  45          1HD       ARG  45   7.037  28.545   0.279
  359    HE   ARG  45           HE       ARG  45   9.136  26.887   1.178
  360   1HH1  ARG  45          1HH1      ARG  45   7.077  29.490   2.258
  361   2HH1  ARG  45          2HH1      ARG  45   8.238  30.105   3.388
  362   1HH2  ARG  45          1HH2      ARG  45  10.662  27.695   2.663
  363   2HH2  ARG  45          2HH2      ARG  45  10.272  29.086   3.617
  364    HA   PRO  46           HA       PRO  46   5.175  22.105  -1.945
  365   1HB   PRO  46          2HB       PRO  46   7.870  22.754  -2.871
  366   2HB   PRO  46          1HB       PRO  46   6.401  22.489  -3.812
  367   1HG   PRO  46          2HG       PRO  46   7.558  24.922  -3.572
  368   2HG   PRO  46          1HG       PRO  46   5.808  24.708  -3.759
  369   1HD   PRO  46          2HD       PRO  46   7.397  25.257  -1.280
  370   2HD   PRO  46          1HD       PRO  46   5.836  25.934  -1.793
  371    H    TRP  47           H        TRP  47   6.192  20.126  -1.596
  372    HA   TRP  47           HA       TRP  47   7.279  18.538  -0.384
  373   1HB   TRP  47          2HB       TRP  47   9.204  19.664  -1.571
  374   2HB   TRP  47          1HB       TRP  47   9.479  20.588  -0.098
  375    HD1  TRP  47           HD       TRP  47   8.891  16.783  -0.665
  376    HE1  TRP  47           1HE      TRP  47  10.761  15.511   0.563
  377    HE3  TRP  47           3HE      TRP  47  11.535  20.770   1.139
  378    HZ2  TRP  47           2HZ      TRP  47  13.054  16.117   2.095
  379    HZ3  TRP  47           3HZ      TRP  47  13.554  20.338   2.477
  380    HH2  TRP  47           HH       TRP  47  14.297  18.059   2.944
  381    H    VAL  48           H        VAL  48   5.510  20.293   1.054
  382    HA   VAL  48           HA       VAL  48   6.237  19.579   3.710
  383    HB   VAL  48           HB       VAL  48   6.013  22.089   4.479
  384   1HG1  VAL  48          1HG1      VAL  48   8.195  21.962   5.059
  385   2HG1  VAL  48          2HG1      VAL  48   8.719  21.531   3.431
  386   3HG1  VAL  48          3HG1      VAL  48   8.008  20.306   4.482
  387   1HG2  VAL  48          1HG2      VAL  48   6.037  22.494   1.759
  388   2HG2  VAL  48          2HG2      VAL  48   7.706  22.825   2.222
  389   3HG2  VAL  48          3HG2      VAL  48   6.386  23.711   2.986
  390    HA   PRO  49           HA       PRO  49   1.692  19.824   2.769
  391   1HB   PRO  49          2HB       PRO  49   1.819  17.777   4.927
  392   2HB   PRO  49          1HB       PRO  49   0.912  17.760   3.411
  393   1HG   PRO  49          2HG       PRO  49   3.103  16.275   3.697
  394   2HG   PRO  49          1HG       PRO  49   2.753  17.095   2.164
  395   1HD   PRO  49          2HD       PRO  49   4.712  17.821   4.300
  396   2HD   PRO  49          1HD       PRO  49   4.860  17.962   2.536
  397    H    GLY  50           H        GLY  50   2.944  19.171   6.054
  398   1HA   GLY  50          2HA       GLY  50   2.730  20.402   7.996
  399   2HA   GLY  50          1HA       GLY  50   2.054  21.712   7.038
  400    HA   PRO  51           HA       PRO  51  -1.689  18.614   7.853
  401   1HB   PRO  51          2HB       PRO  51  -0.440  17.167  10.141
  402   2HB   PRO  51          1HB       PRO  51  -1.553  16.571   8.906
  403   1HG   PRO  51          2HG       PRO  51   1.035  15.963   8.802
  404   2HG   PRO  51          1HG       PRO  51   0.125  16.323   7.323
  405   1HD   PRO  51          2HD       PRO  51   2.081  18.019   8.809
  406   2HD   PRO  51          1HD       PRO  51   1.795  17.890   7.062
  407    H    ASN  52           H        ASN  52  -3.047  18.336  10.001
  408    HA   ASN  52           HA       ASN  52  -2.353  20.489  11.878
  409   1HB   ASN  52          2HB       ASN  52  -4.794  20.220  10.192
  410   2HB   ASN  52          1HB       ASN  52  -5.000  20.822  11.835
  411   1HD2  ASN  52          1HD2      ASN  52  -5.271  22.103   9.164
  412   2HD2  ASN  52          2HD2      ASN  52  -4.277  23.513   9.244
  413    H    GLY  53           H        GLY  53  -4.574  17.778  11.248
  414   1HA   GLY  53          2HA       GLY  53  -4.886  15.937  12.686
  415   2HA   GLY  53          1HA       GLY  53  -4.136  16.853  13.984
  416    H    TYR  54           H        TYR  54  -7.072  16.618  12.018
  417    HA   TYR  54           HA       TYR  54  -8.704  17.066  14.348
  418   1HB   TYR  54          2HB       TYR  54  -9.891  19.017  13.479
  419   2HB   TYR  54          1HB       TYR  54  -8.180  19.379  13.680
  420    HD1  TYR  54           1HD      TYR  54  -6.694  19.325  11.616
  421    HD2  TYR  54           2HD      TYR  54 -10.943  19.297  11.400
  422    HE1  TYR  54           1HE      TYR  54  -6.574  20.062   9.274
  423    HE2  TYR  54           2HE      TYR  54 -10.835  20.035   9.057
  424    HH   TYR  54           HH       TYR  54  -9.218  19.964   7.177
  425    H    SER  55           H        SER  55  -8.288  14.980  12.370
  426    HA   SER  55           HA       SER  55 -10.688  14.992  10.735
  427   1HB   SER  55          2HB       SER  55  -8.425  14.065   9.987
  428   2HB   SER  55          1HB       SER  55  -8.751  12.700  11.056
  429    HG   SER  55           HG       SER  55 -10.478  13.557   8.974