*HEADER    OXIDOREDUCTASE                          30-JUN-10   2L09              
*TITLE     NMR SOLUTION STRUCTURE OF ASR4154 FROM NOSTOC SP. PCC7120 NORTHEAST   
*TITLE    2 STRUCTURAL GENOMICS CONSORTIUM TARGET ID NSR143                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ASR4154 PROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 9-61;                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NOSTOC SP. PCC 7120;                            
*SOURCE   3 ORGANISM_TAXID: 103690;                                              
*SOURCE   4 STRAIN: PCC 7120;                                                    
*SOURCE   5 GENE: ASR4154;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PMGK;                            
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C                                 
*KEYWDS    PROTO-CHLOROPHYLLIDE REDUCTASE 57 KD SUBUNIT SUPERFAMILY, STRUCTURAL  
*KEYWDS   2 GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL  
*KEYWDS   3 GENOMICS CONSORTIUM, NESG, OXIDOREDUCTASE                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.A.FELDMANN, Y.A.YANG, T.A.RAMELOT, J.R.CORT, H.JANJUA,              
*AUTHOR   2 C.A.CICCOSANTI, D.LEE, T.B.ACTON, R.A.XIAO, J.K.EVERETT,             
*AUTHOR   3 G.T.MONTELIONE, M.A.KENNEDY, NORTHEAST STRUCTURAL GENOMICS           
*AUTHOR   4 CONSORTIUM (NESG)                                                    
*REVDAT   1   25-AUG-10 2L09    0                                                


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assign (resid   3  and name  HB* )(resid   38  and name  HA  )  1.8 0.0 3.11
assign (resid   3  and name  HB* )(resid   38  and name  HB*  )  1.8 0.0 3.17
assign (resid   3  and name  HB* )(resid   40  and name  HN  )  1.8 0.0 2.79
assign (resid   3  and name  HB1 )(resid   3  and name  HD1*  )  1.8 0.0 1.55
assign (resid   3  and name  HB1 )(resid   3  and name  HD2*  )  1.8 0.0 2.23
assign (resid   3  and name  HB1 )(resid   4  and name  HN  )  1.8 0.0 2.66
assign (resid   3  and name  HB1 )(resid   29  and name  HA  )  1.8 0.0 3.7
assign (resid   3  and name  HB1 )(resid   40  and name  HG1*  )  1.8 0.0 2.06
assign (resid   3  and name  HB2 )(resid   3  and name  HD1*  )  1.8 0.0 1.55
assign (resid   3  and name  HB2 )(resid   3  and name  HD2*  )  1.8 0.0 2.23
assign (resid   3  and name  HB2 )(resid   4  and name  HN  )  1.8 0.0 2.66
assign (resid   3  and name  HB2 )(resid   29  and name  HA  )  1.8 0.0 3.7
assign (resid   3  and name  HB2 )(resid   40  and name  HG1*  )  1.8 0.0 2.06
!assign (resid   3  and name  HD1* )(resid   4  and name  HN  )  1.8 0.0 2.36
assign (resid   3  and name  HD1* )(resid   28  and name  HG2*  )  1.8 0.0 2.74
assign (resid   3  and name  HD1* )(resid   29  and name  HA  )  1.8 0.0 1.45
assign (resid   3  and name  HD1* )(resid   29  and name  HB1  )  1.8 0.0 3.17
assign (resid   3  and name  HD1* )(resid   29  and name  HB2  )  1.8 0.0 3.17
assign (resid   3  and name  HD1* )(resid   29  and name  HG1  )  1.8 0.0 2.76
assign (resid   3  and name  HD1* )(resid   29  and name  HG2  )  1.8 0.0 2.76
!assign (resid   3  and name  HD1* )(resid   29  and name  HN  )  1.8 0.0 2.8
!assign (resid   3  and name  HD1* )(resid   30  and name  HN  )  1.8 0.0 2.79
assign (resid   3  and name  HD1* )(resid   32  and name  HB*  )  1.8 0.0 0.91
assign (resid   3  and name  HD1* )(resid   32  and name  HN  )  1.8 0.0 3.2
assign (resid   3  and name  HD1* )(resid   33  and name  HB*  )  1.8 0.0 3.7
assign (resid   3  and name  HD1* )(resid   33  and name  HD*  )  1.8 0.0 3.2
assign (resid   3  and name  HD1* )(resid   33  and name  HG*  )  1.8 0.0 1.97
assign (resid   3  and name  HD1* )(resid   33  and name  HN  )  1.8 0.0 3.2
assign (resid   3  and name  HD1* )(resid   37  and name  HN  )  1.8 0.0 3.57
assign (resid   3  and name  HD1* )(resid   38  and name  HA  )  1.8 0.0 1.39
!assign (resid   3  and name  HD1* )(resid   39  and name  HA  )  1.8 0.0 2.66
assign (resid   3  and name  HD1* )(resid   39  and name  HN  )  1.8 0.0 3.52
assign (resid   3  and name  HD1* )(resid   40  and name  HG1*  )  1.8 0.0 3.18
assign (resid   3  and name  HD1* )(resid   40  and name  HG2*  )  1.8 0.0 3.18
assign (resid   3  and name  HD1* )(resid   40  and name  HN  )  1.8 0.0 2.99
assign (resid   3  and name  HD2* )(resid   4  and name  HN  )  1.8 0.0 2.47
assign (resid   3  and name  HD2* )(resid   29  and name  HB*  )  1.8 0.0 3.2
assign (resid   3  and name  HD2* )(resid   29  and name  HG*  )  1.8 0.0 2.85
assign (resid   3  and name  HD2* )(resid   32  and name  HB*  )  1.8 0.0 2.79
!assign (resid   3  and name  HD2* )(resid   33  and name  HD*  )  1.8 0.0 2.4
assign (resid   3  and name  HD2* )(resid   33  and name  HG1  )  1.8 0.0 3.16
assign (resid   3  and name  HD2* )(resid   33  and name  HG2  )  1.8 0.0 3.16
assign (resid   3  and name  HD2* )(resid   38  and name  HA  )  1.8 0.0 1.45
!assign (resid   3  and name  HD2* )(resid   38  and name  HB1  )  1.8 0.0 2.47
!assign (resid   3  and name  HD2* )(resid   38  and name  HB2  )  1.8 0.0 2.47
!assign (resid   3  and name  HD2* )(resid   39  and name  HN  )  1.8 0.0 3.43
assign (resid   3  and name  HD2* )(resid   40  and name  HG1*  )  1.8 0.0 3.2
assign (resid   3  and name  HD2* )(resid   40  and name  HG2*  )  1.8 0.0 4.7
assign (resid   3  and name  HG )(resid   29  and name  HA  )  1.8 0.0 3.7
assign (resid   3  and name  HG )(resid   29  and name  HG*  )  1.8 0.0 3.42
!assign (resid   3  and name  HG )(resid   30  and name  HN  )  1.8 0.0 4.7
assign (resid   3  and name  HG )(resid   40  and name  HG1*  )  1.8 0.0 2.6
assign (resid   3  and name  HN )(resid   3  and name  HB1  )  1.8 0.0 1.97
assign (resid   3  and name  HN )(resid   3  and name  HB2  )  1.8 0.0 1.97
assign (resid   3  and name  HN )(resid   3  and name  HD2*  )  1.8 0.0 2.21
assign (resid   3  and name  HN )(resid   3  and name  HG  )  1.8 0.0 2.79
assign (resid   4  and name  HA )(resid   4  and name  HG*  )  1.8 0.0 1.54
assign (resid   4  and name  HA )(resid   5  and name  HN  )  1.8 0.0 0.84
assign (resid   4  and name  HB* )(resid   4  and name  HD*  )  1.8 0.0 1.29
assign (resid   4  and name  HB* )(resid   5  and name  HN  )  1.8 0.0 2.65
!assign (resid   4  and name  HB* )(resid   38  and name  HB*  )  1.8 0.0 3.18
assign (resid   4  and name  HB* )(resid   39  and name  HA  )  1.8 0.0 2.21
assign (resid   4  and name  HB* )(resid   39  and name  HD1*  )  1.8 0.0 3.03
assign (resid   4  and name  HB* )(resid   39  and name  HG11  )  1.8 0.0 3.2
assign (resid   4  and name  HB* )(resid   39  and name  HG12  )  1.8 0.0 3.2
assign (resid   4  and name  HB* )(resid   39  and name  HG2*  )  1.8 0.0 1.97
assign (resid   4  and name  HB* )(resid   39  and name  HN  )  1.8 0.0 3.2
assign (resid   4  and name  HB* )(resid   40  and name  HN  )  1.8 0.0 2.64
assign (resid   4  and name  HD* )(resid   5  and name  HN  )  1.8 0.0 3.57
!assign (resid   4  and name  HD* )(resid   6  and name  HA  )  1.8 0.0 3.31
!assign (resid   4  and name  HD* )(resid   6  and name  HG2*  )  1.8 0.0 3.23
!assign (resid   4  and name  HD* )(resid   39  and name  HB  )  1.8 0.0 3.7
assign (resid   4  and name  HD* )(resid   39  and name  HD1*  )  1.8 0.0 2.46
assign (resid   4  and name  HD* )(resid   39  and name  HG11  )  1.8 0.0 3.05
assign (resid   4  and name  HD* )(resid   39  and name  HG12  )  1.8 0.0 3.05
!assign (resid   4  and name  HD* )(resid   39  and name  HG2*  )  1.8 0.0 2.77
assign (resid   4  and name  HG* )(resid   5  and name  HN  )  1.8 0.0 2.38
!assign (resid   4  and name  HG* )(resid   39  and name  HG1*  )  1.8 0.0 1.37
assign (resid   4  and name  HN )(resid   4  and name  HB*  )  1.8 0.0 1.11
assign (resid   4  and name  HN )(resid   4  and name  HD*  )  1.8 0.0 2.89
assign (resid   4  and name  HN )(resid   4  and name  HG*  )  1.8 0.0 3.04
!assign (resid   4  and name  HN )(resid   5  and name  HA  )  1.8 0.0 3.59
assign (resid   4  and name  HN )(resid   5  and name  HN  )  1.8 0.0 2.9
assign (resid   4  and name  HN )(resid   38  and name  HB1  )  1.8 0.0 2.95
assign (resid   4  and name  HN )(resid   38  and name  HB2  )  1.8 0.0 2.95
assign (resid   4  and name  HN )(resid   39  and name  HA  )  1.8 0.0 3.2
assign (resid   4  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 3.2
!assign (resid   4  and name  HN )(resid   40  and name  HN  )  1.8 0.0 2.49
assign (resid   5  and name  HA )(resid   5  and name  HE3  )  1.8 0.0 2.45
assign (resid   5  and name  HA )(resid   6  and name  HG2*  )  1.8 0.0 2.45
assign (resid   5  and name  HA )(resid   6  and name  HN  )  1.8 0.0 0.87
assign (resid   5  and name  HA )(resid   9  and name  HB*  )  1.8 0.0 2.63
!assign (resid   5  and name  HA )(resid   10  and name  HA  )  1.8 0.0 3.7
!assign (resid   5  and name  HA )(resid   10  and name  HD*  )  1.8 0.0 3.18
assign (resid   5  and name  HA )(resid   10  and name  HG*  )  1.8 0.0 2.99
assign (resid   5  and name  HA )(resid   39  and name  HA  )  1.8 0.0 2.73
assign (resid   5  and name  HA )(resid   39  and name  HG2*  )  1.8 0.0 2.54
!assign (resid   5  and name  HA )(resid   40  and name  HA  )  1.8 0.0 3.34
assign (resid   5  and name  HA )(resid   40  and name  HG1*  )  1.8 0.0 2.17
assign (resid   5  and name  HA )(resid   40  and name  HG2*  )  1.8 0.0 2.39
assign (resid   5  and name  HA )(resid   40  and name  HN  )  1.8 0.0 3.2
assign (resid   5  and name  HB* )(resid   5  and name  HZ3  )  1.8 0.0 3.19
!assign (resid   5  and name  HB* )(resid   6  and name  HA  )  1.8 0.0 3.51
assign (resid   5  and name  HB* )(resid   9  and name  HN  )  1.8 0.0 3.39
assign (resid   5  and name  HB* )(resid   10  and name  HA  )  1.8 0.0 3.11
assign (resid   5  and name  HB* )(resid   10  and name  HE2  )  1.8 0.0 3.7
assign (resid   5  and name  HB* )(resid   40  and name  HG2*  )  1.8 0.0 3.42
assign (resid   5  and name  HB* )(resid   40  and name  HN  )  1.8 0.0 3.44
assign (resid   5  and name  HB* )(resid   45  and name  HG2*  )  1.8 0.0 3.18
assign (resid   5  and name  HB1 )(resid   5  and name  HE3  )  1.8 0.0 2.29
assign (resid   5  and name  HB1 )(resid   6  and name  HN  )  1.8 0.0 3.25
assign (resid   5  and name  HB1 )(resid   9  and name  HB*  )  1.8 0.0 2.53
assign (resid   5  and name  HB1 )(resid   10  and name  HB*  )  1.8 0.0 3.53
assign (resid   5  and name  HB1 )(resid   10  and name  HD*  )  1.8 0.0 2.72
assign (resid   5  and name  HB1 )(resid   10  and name  HG1  )  1.8 0.0 2.39
assign (resid   5  and name  HB1 )(resid   10  and name  HG2  )  1.8 0.0 2.39
assign (resid   5  and name  HB1 )(resid   10  and name  HN  )  1.8 0.0 3.03
assign (resid   5  and name  HB2 )(resid   5  and name  HE3  )  1.8 0.0 2.29
assign (resid   5  and name  HB2 )(resid   6  and name  HN  )  1.8 0.0 3.25
!assign (resid   5  and name  HB2 )(resid   9  and name  HB*  )  1.8 0.0 2.53
assign (resid   5  and name  HB2 )(resid   10  and name  HB*  )  1.8 0.0 3.53
assign (resid   5  and name  HB2 )(resid   10  and name  HD*  )  1.8 0.0 2.72
assign (resid   5  and name  HB2 )(resid   10  and name  HG1  )  1.8 0.0 2.39
assign (resid   5  and name  HB2 )(resid   10  and name  HG2  )  1.8 0.0 2.39
assign (resid   5  and name  HB2 )(resid   10  and name  HN  )  1.8 0.0 3.03
assign (resid   5  and name  HE3 )(resid   6  and name  HN  )  1.8 0.0 2.59
assign (resid   5  and name  HE3 )(resid   9  and name  HA  )  1.8 0.0 3
assign (resid   5  and name  HE3 )(resid   9  and name  HB*  )  1.8 0.0 1.26
assign (resid   5  and name  HE3 )(resid   9  and name  HN  )  1.8 0.0 3.7
assign (resid   5  and name  HE3 )(resid   10  and name  HA  )  1.8 0.0 1.64
assign (resid   5  and name  HE3 )(resid   10  and name  HB*  )  1.8 0.0 3.7
!assign (resid   5  and name  HE3 )(resid   10  and name  HD*  )  1.8 0.0 3.7
assign (resid   5  and name  HE3 )(resid   10  and name  HG1  )  1.8 0.0 3.2
assign (resid   5  and name  HE3 )(resid   10  and name  HG2  )  1.8 0.0 3.2
!assign (resid   5  and name  HE3 )(resid   10  and name  HN  )  1.8 0.0 2.02
!assign (resid   5  and name  HE3 )(resid   12  and name  HN  )  1.8 0.0 3.7
assign (resid   5  and name  HE3 )(resid   13  and name  HB*  )  1.8 0.0 3.1
assign (resid   5  and name  HE3 )(resid   13  and name  HD2*  )  1.8 0.0 3.24
assign (resid   5  and name  HE3 )(resid   28  and name  HD1*  )  1.8 0.0 3.49
assign (resid   5  and name  HE3 )(resid   40  and name  HB  )  1.8 0.0 3.54
assign (resid   5  and name  HE3 )(resid   40  and name  HG2*  )  1.8 0.0 2.19
assign (resid   5  and name  HE3 )(resid   45  and name  HG2*  )  1.8 0.0 2.98
assign (resid   5  and name  HH2 )(resid   13  and name  HD1*  )  1.8 0.0 1.71
assign (resid   5  and name  HH2 )(resid   13  and name  HD2*  )  1.8 0.0 1.42
assign (resid   5  and name  HH2 )(resid   25  and name  HA  )  1.8 0.0 1.58
assign (resid   5  and name  HH2 )(resid   25  and name  HG*  )  1.8 0.0 2.44
assign (resid   5  and name  HH2 )(resid   28  and name  HB  )  1.8 0.0 2.24
assign (resid   5  and name  HH2 )(resid   28  and name  HD1*  )  1.8 0.0 1.41
assign (resid   5  and name  HH2 )(resid   28  and name  HG1*  )  1.8 0.0 3.05
assign (resid   5  and name  HH2 )(resid   28  and name  HG2*  )  1.8 0.0 1.83
assign (resid   5  and name  HH2 )(resid   28  and name  HN  )  1.8 0.0 3.7
assign (resid   5  and name  HH2 )(resid   29  and name  HG*  )  1.8 0.0 3.41
assign (resid   5  and name  HH2 )(resid   40  and name  HG2*  )  1.8 0.0 2.73
assign (resid   5  and name  HN )(resid   5  and name  HB1  )  1.8 0.0 2.1
assign (resid   5  and name  HN )(resid   5  and name  HB2  )  1.8 0.0 2.1
assign (resid   5  and name  HN )(resid   6  and name  HG2*  )  1.8 0.0 3.7
assign (resid   5  and name  HN )(resid   6  and name  HN  )  1.8 0.0 2.73
assign (resid   5  and name  HN )(resid   9  and name  HB*  )  1.8 0.0 3.7
assign (resid   5  and name  HN )(resid   10  and name  HG*  )  1.8 0.0 3.06
!assign (resid   5  and name  HN )(resid   39  and name  HG1*  )  1.8 0.0 3.7
!assign (resid   5  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 3.6
assign (resid   5  and name  HZ2 )(resid   13  and name  HD2*  )  1.8 0.0 1.85
assign (resid   5  and name  HZ2 )(resid   25  and name  HA  )  1.8 0.0 3.01
!assign (resid   5  and name  HZ2 )(resid   25  and name  HD*  )  1.8 0.0 1.87
assign (resid   5  and name  HZ2 )(resid   25  and name  HE1  )  1.8 0.0 2.85
assign (resid   5  and name  HZ2 )(resid   25  and name  HE2  )  1.8 0.0 2.72
assign (resid   5  and name  HZ2 )(resid   28  and name  HD1*  )  1.8 0.0 3.65
assign (resid   5  and name  HZ2 )(resid   28  and name  HG2*  )  1.8 0.0 2.36
assign (resid   5  and name  HZ2 )(resid   29  and name  HA  )  1.8 0.0 3.48
assign (resid   5  and name  HZ2 )(resid   29  and name  HG1  )  1.8 0.0 2.48
assign (resid   5  and name  HZ2 )(resid   29  and name  HG2  )  1.8 0.0 2.48
assign (resid   5  and name  HZ2 )(resid   29  and name  HN  )  1.8 0.0 3.67
assign (resid   5  and name  HZ2 )(resid   40  and name  HG1*  )  1.8 0.0 3
assign (resid   5  and name  HZ2 )(resid   40  and name  HG2*  )  1.8 0.0 2.92
assign (resid   5  and name  HZ3 )(resid   9  and name  HA  )  1.8 0.0 3.7
assign (resid   5  and name  HZ3 )(resid   9  and name  HB*  )  1.8 0.0 1.97
assign (resid   5  and name  HZ3 )(resid   10  and name  HA  )  1.8 0.0 3.1
!assign (resid   5  and name  HZ3 )(resid   12  and name  HB1  )  1.8 0.0 3.64
!assign (resid   5  and name  HZ3 )(resid   12  and name  HB2  )  1.8 0.0 3.64
!assign (resid   5  and name  HZ3 )(resid   13  and name  HA  )  1.8 0.0 2.03
assign (resid   5  and name  HZ3 )(resid   13  and name  HB1  )  1.8 0.0 2.73
assign (resid   5  and name  HZ3 )(resid   13  and name  HB2  )  1.8 0.0 2.73
assign (resid   5  and name  HZ3 )(resid   13  and name  HD1*  )  1.8 0.0 1.97
assign (resid   5  and name  HZ3 )(resid   13  and name  HD2*  )  1.8 0.0 2.25
assign (resid   5  and name  HZ3 )(resid   13  and name  HG  )  1.8 0.0 3.4
!assign (resid   5  and name  HZ3 )(resid   13  and name  HN  )  1.8 0.0 2.5
assign (resid   5  and name  HZ3 )(resid   28  and name  HB  )  1.8 0.0 3.36
assign (resid   5  and name  HZ3 )(resid   28  and name  HD1*  )  1.8 0.0 1.55
assign (resid   5  and name  HZ3 )(resid   28  and name  HG2*  )  1.8 0.0 2.49
assign (resid   5  and name  HZ3 )(resid   40  and name  HG2*  )  1.8 0.0 2.5
assign (resid   5  and name  HZ3 )(resid   45  and name  HA  )  1.8 0.0 3.61
assign (resid   5  and name  HZ3 )(resid   45  and name  HG1*  )  1.8 0.0 2.62
assign (resid   5  and name  HZ3 )(resid   45  and name  HG2*  )  1.8 0.0 1.6
assign (resid   6  and name  HA )(resid   6  and name  HB  )  1.8 0.0 1.04
assign (resid   6  and name  HA )(resid   6  and name  HG2*  )  1.8 0.0 1.18
!assign (resid   6  and name  HA )(resid   7  and name  HA  )  1.8 0.0 2.59
!assign (resid   6  and name  HA )(resid   10  and name  HD*  )  1.8 0.0 2.92
assign (resid   6  and name  HA )(resid   39  and name  HD1*  )  1.8 0.0 4.41
assign (resid   6  and name  HA )(resid   39  and name  HG2*  )  1.8 0.0 2.45
assign (resid   6  and name  HB )(resid   7  and name  HN  )  1.8 0.0 2.14
assign (resid   6  and name  HB )(resid   8  and name  HB*  )  1.8 0.0 2.68
assign (resid   6  and name  HB )(resid   8  and name  HG*  )  1.8 0.0 2.96
assign (resid   6  and name  HB )(resid   8  and name  HN  )  1.8 0.0 1.35
assign (resid   6  and name  HB )(resid   9  and name  HB*  )  1.8 0.0 2.76
assign (resid   6  and name  HB )(resid   9  and name  HN  )  1.8 0.0 2.14
assign (resid   6  and name  HB )(resid   41  and name  HG2*  )  1.8 0.0 3.7
assign (resid   6  and name  HB )(resid   42  and name  HD1  )  1.8 0.0 3.58
assign (resid   6  and name  HB )(resid   42  and name  HD2  )  1.8 0.0 3.58
assign (resid   6  and name  HG2* )(resid   7  and name  HN  )  1.8 0.0 3.43
assign (resid   6  and name  HG2* )(resid   8  and name  HB*  )  1.8 0.0 2.97
assign (resid   6  and name  HG2* )(resid   8  and name  HN  )  1.8 0.0 2.72
assign (resid   6  and name  HG2* )(resid   39  and name  HD1*  )  1.8 0.0 2.18
assign (resid   6  and name  HG2* )(resid   39  and name  HG2*  )  1.8 0.0 1
assign (resid   6  and name  HG2* )(resid   40  and name  HA  )  1.8 0.0 3.47
assign (resid   6  and name  HG2* )(resid   40  and name  HN  )  1.8 0.0 1.95
assign (resid   6  and name  HG2* )(resid   41  and name  HA  )  1.8 0.0 1.21
assign (resid   6  and name  HG2* )(resid   41  and name  HG2*  )  1.8 0.0 3.2
assign (resid   6  and name  HG2* )(resid   41  and name  HN  )  1.8 0.0 3.2
assign (resid   6  and name  HG2* )(resid   42  and name  HD1  )  1.8 0.0 2.32
assign (resid   6  and name  HG2* )(resid   42  and name  HD2  )  1.8 0.0 2.32
assign (resid   6  and name  HN )(resid   6  and name  HB  )  1.8 0.0 1.89
assign (resid   6  and name  HN )(resid   6  and name  HG2*  )  1.8 0.0 1.06
!assign (resid   6  and name  HN )(resid   8  and name  HB*  )  1.8 0.0 3.7
!assign (resid   6  and name  HN )(resid   9  and name  HA  )  1.8 0.0 4.17
assign (resid   6  and name  HN )(resid   9  and name  HB*  )  1.8 0.0 1.19
!assign (resid   6  and name  HN )(resid   10  and name  HB*  )  1.8 0.0 3.7
!assign (resid   6  and name  HN )(resid   10  and name  HD*  )  1.8 0.0 2.67
assign (resid   6  and name  HN )(resid   10  and name  HG*  )  1.8 0.0 2.76
assign (resid   6  and name  HN )(resid   39  and name  HG1*  )  1.8 0.0 4.7
assign (resid   6  and name  HN )(resid   39  and name  HG2*  )  1.8 0.0 4.71
!assign (resid   6  and name  HN )(resid   40  and name  HA  )  1.8 0.0 3.7
assign (resid   6  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 3.45
assign (resid   6  and name  HN )(resid   40  and name  HG2*  )  1.8 0.0 2.7
assign (resid   6  and name  HN )(resid   40  and name  HN  )  1.8 0.0 2.31
!assign (resid   6  and name  HN )(resid   41  and name  HN  )  1.8 0.0 3.7
assign (resid   6  and name  HN )(resid   42  and name  HD*  )  1.8 0.0 3.2
assign (resid   7  and name  HA )(resid   10  and name  HB*  )  1.8 0.0 3.12
assign (resid   7  and name  HA )(resid   10  and name  HD*  )  1.8 0.0 3.09
!assign (resid   7  and name  HA )(resid   10  and name  HE1  )  1.8 0.0 4.16
!assign (resid   7  and name  HA )(resid   10  and name  HE2  )  1.8 0.0 4.13
assign (resid   7  and name  HA )(resid   10  and name  HG*  )  1.8 0.0 3.45
assign (resid   7  and name  HA )(resid   10  and name  HN  )  1.8 0.0 3.4
assign (resid   7  and name  HB* )(resid   8  and name  HN  )  1.8 0.0 1.85
assign (resid   7  and name  HB* )(resid   9  and name  HN  )  1.8 0.0 3.7
!assign (resid   7  and name  HB* )(resid   10  and name  HB*  )  1.8 0.0 3.6
assign (resid   7  and name  HB* )(resid   10  and name  HD*  )  1.8 0.0 2.17
assign (resid   7  and name  HN )(resid   8  and name  HB*  )  1.8 0.0 3.54
assign (resid   8  and name  HA )(resid   8  and name  HG*  )  1.8 0.0 1.35
assign (resid   8  and name  HA )(resid   11  and name  HB  )  1.8 0.0 1.86
!assign (resid   8  and name  HA )(resid   11  and name  HG2*  )  1.8 0.0 2.64
assign (resid   8  and name  HA )(resid   11  and name  HN  )  1.8 0.0 2.03
!assign (resid   8  and name  HB* )(resid   41  and name  HA  )  1.8 0.0 3.08
assign (resid   8  and name  HB* )(resid   42  and name  HD*  )  1.8 0.0 2.23
assign (resid   8  and name  HB* )(resid   42  and name  HG*  )  1.8 0.0 2.95
assign (resid   8  and name  HB1 )(resid   9  and name  HB*  )  1.8 0.0 3.15
assign (resid   8  and name  HB1 )(resid   9  and name  HN  )  1.8 0.0 2.3
!assign (resid   8  and name  HB1 )(resid   11  and name  HB  )  1.8 0.0 3.7
!assign (resid   8  and name  HB1 )(resid   12  and name  HG*  )  1.8 0.0 2.73
assign (resid   8  and name  HB1 )(resid   42  and name  HD*  )  1.8 0.0 2.79
assign (resid   8  and name  HB2 )(resid   9  and name  HB*  )  1.8 0.0 3.15
assign (resid   8  and name  HB2 )(resid   9  and name  HN  )  1.8 0.0 2.3
!assign (resid   8  and name  HB2 )(resid   11  and name  HB  )  1.8 0.0 3.7
!assign (resid   8  and name  HB2 )(resid   12  and name  HG*  )  1.8 0.0 2.73
assign (resid   8  and name  HB2 )(resid   42  and name  HD*  )  1.8 0.0 2.79
assign (resid   8  and name  HG* )(resid   9  and name  HN  )  1.8 0.0 2.55
assign (resid   8  and name  HG* )(resid   11  and name  HB  )  1.8 0.0 3.54
assign (resid   8  and name  HN )(resid   8  and name  HB1  )  1.8 0.0 2.01
assign (resid   8  and name  HN )(resid   8  and name  HB2  )  1.8 0.0 2.01
assign (resid   8  and name  HN )(resid   8  and name  HG*  )  1.8 0.0 2.03
assign (resid   8  and name  HN )(resid   9  and name  HB*  )  1.8 0.0 3
assign (resid   8  and name  HN )(resid   9  and name  HN  )  1.8 0.0 1.67
assign (resid   8  and name  HN )(resid   10  and name  HN  )  1.8 0.0 2.53
assign (resid   8  and name  HN )(resid   42  and name  HD*  )  1.8 0.0 3.48
assign (resid   9  and name  HA )(resid   12  and name  HB*  )  1.8 0.0 1.67
assign (resid   9  and name  HA )(resid   12  and name  HG*  )  1.8 0.0 1.97
assign (resid   9  and name  HA )(resid   12  and name  HN  )  1.8 0.0 1.88
assign (resid   9  and name  HA )(resid   40  and name  HG2*  )  1.8 0.0 3.34
assign (resid   9  and name  HA )(resid   42  and name  HA  )  1.8 0.0 1.8
assign (resid   9  and name  HA )(resid   42  and name  HB1  )  1.8 0.0 2.98
assign (resid   9  and name  HA )(resid   42  and name  HB2  )  1.8 0.0 2.98
assign (resid   9  and name  HA )(resid   45  and name  HG2*  )  1.8 0.0 1.61
assign (resid   9  and name  HB* )(resid   10  and name  HN  )  1.8 0.0 1.25
assign (resid   9  and name  HB* )(resid   12  and name  HB*  )  1.8 0.0 2.18
assign (resid   9  and name  HB* )(resid   13  and name  HN  )  1.8 0.0 2.73
assign (resid   9  and name  HB* )(resid   28  and name  HG2*  )  1.8 0.0 2.7
assign (resid   9  and name  HB* )(resid   40  and name  HG2*  )  1.8 0.0 1.27
assign (resid   9  and name  HB* )(resid   41  and name  HA  )  1.8 0.0 1.48
!assign (resid   9  and name  HB* )(resid   41  and name  HB  )  1.8 0.0 3.18
!assign (resid   9  and name  HB* )(resid   41  and name  HN  )  1.8 0.0 2.65
assign (resid   9  and name  HB* )(resid   42  and name  HA  )  1.8 0.0 1.73
assign (resid   9  and name  HB* )(resid   42  and name  HD1  )  1.8 0.0 2.76
assign (resid   9  and name  HB* )(resid   42  and name  HD2  )  1.8 0.0 2.76
assign (resid   9  and name  HB* )(resid   42  and name  HG*  )  1.8 0.0 3.2
!assign (resid   9  and name  HB* )(resid   43  and name  HN  )  1.8 0.0 2.91
assign (resid   9  and name  HB* )(resid   45  and name  HB  )  1.8 0.0 2.79
assign (resid   9  and name  HB* )(resid   45  and name  HG1*  )  1.8 0.0 2.94
assign (resid   9  and name  HB* )(resid   45  and name  HG2*  )  1.8 0.0 0.98
assign (resid   9  and name  HN )(resid   9  and name  HB*  )  1.8 0.0 0.91
assign (resid   9  and name  HN )(resid   10  and name  HB*  )  1.8 0.0 3.7
assign (resid   9  and name  HN )(resid   10  and name  HN  )  1.8 0.0 1.1
!assign (resid   9  and name  HN )(resid   12  and name  HE*  )  1.8 0.0 4.7
!assign (resid   9  and name  HN )(resid   12  and name  HG*  )  1.8 0.0 2.57
assign (resid   9  and name  HN )(resid   40  and name  HG2*  )  1.8 0.0 3.59
!assign (resid   9  and name  HN )(resid   41  and name  HA  )  1.8 0.0 2.37
!assign (resid   9  and name  HN )(resid   42  and name  HA  )  1.8 0.0 2.58
!assign (resid   9  and name  HN )(resid   42  and name  HB1  )  1.8 0.0 3.21
!assign (resid   9  and name  HN )(resid   42  and name  HB2  )  1.8 0.0 3.21
assign (resid   9  and name  HN )(resid   42  and name  HD1  )  1.8 0.0 3.13
!assign (resid   9  and name  HN )(resid   42  and name  HD2  )  1.8 0.0 3.13
assign (resid   9  and name  HN )(resid   42  and name  HG1  )  1.8 0.0 3.46
!assign (resid   9  and name  HN )(resid   42  and name  HG2  )  1.8 0.0 3.46
assign (resid   10  and name  HA )(resid   10  and name  HD*  )  1.8 0.0 2.45
!assign (resid   10  and name  HA )(resid   10  and name  HE1  )  1.8 0.0 3.38
assign (resid   10  and name  HA )(resid   10  and name  HG*  )  1.8 0.0 1.49
assign (resid   10  and name  HA )(resid   12  and name  HN  )  1.8 0.0 3.06
assign (resid   10  and name  HA )(resid   13  and name  HB1  )  1.8 0.0 2.35
assign (resid   10  and name  HA )(resid   13  and name  HB2  )  1.8 0.0 2.35
assign (resid   10  and name  HA )(resid   13  and name  HD2*  )  1.8 0.0 2.39
assign (resid   10  and name  HA )(resid   13  and name  HN  )  1.8 0.0 2.27
!assign (resid   10  and name  HB* )(resid   11  and name  HA  )  1.8 0.0 3.24
assign (resid   10  and name  HB* )(resid   11  and name  HN  )  1.8 0.0 1.52
assign (resid   10  and name  HB* )(resid   12  and name  HN  )  1.8 0.0 3.7
assign (resid   10  and name  HB1 )(resid   10  and name  HD*  )  1.8 0.0 1.82
!assign (resid   10  and name  HB1 )(resid   10  and name  HE1  )  1.8 0.0 2.58
!assign (resid   10  and name  HB1 )(resid   10  and name  HE2  )  1.8 0.0 2.52
assign (resid   10  and name  HB2 )(resid   10  and name  HD*  )  1.8 0.0 1.82
!assign (resid   10  and name  HB2 )(resid   10  and name  HE1  )  1.8 0.0 2.58
!assign (resid   10  and name  HB2 )(resid   10  and name  HE2  )  1.8 0.0 2.52
!assign (resid   10  and name  HE2 )(resid   11  and name  HN  )  1.8 0.0 3.7
assign (resid   10  and name  HG* )(resid   10  and name  HE1  )  1.8 0.0 2.26
assign (resid   10  and name  HG* )(resid   13  and name  HD2*  )  1.8 0.0 3.7
assign (resid   10  and name  HN )(resid   10  and name  HB*  )  1.8 0.0 1.14
assign (resid   10  and name  HN )(resid   10  and name  HD*  )  1.8 0.0 3.2
assign (resid   10  and name  HN )(resid   10  and name  HE2  )  1.8 0.0 3.7
assign (resid   10  and name  HN )(resid   10  and name  HG1  )  1.8 0.0 2.22
assign (resid   10  and name  HN )(resid   10  and name  HG2  )  1.8 0.0 2.22
assign (resid   10  and name  HN )(resid   40  and name  HG2*  )  1.8 0.0 3.68
assign (resid   10  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 3.6
assign (resid   11  and name  HA )(resid   11  and name  HG2*  )  1.8 0.0 1.31
assign (resid   11  and name  HA )(resid   14  and name  HB*  )  1.8 0.0 1.91
assign (resid   11  and name  HA )(resid   14  and name  HD*  )  1.8 0.0 1.99
assign (resid   11  and name  HA )(resid   14  and name  HE*  )  1.8 0.0 3
assign (resid   11  and name  HA )(resid   14  and name  HG*  )  1.8 0.0 2.1
assign (resid   11  and name  HA )(resid   14  and name  HN  )  1.8 0.0 2.33
assign (resid   11  and name  HB )(resid   12  and name  HB*  )  1.8 0.0 3.7
assign (resid   11  and name  HB )(resid   12  and name  HD*  )  1.8 0.0 3.2
assign (resid   11  and name  HB )(resid   12  and name  HG*  )  1.8 0.0 2.84
assign (resid   11  and name  HB )(resid   12  and name  HN  )  1.8 0.0 1.53
assign (resid   11  and name  HG2* )(resid   12  and name  HA  )  1.8 0.0 2.32
!OLassign (resid   11  and name  HG2* )(resid   12  and name  HD*  )  1.8 0.0 1.27
assign (resid   11  and name  HG2* )(resid   12  and name  HG*  )  1.8 0.0 3.11
assign (resid   11  and name  HG2* )(resid   12  and name  HN  )  1.8 0.0 2
assign (resid   11  and name  HG2* )(resid   14  and name  HN  )  1.8 0.0 3.15
assign (resid   11  and name  HG2* )(resid   15  and name  HB*  )  1.8 0.0 3.54
assign (resid   11  and name  HG2* )(resid   15  and name  HD21  )  1.8 0.0 2.74
assign (resid   11  and name  HG2* )(resid   15  and name  HD22  )  1.8 0.0 3.16
assign (resid   11  and name  HG2* )(resid   15  and name  HN  )  1.8 0.0 3.28
assign (resid   11  and name  HN )(resid   11  and name  HB  )  1.8 0.0 1
assign (resid   11  and name  HN )(resid   11  and name  HG2*  )  1.8 0.0 2.22
assign (resid   11  and name  HN )(resid   12  and name  HN  )  1.8 0.0 1.2
!assign (resid   11  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 3.7
assign (resid   12  and name  HA )(resid   12  and name  HD*  )  1.8 0.0 1.23
!assign (resid   12  and name  HA )(resid   12  and name  HE*  )  1.8 0.0 2.25
assign (resid   12  and name  HA )(resid   12  and name  HG*  )  1.8 0.0 1.87
assign (resid   12  and name  HA )(resid   14  and name  HN  )  1.8 0.0 2.98
assign (resid   12  and name  HA )(resid   15  and name  HB*  )  1.8 0.0 1.92
assign (resid   12  and name  HA )(resid   15  and name  HD21  )  1.8 0.0 2.27
assign (resid   12  and name  HA )(resid   15  and name  HD22  )  1.8 0.0 3.54
assign (resid   12  and name  HA )(resid   15  and name  HN  )  1.8 0.0 2.11
assign (resid   12  and name  HA )(resid   45  and name  HG1*  )  1.8 0.0 2.76
assign (resid   12  and name  HB* )(resid   12  and name  HD*  )  1.8 0.0 1.68
assign (resid   12  and name  HB* )(resid   13  and name  HN  )  1.8 0.0 2.26
assign (resid   12  and name  HB* )(resid   16  and name  HD1*  )  1.8 0.0 3.18
assign (resid   12  and name  HB1 )(resid   12  and name  HE*  )  1.8 0.0 3.14
assign (resid   12  and name  HB1 )(resid   15  and name  HB*  )  1.8 0.0 3.54
assign (resid   12  and name  HB1 )(resid   45  and name  HB  )  1.8 0.0 1.97
assign (resid   12  and name  HB1 )(resid   45  and name  HG1*  )  1.8 0.0 1.36
assign (resid   12  and name  HB1 )(resid   45  and name  HG2*  )  1.8 0.0 2.65
assign (resid   12  and name  HB2 )(resid   12  and name  HE*  )  1.8 0.0 3.14
assign (resid   12  and name  HB2 )(resid   15  and name  HB*  )  1.8 0.0 3.54
assign (resid   12  and name  HB2 )(resid   45  and name  HB  )  1.8 0.0 1.97
assign (resid   12  and name  HB2 )(resid   45  and name  HG1*  )  1.8 0.0 1.36
assign (resid   12  and name  HB2 )(resid   45  and name  HG2*  )  1.8 0.0 3.2
assign (resid   12  and name  HD* )(resid   15  and name  HB1  )  1.8 0.0 3.05
assign (resid   12  and name  HD* )(resid   15  and name  HB2  )  1.8 0.0 3.05
assign (resid   12  and name  HD* )(resid   15  and name  HD21  )  1.8 0.0 2.42
assign (resid   12  and name  HD* )(resid   15  and name  HD22  )  1.8 0.0 3.4
assign (resid   12  and name  HD* )(resid   15  and name  HN  )  1.8 0.0 3.42
!assign (resid   12  and name  HD* )(resid   42  and name  HA  )  1.8 0.0 2.85
assign (resid   12  and name  HD* )(resid   42  and name  HB*  )  1.8 0.0 2.73
assign (resid   12  and name  HD* )(resid   45  and name  HG1*  )  1.8 0.0 2.5
!assign (resid   12  and name  HE* )(resid   16  and name  HD1*  )  1.8 0.0 3.7
assign (resid   12  and name  HE* )(resid   42  and name  HA  )  1.8 0.0 2.93
assign (resid   12  and name  HE* )(resid   42  and name  HB1  )  1.8 0.0 2.07
assign (resid   12  and name  HE* )(resid   42  and name  HB2  )  1.8 0.0 2.07
assign (resid   12  and name  HE* )(resid   42  and name  HG*  )  1.8 0.0 2.76
!assign (resid   12  and name  HE* )(resid   45  and name  HG1*  )  1.8 0.0 2.87
!assign (resid   12  and name  HE* )(resid   45  and name  HG2*  )  1.8 0.0 2.9
assign (resid   12  and name  HE* )(resid   46  and name  HB*  )  1.8 0.0 3.2
!assign (resid   12  and name  HE* )(resid   46  and name  HG*  )  1.8 0.0 2.52
!assign (resid   12  and name  HE* )(resid   46  and name  HN  )  1.8 0.0 2.66
assign (resid   12  and name  HG* )(resid   12  and name  HE*  )  1.8 0.0 1.15
assign (resid   12  and name  HG* )(resid   42  and name  HA  )  1.8 0.0 1.83
assign (resid   12  and name  HG* )(resid   42  and name  HB*  )  1.8 0.0 1.69
!assign (resid   12  and name  HG* )(resid   43  and name  HN  )  1.8 0.0 3.2
assign (resid   12  and name  HG* )(resid   45  and name  HB  )  1.8 0.0 1.97
assign (resid   12  and name  HG* )(resid   45  and name  HG1*  )  1.8 0.0 2.26
assign (resid   12  and name  HG* )(resid   45  and name  HG2*  )  1.8 0.0 2.52
assign (resid   12  and name  HG* )(resid   46  and name  HB*  )  1.8 0.0 3.49
!assign (resid   12  and name  HG* )(resid   46  and name  HN  )  1.8 0.0 2.41
assign (resid   12  and name  HN )(resid   12  and name  HB1  )  1.8 0.0 1.87
assign (resid   12  and name  HN )(resid   12  and name  HB2  )  1.8 0.0 1.87
assign (resid   12  and name  HN )(resid   12  and name  HD*  )  1.8 0.0 2.63
assign (resid   12  and name  HN )(resid   12  and name  HE*  )  1.8 0.0 3.09
assign (resid   12  and name  HN )(resid   12  and name  HG*  )  1.8 0.0 1.35
assign (resid   12  and name  HN )(resid   13  and name  HN  )  1.8 0.0 1.26
assign (resid   12  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 3.7
assign (resid   12  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 3.6
assign (resid   13  and name  HA )(resid   13  and name  HD1*  )  1.8 0.0 1.05
assign (resid   13  and name  HA )(resid   13  and name  HD2*  )  1.8 0.0 2.1
assign (resid   13  and name  HA )(resid   13  and name  HG  )  1.8 0.0 2
assign (resid   13  and name  HA )(resid   15  and name  HN  )  1.8 0.0 2.89
assign (resid   13  and name  HA )(resid   16  and name  HD1*  )  1.8 0.0 1.56
assign (resid   13  and name  HA )(resid   16  and name  HG1*  )  1.8 0.0 2.82
assign (resid   13  and name  HA )(resid   16  and name  HN  )  1.8 0.0 1.97
assign (resid   13  and name  HA )(resid   28  and name  HD1*  )  1.8 0.0 2.99
assign (resid   13  and name  HA )(resid   45  and name  HA  )  1.8 0.0 3.7
assign (resid   13  and name  HA )(resid   45  and name  HG1*  )  1.8 0.0 1.41
assign (resid   13  and name  HB* )(resid   14  and name  HE*  )  1.8 0.0 2.75
assign (resid   13  and name  HB* )(resid   14  and name  HN  )  1.8 0.0 2.09
assign (resid   13  and name  HB* )(resid   21  and name  HD*  )  1.8 0.0 3.61
assign (resid   13  and name  HB* )(resid   45  and name  HG1*  )  1.8 0.0 1.34
assign (resid   13  and name  HB* )(resid   45  and name  HG2*  )  1.8 0.0 3.27
assign (resid   13  and name  HB1 )(resid   13  and name  HD1*  )  1.8 0.0 1.57
assign (resid   13  and name  HB1 )(resid   13  and name  HD2*  )  1.8 0.0 1.71
assign (resid   13  and name  HB2 )(resid   13  and name  HD1*  )  1.8 0.0 1.57
assign (resid   13  and name  HB2 )(resid   13  and name  HD2*  )  1.8 0.0 1.71
assign (resid   13  and name  HD1* )(resid   14  and name  HN  )  1.8 0.0 2.82
assign (resid   13  and name  HD1* )(resid   16  and name  HB  )  1.8 0.0 2.08
assign (resid   13  and name  HD1* )(resid   16  and name  HN  )  1.8 0.0 3.12
assign (resid   13  and name  HD1* )(resid   21  and name  HA  )  1.8 0.0 2.03
assign (resid   13  and name  HD1* )(resid   21  and name  HB*  )  1.8 0.0 2.93
assign (resid   13  and name  HD1* )(resid   21  and name  HD*  )  1.8 0.0 2.25
assign (resid   13  and name  HD1* )(resid   22  and name  HA  )  1.8 0.0 3.7
assign (resid   13  and name  HD1* )(resid   24  and name  HB*  )  1.8 0.0 1.82
assign (resid   13  and name  HD1* )(resid   24  and name  HN  )  1.8 0.0 3.47
assign (resid   13  and name  HD1* )(resid   25  and name  HA  )  1.8 0.0 2.19
assign (resid   13  and name  HD1* )(resid   25  and name  HB*  )  1.8 0.0 1.48
!assign (resid   13  and name  HD1* )(resid   25  and name  HE1  )  1.8 0.0 3.82
assign (resid   13  and name  HD1* )(resid   25  and name  HE2  )  1.8 0.0 4.35
assign (resid   13  and name  HD1* )(resid   25  and name  HN  )  1.8 0.0 1.94
!assign (resid   13  and name  HD1* )(resid   26  and name  HN  )  1.8 0.0 3.7
assign (resid   13  and name  HD1* )(resid   28  and name  HD1*  )  1.8 0.0 1.64
!assign (resid   13  and name  HD1* )(resid   45  and name  HB  )  1.8 0.0 3.52
assign (resid   13  and name  HD1* )(resid   45  and name  HG2*  )  1.8 0.0 2.86
assign (resid   13  and name  HD2* )(resid   14  and name  HE*  )  1.8 0.0 3.28
assign (resid   13  and name  HD2* )(resid   14  and name  HG*  )  1.8 0.0 2.55
assign (resid   13  and name  HD2* )(resid   14  and name  HN  )  1.8 0.0 2.93
assign (resid   13  and name  HD2* )(resid   21  and name  HA  )  1.8 0.0 3.7
assign (resid   13  and name  HD2* )(resid   21  and name  HD*  )  1.8 0.0 2.35
!assign (resid   13  and name  HD2* )(resid   25  and name  HB1  )  1.8 0.0 3.24
!assign (resid   13  and name  HD2* )(resid   25  and name  HB2  )  1.8 0.0 3.24
assign (resid   13  and name  HD2* )(resid   25  and name  HD1  )  1.8 0.0 2.84
assign (resid   13  and name  HD2* )(resid   25  and name  HD2  )  1.8 0.0 2.84
assign (resid   13  and name  HD2* )(resid   25  and name  HE1  )  1.8 0.0 2.51
assign (resid   13  and name  HD2* )(resid   25  and name  HE2  )  1.8 0.0 2.58
assign (resid   13  and name  HD2* )(resid   25  and name  HG*  )  1.8 0.0 1.87
assign (resid   13  and name  HD2* )(resid   25  and name  HN  )  1.8 0.0 3.7
assign (resid   13  and name  HD2* )(resid   28  and name  HD1*  )  1.8 0.0 2.55
assign (resid   13  and name  HD2* )(resid   40  and name  HG2*  )  1.8 0.0 3.03
assign (resid   13  and name  HD2* )(resid   45  and name  HG2*  )  1.8 0.0 2.91
assign (resid   13  and name  HG )(resid   14  and name  HN  )  1.8 0.0 2.98
assign (resid   13  and name  HG )(resid   21  and name  HD*  )  1.8 0.0 1.99
assign (resid   13  and name  HN )(resid   13  and name  HB1  )  1.8 0.0 1.12
assign (resid   13  and name  HN )(resid   13  and name  HB2  )  1.8 0.0 1.12
assign (resid   13  and name  HN )(resid   13  and name  HD1*  )  1.8 0.0 2.66
assign (resid   13  and name  HN )(resid   13  and name  HD2*  )  1.8 0.0 2.48
assign (resid   13  and name  HN )(resid   13  and name  HG  )  1.8 0.0 2.82
assign (resid   13  and name  HN )(resid   14  and name  HA  )  1.8 0.0 3.7
assign (resid   13  and name  HN )(resid   14  and name  HN  )  1.8 0.0 1.31
assign (resid   13  and name  HN )(resid   15  and name  HN  )  1.8 0.0 2.67
assign (resid   13  and name  HN )(resid   16  and name  HD1*  )  1.8 0.0 4.02
assign (resid   13  and name  HN )(resid   45  and name  HB  )  1.8 0.0 3.25
assign (resid   13  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 1.64
assign (resid   13  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 2.15
assign (resid   14  and name  HA )(resid   14  and name  HD*  )  1.8 0.0 2.43
assign (resid   14  and name  HA )(resid   14  and name  HG*  )  1.8 0.0 1.53
!assign (resid   14  and name  HA )(resid   15  and name  HA  )  1.8 0.0 3.22
assign (resid   14  and name  HA )(resid   16  and name  HN  )  1.8 0.0 2.42
assign (resid   14  and name  HA )(resid   21  and name  HD*  )  1.8 0.0 1.94
assign (resid   14  and name  HB* )(resid   14  and name  HE*  )  1.8 0.0 2.69
!assign (resid   14  and name  HB* )(resid   15  and name  HA  )  1.8 0.0 2.6
assign (resid   14  and name  HB* )(resid   15  and name  HN  )  1.8 0.0 1.72
assign (resid   14  and name  HD* )(resid   15  and name  HN  )  1.8 0.0 3.7
assign (resid   14  and name  HG* )(resid   14  and name  HE*  )  1.8 0.0 1.69
assign (resid   14  and name  HG* )(resid   15  and name  HN  )  1.8 0.0 2.9
assign (resid   14  and name  HN )(resid   14  and name  HB*  )  1.8 0.0 1.04
assign (resid   14  and name  HN )(resid   14  and name  HD*  )  1.8 0.0 2.58
assign (resid   14  and name  HN )(resid   14  and name  HE*  )  1.8 0.0 3.1
assign (resid   14  and name  HN )(resid   14  and name  HG*  )  1.8 0.0 1.45
assign (resid   14  and name  HN )(resid   15  and name  HB*  )  1.8 0.0 3.06
assign (resid   14  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 3.48
!assign (resid   15  and name  HA )(resid   15  and name  HD21  )  1.8 0.0 2.65
!assign (resid   15  and name  HA )(resid   15  and name  HD22  )  1.8 0.0 3.08
!assign (resid   15  and name  HA )(resid   16  and name  HA  )  1.8 0.0 3.1
assign (resid   15  and name  HB* )(resid   16  and name  HN  )  1.8 0.0 1.79
assign (resid   15  and name  HB* )(resid   45  and name  HG1*  )  1.8 0.0 3.34
assign (resid   15  and name  HN )(resid   15  and name  HB*  )  1.8 0.0 0.99
assign (resid   15  and name  HN )(resid   16  and name  HD1*  )  1.8 0.0 3.51
assign (resid   15  and name  HN )(resid   16  and name  HG1*  )  1.8 0.0 3.17
assign (resid   15  and name  HN )(resid   16  and name  HN  )  1.8 0.0 1.01
assign (resid   15  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 3.18
assign (resid   16  and name  HA )(resid   16  and name  HD1*  )  1.8 0.0 2.62
assign (resid   16  and name  HA )(resid   16  and name  HG11  )  1.8 0.0 1.92
assign (resid   16  and name  HA )(resid   16  and name  HG12  )  1.8 0.0 1.92
assign (resid   16  and name  HA )(resid   16  and name  HG2*  )  1.8 0.0 1.55
assign (resid   16  and name  HA )(resid   17  and name  HD1  )  1.8 0.0 1.36
assign (resid   16  and name  HA )(resid   17  and name  HD2  )  1.8 0.0 1.36
assign (resid   16  and name  HB )(resid   16  and name  HD1*  )  1.8 0.0 1.49
assign (resid   16  and name  HB )(resid   21  and name  HA  )  1.8 0.0 2.39
assign (resid   16  and name  HB )(resid   21  and name  HG*  )  1.8 0.0 1.73
assign (resid   16  and name  HD1* )(resid   21  and name  HA  )  1.8 0.0 2.47
assign (resid   16  and name  HD1* )(resid   24  and name  HB*  )  1.8 0.0 1.16
assign (resid   16  and name  HD1* )(resid   24  and name  HN  )  1.8 0.0 3.37
assign (resid   16  and name  HD1* )(resid   25  and name  HN  )  1.8 0.0 3.6
assign (resid   16  and name  HD1* )(resid   45  and name  HA  )  1.8 0.0 2.76
assign (resid   16  and name  HD1* )(resid   45  and name  HB  )  1.8 0.0 2.94
assign (resid   16  and name  HD1* )(resid   45  and name  HG1*  )  1.8 0.0 0.88
assign (resid   16  and name  HD1* )(resid   45  and name  HG2*  )  1.8 0.0 2.63
assign (resid   16  and name  HD1* )(resid   46  and name  HA  )  1.8 0.0 3.75
assign (resid   16  and name  HD1* )(resid   49  and name  HA  )  1.8 0.0 2.59
assign (resid   16  and name  HD1* )(resid   49  and name  HB*  )  1.8 0.0 2.17
assign (resid   16  and name  HD1* )(resid   49  and name  HD1  )  1.8 0.0 3.42
assign (resid   16  and name  HD1* )(resid   49  and name  HD2  )  1.8 0.0 3.42
assign (resid   16  and name  HD1* )(resid   49  and name  HG*  )  1.8 0.0 1.68
assign (resid   16  and name  HD1* )(resid   49  and name  HN  )  1.8 0.0 2.54
assign (resid   16  and name  HG1* )(resid   17  and name  HD1  )  1.8 0.0 2.9
assign (resid   16  and name  HG1* )(resid   17  and name  HD2  )  1.8 0.0 2.9
assign (resid   16  and name  HG1* )(resid   21  and name  HD*  )  1.8 0.0 3.26
assign (resid   16  and name  HG1* )(resid   49  and name  HD1  )  1.8 0.0 3.7
assign (resid   16  and name  HG1* )(resid   49  and name  HD2  )  1.8 0.0 3.7
assign (resid   16  and name  HG2* )(resid   16  and name  HG11  )  1.8 0.0 2.22
assign (resid   16  and name  HG2* )(resid   16  and name  HG12  )  1.8 0.0 2.22
assign (resid   16  and name  HG2* )(resid   17  and name  HA  )  1.8 0.0 3.22
assign (resid   16  and name  HG2* )(resid   17  and name  HD1  )  1.8 0.0 1.77
assign (resid   16  and name  HG2* )(resid   17  and name  HD2  )  1.8 0.0 1.77
assign (resid   16  and name  HG2* )(resid   20  and name  HB*  )  1.8 0.0 1.26
assign (resid   16  and name  HG2* )(resid   20  and name  HN  )  1.8 0.0 2.98
assign (resid   16  and name  HG2* )(resid   21  and name  HA  )  1.8 0.0 1.55
assign (resid   16  and name  HG2* )(resid   21  and name  HB*  )  1.8 0.0 3.18
assign (resid   16  and name  HG2* )(resid   21  and name  HD*  )  1.8 0.0 3.29
assign (resid   16  and name  HG2* )(resid   21  and name  HG*  )  1.8 0.0 2.12
assign (resid   16  and name  HG2* )(resid   21  and name  HN  )  1.8 0.0 2.67
assign (resid   16  and name  HG2* )(resid   24  and name  HB*  )  1.8 0.0 1.57
assign (resid   16  and name  HG2* )(resid   24  and name  HN  )  1.8 0.0 3.58
assign (resid   16  and name  HG2* )(resid   25  and name  HN  )  1.8 0.0 3.29
assign (resid   16  and name  HG2* )(resid   49  and name  HB*  )  1.8 0.0 2.5
assign (resid   16  and name  HN )(resid   16  and name  HB  )  1.8 0.0 0.89
assign (resid   16  and name  HN )(resid   16  and name  HD1*  )  1.8 0.0 2.47
assign (resid   16  and name  HN )(resid   16  and name  HG11  )  1.8 0.0 2.05
assign (resid   16  and name  HN )(resid   16  and name  HG12  )  1.8 0.0 2.05
assign (resid   16  and name  HN )(resid   16  and name  HG2*  )  1.8 0.0 2.27
!assign (resid   16  and name  HN )(resid   17  and name  HD1  )  1.8 0.0 3.4
!assign (resid   16  and name  HN )(resid   17  and name  HD2  )  1.8 0.0 3.4
assign (resid   16  and name  HN )(resid   21  and name  HD*  )  1.8 0.0 2.87
assign (resid   16  and name  HN )(resid   21  and name  HG*  )  1.8 0.0 3.05
assign (resid   16  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 3.03
!assign (resid   17  and name  HA )(resid   18  and name  HA  )  1.8 0.0 2.74
!assign (resid   17  and name  HA )(resid   18  and name  HB1  )  1.8 0.0 3.29
!assign (resid   17  and name  HA )(resid   18  and name  HB2  )  1.8 0.0 3.29
assign (resid   17  and name  HA )(resid   18  and name  HN  )  1.8 0.0 1.37
assign (resid   17  and name  HA )(resid   20  and name  HB*  )  1.8 0.0 3.48
assign (resid   17  and name  HA )(resid   20  and name  HN  )  1.8 0.0 3.22
assign (resid   17  and name  HB* )(resid   18  and name  HN  )  1.8 0.0 2.24
assign (resid   17  and name  HB* )(resid   19  and name  HD*  )  1.8 0.0 2.56
assign (resid   17  and name  HB* )(resid   19  and name  HN  )  1.8 0.0 3.28
assign (resid   17  and name  HB* )(resid   20  and name  HB*  )  1.8 0.0 2.48
assign (resid   17  and name  HB1 )(resid   20  and name  HN  )  1.8 0.0 3.19
assign (resid   17  and name  HB2 )(resid   20  and name  HN  )  1.8 0.0 3.19
!assign (resid   17  and name  HD* )(resid   19  and name  HD*  )  1.8 0.0 3.56
!assign (resid   17  and name  HD* )(resid   20  and name  HA  )  1.8 0.0 3.7
assign (resid   17  and name  HD1 )(resid   20  and name  HB*  )  1.8 0.0 3.13
assign (resid   17  and name  HD1 )(resid   49  and name  HG*  )  1.8 0.0 3.66
assign (resid   17  and name  HD2 )(resid   20  and name  HB*  )  1.8 0.0 3.13
assign (resid   17  and name  HD2 )(resid   49  and name  HG*  )  1.8 0.0 3.66
assign (resid   17  and name  HG* )(resid   18  and name  HN  )  1.8 0.0 3.2
!assign (resid   17  and name  HG* )(resid   19  and name  HD*  )  1.8 0.0 2.44
assign (resid   17  and name  HG* )(resid   20  and name  HB*  )  1.8 0.0 2.32
assign (resid   17  and name  HG* )(resid   20  and name  HN  )  1.8 0.0 3.2
!assign (resid   18  and name  HA )(resid   18  and name  HE*  )  1.8 0.0 3.02
assign (resid   18  and name  HA )(resid   20  and name  HN  )  1.8 0.0 3.63
!assign (resid   18  and name  HA )(resid   21  and name  HA  )  1.8 0.0 2.9
assign (resid   18  and name  HA )(resid   21  and name  HB1  )  1.8 0.0 2.41
assign (resid   18  and name  HA )(resid   21  and name  HB2  )  1.8 0.0 2.41
assign (resid   18  and name  HA )(resid   21  and name  HG*  )  1.8 0.0 2.6
assign (resid   18  and name  HA )(resid   21  and name  HN  )  1.8 0.0 3.13
!assign (resid   18  and name  HB* )(resid   19  and name  HA  )  1.8 0.0 3.6
assign (resid   18  and name  HB* )(resid   19  and name  HN  )  1.8 0.0 2.52
assign (resid   18  and name  HB* )(resid   21  and name  HB1  )  1.8 0.0 3.68
assign (resid   18  and name  HB* )(resid   21  and name  HB2  )  1.8 0.0 3.68
assign (resid   18  and name  HD* )(resid   19  and name  HA  )  1.8 0.0 3.57
assign (resid   18  and name  HD* )(resid   19  and name  HN  )  1.8 0.0 2.07
assign (resid   18  and name  HE* )(resid   19  and name  HA  )  1.8 0.0 2.68
assign (resid   18  and name  HN )(resid   18  and name  HB1  )  1.8 0.0 1.89
assign (resid   18  and name  HN )(resid   18  and name  HB2  )  1.8 0.0 1.89
assign (resid   18  and name  HN )(resid   19  and name  HN  )  1.8 0.0 3.54
assign (resid   18  and name  HN )(resid   20  and name  HN  )  1.8 0.0 2.85
assign (resid   19  and name  HA )(resid   19  and name  HD*  )  1.8 0.0 3.7
!assign (resid   19  and name  HA )(resid   19  and name  HE*  )  1.8 0.0 3.21
assign (resid   19  and name  HA )(resid   20  and name  HB*  )  1.8 0.0 3.27
assign (resid   19  and name  HA )(resid   21  and name  HN  )  1.8 0.0 2.81
!assign (resid   19  and name  HB* )(resid   20  and name  HA  )  1.8 0.0 3.33
assign (resid   19  and name  HB* )(resid   20  and name  HB*  )  1.8 0.0 3.59
assign (resid   19  and name  HB1 )(resid   20  and name  HN  )  1.8 0.0 3.45
assign (resid   19  and name  HB2 )(resid   20  and name  HN  )  1.8 0.0 3.45
!assign (resid   19  and name  HD* )(resid   20  and name  HB*  )  1.8 0.0 2.74
!assign (resid   19  and name  HE* )(resid   20  and name  HA  )  1.8 0.0 3.5
!assign (resid   19  and name  HE* )(resid   20  and name  HB*  )  1.8 0.0 2.76
assign (resid   19  and name  HN )(resid   20  and name  HN  )  1.8 0.0 2.03
assign (resid   19  and name  HN )(resid   21  and name  HN  )  1.8 0.0 3.02
!assign (resid   20  and name  HA )(resid   21  and name  HA  )  1.8 0.0 3.55
!assign (resid   20  and name  HA )(resid   21  and name  HG*  )  1.8 0.0 3.7
assign (resid   20  and name  HA )(resid   22  and name  HB*  )  1.8 0.0 3.7
assign (resid   20  and name  HA )(resid   23  and name  HB*  )  1.8 0.0 2.15
!assign (resid   20  and name  HA )(resid   23  and name  HE21  )  1.8 0.0 3.65
!assign (resid   20  and name  HA )(resid   23  and name  HE22  )  1.8 0.0 3.65
assign (resid   20  and name  HA )(resid   23  and name  HG*  )  1.8 0.0 2.76
assign (resid   20  and name  HA )(resid   23  and name  HN  )  1.8 0.0 2.67
!assign (resid   20  and name  HA )(resid   49  and name  HG*  )  1.8 0.0 3.7
assign (resid   20  and name  HB* )(resid   21  and name  HN  )  1.8 0.0 1.99
assign (resid   20  and name  HB* )(resid   23  and name  HE2*  )  1.8 0.0 3.54
!assign (resid   20  and name  HB* )(resid   23  and name  HG*  )  1.8 0.0 2.42
assign (resid   20  and name  HB* )(resid   23  and name  HN  )  1.8 0.0 3.62
assign (resid   20  and name  HB* )(resid   24  and name  HA  )  1.8 0.0 3.7
assign (resid   20  and name  HB* )(resid   24  and name  HB*  )  1.8 0.0 1.98
assign (resid   20  and name  HB* )(resid   24  and name  HN  )  1.8 0.0 2.35
!assign (resid   20  and name  HB* )(resid   49  and name  HB*  )  1.8 0.0 2.59
!assign (resid   20  and name  HB* )(resid   49  and name  HD1  )  1.8 0.0 3.39
!assign (resid   20  and name  HB* )(resid   49  and name  HD2  )  1.8 0.0 3.39
assign (resid   20  and name  HB* )(resid   52  and name  HB1  )  1.8 0.0 3.31
assign (resid   20  and name  HB* )(resid   52  and name  HB2  )  1.8 0.0 3.31
!assign (resid   20  and name  HB* )(resid   53  and name  HA*  )  1.8 0.0 3.7
assign (resid   20  and name  HN )(resid   20  and name  HB*  )  1.8 0.0 1.68
assign (resid   20  and name  HN )(resid   21  and name  HA  )  1.8 0.0 3.65
!assign (resid   20  and name  HN )(resid   21  and name  HD*  )  1.8 0.0 3.7
!assign (resid   20  and name  HN )(resid   21  and name  HG*  )  1.8 0.0 3.4
assign (resid   20  and name  HN )(resid   21  and name  HN  )  1.8 0.0 3.2
assign (resid   21  and name  HA )(resid   21  and name  HD*  )  1.8 0.0 2.57
assign (resid   21  and name  HA )(resid   21  and name  HG*  )  1.8 0.0 1.71
!assign (resid   21  and name  HA )(resid   22  and name  HA  )  1.8 0.0 3.23
assign (resid   21  and name  HA )(resid   24  and name  HB*  )  1.8 0.0 1.6
assign (resid   21  and name  HA )(resid   24  and name  HN  )  1.8 0.0 2.98
assign (resid   21  and name  HA )(resid   25  and name  HN  )  1.8 0.0 2.59
!assign (resid   21  and name  HB* )(resid   22  and name  HA  )  1.8 0.0 2.82
assign (resid   21  and name  HB* )(resid   23  and name  HN  )  1.8 0.0 3.44
assign (resid   21  and name  HB1 )(resid   21  and name  HD*  )  1.8 0.0 1.89
assign (resid   21  and name  HB1 )(resid   22  and name  HN  )  1.8 0.0 2.79
assign (resid   21  and name  HB2 )(resid   21  and name  HD*  )  1.8 0.0 1.89
assign (resid   21  and name  HB2 )(resid   22  and name  HN  )  1.8 0.0 2.79
!assign (resid   21  and name  HD* )(resid   24  and name  HB*  )  1.8 0.0 3.28
assign (resid   21  and name  HN )(resid   21  and name  HB1  )  1.8 0.0 2.17
assign (resid   21  and name  HN )(resid   21  and name  HB2  )  1.8 0.0 2.17
assign (resid   21  and name  HN )(resid   21  and name  HD*  )  1.8 0.0 3.13
assign (resid   21  and name  HN )(resid   21  and name  HG*  )  1.8 0.0 2.74
assign (resid   21  and name  HN )(resid   22  and name  HN  )  1.8 0.0 2.48
assign (resid   21  and name  HN )(resid   24  and name  HB*  )  1.8 0.0 3.31
assign (resid   21  and name  HN )(resid   24  and name  HN  )  1.8 0.0 3.4
assign (resid   22  and name  HA )(resid   25  and name  HB1  )  1.8 0.0 2.34
assign (resid   22  and name  HA )(resid   25  and name  HB2  )  1.8 0.0 2.34
assign (resid   22  and name  HA )(resid   25  and name  HD*  )  1.8 0.0 3.11
assign (resid   22  and name  HA )(resid   25  and name  HN  )  1.8 0.0 2.34
assign (resid   22  and name  HA )(resid   26  and name  HB*  )  1.8 0.0 3.31
assign (resid   22  and name  HA )(resid   26  and name  HN  )  1.8 0.0 2.72
assign (resid   22  and name  HB* )(resid   23  and name  HB*  )  1.8 0.0 2.99
assign (resid   22  and name  HB* )(resid   23  and name  HN  )  1.8 0.0 1.96
assign (resid   22  and name  HB* )(resid   25  and name  HN  )  1.8 0.0 3.7
!assign (resid   22  and name  HB* )(resid   26  and name  HB*  )  1.8 0.0 2.93
assign (resid   22  and name  HN )(resid   22  and name  HB*  )  1.8 0.0 1.56
assign (resid   22  and name  HN )(resid   23  and name  HB*  )  1.8 0.0 3.13
assign (resid   22  and name  HN )(resid   23  and name  HN  )  1.8 0.0 2.1
assign (resid   23  and name  HA )(resid   23  and name  HE2*  )  1.8 0.0 3.4
assign (resid   23  and name  HA )(resid   23  and name  HG*  )  1.8 0.0 1.36
assign (resid   23  and name  HA )(resid   26  and name  HB*  )  1.8 0.0 3.2
assign (resid   23  and name  HA )(resid   26  and name  HN  )  1.8 0.0 2.3
assign (resid   23  and name  HB* )(resid   24  and name  HB*  )  1.8 0.0 2.22
assign (resid   23  and name  HB* )(resid   24  and name  HN  )  1.8 0.0 1.24
assign (resid   23  and name  HB* )(resid   26  and name  HB*  )  1.8 0.0 3.2
assign (resid   23  and name  HG* )(resid   23  and name  HE2*  )  1.8 0.0 1.43
assign (resid   23  and name  HG* )(resid   23  and name  HE21  )  1.8 0.0 2.19
assign (resid   23  and name  HG* )(resid   23  and name  HE22  )  1.8 0.0 2.19
assign (resid   23  and name  HG* )(resid   24  and name  HA  )  1.8 0.0 3.2
!assign (resid   23  and name  HG* )(resid   24  and name  HB*  )  1.8 0.0 2.37
assign (resid   23  and name  HG* )(resid   24  and name  HN  )  1.8 0.0 2.34
assign (resid   23  and name  HG* )(resid   26  and name  HB*  )  1.8 0.0 2.69
assign (resid   23  and name  HG* )(resid   26  and name  HN  )  1.8 0.0 3.5
assign (resid   23  and name  HG* )(resid   27  and name  HN  )  1.8 0.0 3.58
assign (resid   23  and name  HG* )(resid   52  and name  HD*  )  1.8 0.0 2.87
assign (resid   23  and name  HG* )(resid   52  and name  HE*  )  1.8 0.0 2.83
assign (resid   23  and name  HN )(resid   23  and name  HB*  )  1.8 0.0 1.29
assign (resid   23  and name  HN )(resid   23  and name  HG*  )  1.8 0.0 2.26
assign (resid   23  and name  HN )(resid   24  and name  HB*  )  1.8 0.0 3.1
assign (resid   23  and name  HN )(resid   25  and name  HB*  )  1.8 0.0 3.42
assign (resid   23  and name  HN )(resid   26  and name  HB*  )  1.8 0.0 3.7
assign (resid   24  and name  HA )(resid   26  and name  HB*  )  1.8 0.0 2.94
assign (resid   24  and name  HA )(resid   27  and name  HB1  )  1.8 0.0 2.54
assign (resid   24  and name  HA )(resid   27  and name  HB2  )  1.8 0.0 2.54
assign (resid   24  and name  HA )(resid   27  and name  HN  )  1.8 0.0 1.74
assign (resid   24  and name  HA )(resid   28  and name  HD1*  )  1.8 0.0 2.69
assign (resid   24  and name  HA )(resid   28  and name  HG1*  )  1.8 0.0 3.64
assign (resid   24  and name  HA )(resid   28  and name  HN  )  1.8 0.0 2.98
assign (resid   24  and name  HA )(resid   48  and name  HB*  )  1.8 0.0 2.4
!assign (resid   24  and name  HA )(resid   49  and name  HA  )  1.8 0.0 2.59
assign (resid   24  and name  HA )(resid   52  and name  HD*  )  1.8 0.0 3.3
assign (resid   24  and name  HA )(resid   52  and name  HE*  )  1.8 0.0 2.42
assign (resid   24  and name  HB* )(resid   25  and name  HN  )  1.8 0.0 1.33
assign (resid   24  and name  HB* )(resid   26  and name  HN  )  1.8 0.0 2.95
assign (resid   24  and name  HB* )(resid   27  and name  HB1  )  1.8 0.0 3.52
assign (resid   24  and name  HB* )(resid   27  and name  HB2  )  1.8 0.0 3.52
assign (resid   24  and name  HB* )(resid   27  and name  HN  )  1.8 0.0 3.69
assign (resid   24  and name  HB* )(resid   28  and name  HG1*  )  1.8 0.0 3.02
assign (resid   24  and name  HB* )(resid   28  and name  HN  )  1.8 0.0 2.77
assign (resid   24  and name  HB* )(resid   31  and name  HD1*  )  1.8 0.0 3.7
assign (resid   24  and name  HB* )(resid   45  and name  HG1*  )  1.8 0.0 3.2
assign (resid   24  and name  HB* )(resid   49  and name  HB*  )  1.8 0.0 3.2
assign (resid   24  and name  HB* )(resid   49  and name  HN  )  1.8 0.0 3.36
!assign (resid   24  and name  HB* )(resid   50  and name  HN  )  1.8 0.0 3.7
assign (resid   24  and name  HB* )(resid   52  and name  HD*  )  1.8 0.0 3.53
assign (resid   24  and name  HB* )(resid   52  and name  HE*  )  1.8 0.0 2.77
assign (resid   24  and name  HN )(resid   24  and name  HB*  )  1.8 0.0 0.98
assign (resid   24  and name  HN )(resid   25  and name  HN  )  1.8 0.0 1.31
assign (resid   24  and name  HN )(resid   26  and name  HN  )  1.8 0.0 2.55
assign (resid   24  and name  HN )(resid   52  and name  HE*  )  1.8 0.0 3.41
assign (resid   25  and name  HA )(resid   25  and name  HD*  )  1.8 0.0 2.36
assign (resid   25  and name  HA )(resid   25  and name  HG*  )  1.8 0.0 1.35
assign (resid   25  and name  HA )(resid   28  and name  HB  )  1.8 0.0 1.8
assign (resid   25  and name  HA )(resid   28  and name  HD1*  )  1.8 0.0 1.4
assign (resid   25  and name  HA )(resid   28  and name  HG1*  )  1.8 0.0 3.7
assign (resid   25  and name  HA )(resid   28  and name  HG2*  )  1.8 0.0 2.4
assign (resid   25  and name  HA )(resid   28  and name  HN  )  1.8 0.0 2
assign (resid   25  and name  HA )(resid   29  and name  HG*  )  1.8 0.0 3.33
!assign (resid   25  and name  HA )(resid   45  and name  HA  )  1.8 0.0 3.7
assign (resid   25  and name  HB* )(resid   25  and name  HD*  )  1.8 0.0 1.27
!assign (resid   25  and name  HB* )(resid   26  and name  HA  )  1.8 0.0 2.29
assign (resid   25  and name  HB* )(resid   26  and name  HB*  )  1.8 0.0 2.33
assign (resid   25  and name  HB1 )(resid   25  and name  HD1  )  1.8 0.0 1.72
assign (resid   25  and name  HB1 )(resid   25  and name  HD2  )  1.8 0.0 1.72
assign (resid   25  and name  HB1 )(resid   25  and name  HE1  )  1.8 0.0 3.04
assign (resid   25  and name  HB1 )(resid   25  and name  HE2  )  1.8 0.0 3.5
assign (resid   25  and name  HB1 )(resid   26  and name  HN  )  1.8 0.0 3.2
assign (resid   25  and name  HB2 )(resid   25  and name  HD1  )  1.8 0.0 1.72
assign (resid   25  and name  HB2 )(resid   25  and name  HD2  )  1.8 0.0 1.72
assign (resid   25  and name  HB2 )(resid   25  and name  HE1  )  1.8 0.0 3.04
assign (resid   25  and name  HB2 )(resid   25  and name  HE2  )  1.8 0.0 3.5
assign (resid   25  and name  HB2 )(resid   26  and name  HN  )  1.8 0.0 3.2
assign (resid   25  and name  HD* )(resid   26  and name  HN  )  1.8 0.0 3.44
!assign (resid   25  and name  HD* )(resid   29  and name  HG*  )  1.8 0.0 2.79
!assign (resid   25  and name  HE2 )(resid   28  and name  HD1*  )  1.8 0.0 3.7
assign (resid   25  and name  HG* )(resid   25  and name  HE1  )  1.8 0.0 2.32
assign (resid   25  and name  HG* )(resid   25  and name  HE2  )  1.8 0.0 2.47
assign (resid   25  and name  HG* )(resid   26  and name  HN  )  1.8 0.0 3.13
assign (resid   25  and name  HG* )(resid   28  and name  HD1*  )  1.8 0.0 2.67
assign (resid   25  and name  HG* )(resid   29  and name  HG*  )  1.8 0.0 2.29
assign (resid   25  and name  HG* )(resid   29  and name  HN  )  1.8 0.0 2.52
assign (resid   25  and name  HN )(resid   25  and name  HB1  )  1.8 0.0 1.45
assign (resid   25  and name  HN )(resid   25  and name  HB2  )  1.8 0.0 1.45
assign (resid   25  and name  HN )(resid   25  and name  HD*  )  1.8 0.0 2.93
assign (resid   25  and name  HN )(resid   25  and name  HG*  )  1.8 0.0 2.1
assign (resid   25  and name  HN )(resid   26  and name  HA  )  1.8 0.0 3.7
assign (resid   25  and name  HN )(resid   26  and name  HB*  )  1.8 0.0 2.75
assign (resid   25  and name  HN )(resid   26  and name  HN  )  1.8 0.0 1.49
assign (resid   25  and name  HN )(resid   27  and name  HN  )  1.8 0.0 2.7
assign (resid   25  and name  HN )(resid   28  and name  HD1*  )  1.8 0.0 3.15
assign (resid   26  and name  HA )(resid   28  and name  HN  )  1.8 0.0 3.52
assign (resid   26  and name  HA )(resid   29  and name  HB1  )  1.8 0.0 3.7
assign (resid   26  and name  HA )(resid   29  and name  HB2  )  1.8 0.0 3.7
assign (resid   26  and name  HA )(resid   29  and name  HG*  )  1.8 0.0 2.64
!assign (resid   26  and name  HB* )(resid   27  and name  HB*  )  1.8 0.0 2.37
!assign (resid   26  and name  HB* )(resid   27  and name  HD*  )  1.8 0.0 3.54
assign (resid   26  and name  HB* )(resid   27  and name  HN  )  1.8 0.0 1.16
assign (resid   26  and name  HB* )(resid   28  and name  HN  )  1.8 0.0 3.1
assign (resid   26  and name  HB* )(resid   29  and name  HB*  )  1.8 0.0 3.5
assign (resid   26  and name  HB* )(resid   30  and name  HN  )  1.8 0.0 3.7
assign (resid   26  and name  HN )(resid   26  and name  HB*  )  1.8 0.0 0.9
assign (resid   26  and name  HN )(resid   27  and name  HA  )  1.8 0.0 3.7
assign (resid   26  and name  HN )(resid   27  and name  HN  )  1.8 0.0 1.34
assign (resid   26  and name  HN )(resid   28  and name  HN  )  1.8 0.0 2.73
assign (resid   26  and name  HN )(resid   29  and name  HN  )  1.8 0.0 3.7
assign (resid   27  and name  HA )(resid   27  and name  HD1  )  1.8 0.0 3.2
assign (resid   27  and name  HA )(resid   27  and name  HD2  )  1.8 0.0 3.2
assign (resid   27  and name  HA )(resid   27  and name  HG*  )  1.8 0.0 1.93
assign (resid   27  and name  HA )(resid   29  and name  HN  )  1.8 0.0 3.64
assign (resid   27  and name  HA )(resid   30  and name  HB*  )  1.8 0.0 1.69
assign (resid   27  and name  HA )(resid   30  and name  HE21  )  1.8 0.0 3.7
assign (resid   27  and name  HA )(resid   30  and name  HN  )  1.8 0.0 2.01
!assign (resid   27  and name  HA )(resid   31  and name  HD1*  )  1.8 0.0 3.03
assign (resid   27  and name  HA )(resid   31  and name  HG  )  1.8 0.0 2.62
assign (resid   27  and name  HA )(resid   31  and name  HN  )  1.8 0.0 2.76
assign (resid   27  and name  HB* )(resid   27  and name  HD1  )  1.8 0.0 2.36
assign (resid   27  and name  HB* )(resid   27  and name  HD2  )  1.8 0.0 2.36
assign (resid   27  and name  HB1 )(resid   28  and name  HN  )  1.8 0.0 2.54
assign (resid   27  and name  HB1 )(resid   31  and name  HD1*  )  1.8 0.0 2.98
assign (resid   27  and name  HB1 )(resid   52  and name  HE*  )  1.8 0.0 3.64
assign (resid   27  and name  HB2 )(resid   28  and name  HN  )  1.8 0.0 2.54
assign (resid   27  and name  HB2 )(resid   31  and name  HD1*  )  1.8 0.0 2.98
assign (resid   27  and name  HB2 )(resid   52  and name  HE*  )  1.8 0.0 3.64
assign (resid   27  and name  HD* )(resid   31  and name  HD1*  )  1.8 0.0 3.2
!assign (resid   27  and name  HD* )(resid   31  and name  HG  )  1.8 0.0 2.84
!assign (resid   27  and name  HD1 )(resid   30  and name  HB*  )  1.8 0.0 2.82
!assign (resid   27  and name  HD1 )(resid   31  and name  HD2*  )  1.8 0.0 2.97
!assign (resid   27  and name  HD2 )(resid   30  and name  HB*  )  1.8 0.0 2.82
!assign (resid   27  and name  HD2 )(resid   31  and name  HD2*  )  1.8 0.0 3.97
assign (resid   27  and name  HG1 )(resid   52  and name  HE*  )  1.8 0.0 3.48
assign (resid   27  and name  HG2 )(resid   52  and name  HE*  )  1.8 0.0 3.48
assign (resid   27  and name  HN )(resid   27  and name  HB1  )  1.8 0.0 1.86
assign (resid   27  and name  HN )(resid   27  and name  HB2  )  1.8 0.0 1.86
!assign (resid   27  and name  HN )(resid   27  and name  HD1  )  1.8 0.0 3.31
!assign (resid   27  and name  HN )(resid   27  and name  HD2  )  1.8 0.0 4.31
assign (resid   27  and name  HN )(resid   27  and name  HG1  )  1.8 0.0 2.97
assign (resid   27  and name  HN )(resid   27  and name  HG2  )  1.8 0.0 2.97
assign (resid   27  and name  HN )(resid   28  and name  HB  )  1.8 0.0 3.53
!assign (resid   27  and name  HN )(resid   28  and name  HD1*  )  1.8 0.0 3.05
assign (resid   27  and name  HN )(resid   28  and name  HG11  )  1.8 0.0 3.7
!assign (resid   27  and name  HN )(resid   28  and name  HG12  )  1.8 0.0 3.7
assign (resid   27  and name  HN )(resid   28  and name  HN  )  1.8 0.0 1.37
assign (resid   27  and name  HN )(resid   48  and name  HB*  )  1.8 0.0 2.75
assign (resid   28  and name  HA )(resid   28  and name  HG1*  )  1.8 0.0 1.69
assign (resid   28  and name  HA )(resid   28  and name  HG2*  )  1.8 0.0 1.41
assign (resid   28  and name  HA )(resid   30  and name  HN  )  1.8 0.0 2.74
assign (resid   28  and name  HA )(resid   31  and name  HB*  )  1.8 0.0 1.52
assign (resid   28  and name  HA )(resid   31  and name  HD1*  )  1.8 0.0 1.24
!assign (resid   28  and name  HA )(resid   31  and name  HD2*  )  1.8 0.0 2.46
assign (resid   28  and name  HA )(resid   31  and name  HG  )  1.8 0.0 1.99
assign (resid   28  and name  HA )(resid   31  and name  HN  )  1.8 0.0 2.07
assign (resid   28  and name  HA )(resid   32  and name  HN  )  1.8 0.0 3.66
!assign (resid   28  and name  HA )(resid   40  and name  HG2*  )  1.8 0.0 3.7
assign (resid   28  and name  HA )(resid   44  and name  HB*  )  1.8 0.0 1.98
!assign (resid   28  and name  HA )(resid   44  and name  HD1*  )  1.8 0.0 3.7
!assign (resid   28  and name  HA )(resid   44  and name  HD2*  )  1.8 0.0 2
!assign (resid   28  and name  HA )(resid   44  and name  HG  )  1.8 0.0 2.81
assign (resid   28  and name  HA )(resid   48  and name  HA  )  1.8 0.0 3.7
assign (resid   28  and name  HA )(resid   48  and name  HB*  )  1.8 0.0 1.63
assign (resid   28  and name  HB )(resid   28  and name  HD1*  )  1.8 0.0 1.28
assign (resid   28  and name  HB )(resid   29  and name  HN  )  1.8 0.0 1.14
assign (resid   28  and name  HB )(resid   40  and name  HG1*  )  1.8 0.0 3.56
assign (resid   28  and name  HB )(resid   40  and name  HG2*  )  1.8 0.0 3.71
assign (resid   28  and name  HB )(resid   48  and name  HB*  )  1.8 0.0 2.56
!assign (resid   28  and name  HD1* )(resid   29  and name  HN  )  1.8 0.0 2.57
assign (resid   28  and name  HD1* )(resid   40  and name  HG2*  )  1.8 0.0 2.78
assign (resid   28  and name  HD1* )(resid   45  and name  HA  )  1.8 0.0 1.28
!assign (resid   28  and name  HD1* )(resid   45  and name  HB  )  1.8 0.0 2.31
assign (resid   28  and name  HD1* )(resid   45  and name  HG1*  )  1.8 0.0 1.61
assign (resid   28  and name  HD1* )(resid   45  and name  HG2*  )  1.8 0.0 1.55
assign (resid   28  and name  HD1* )(resid   46  and name  HN  )  1.8 0.0 3.7
assign (resid   28  and name  HD1* )(resid   48  and name  HB*  )  1.8 0.0 1.67
!assign (resid   28  and name  HD1* )(resid   49  and name  HA  )  1.8 0.0 3.7
assign (resid   28  and name  HG1* )(resid   31  and name  HG  )  1.8 0.0 3.27
assign (resid   28  and name  HG1* )(resid   45  and name  HA  )  1.8 0.0 1.68
assign (resid   28  and name  HG1* )(resid   45  and name  HG2*  )  1.8 0.0 3.25
assign (resid   28  and name  HG1* )(resid   48  and name  HA  )  1.8 0.0 2.93
assign (resid   28  and name  HG1* )(resid   48  and name  HN  )  1.8 0.0 2.38
assign (resid   28  and name  HG11 )(resid   48  and name  HB*  )  1.8 0.0 1.56
assign (resid   28  and name  HG12 )(resid   48  and name  HB*  )  1.8 0.0 1.56
assign (resid   28  and name  HG2* )(resid   28  and name  HG11  )  1.8 0.0 1.78
assign (resid   28  and name  HG2* )(resid   28  and name  HG12  )  1.8 0.0 1.78
assign (resid   28  and name  HG2* )(resid   29  and name  HA  )  1.8 0.0 2.46
assign (resid   28  and name  HG2* )(resid   29  and name  HB*  )  1.8 0.0 3.7
assign (resid   28  and name  HG2* )(resid   29  and name  HG*  )  1.8 0.0 2.73
assign (resid   28  and name  HG2* )(resid   29  and name  HN  )  1.8 0.0 1.92
assign (resid   28  and name  HG2* )(resid   30  and name  HN  )  1.8 0.0 3.19
assign (resid   28  and name  HG2* )(resid   31  and name  HB*  )  1.8 0.0 3.29
assign (resid   28  and name  HG2* )(resid   31  and name  HN  )  1.8 0.0 3.34
!assign (resid   28  and name  HG2* )(resid   32  and name  HB*  )  1.8 0.0 2.23
assign (resid   28  and name  HG2* )(resid   32  and name  HN  )  1.8 0.0 2.59
assign (resid   28  and name  HG2* )(resid   40  and name  HA  )  1.8 0.0 3.22
assign (resid   28  and name  HG2* )(resid   40  and name  HG1*  )  1.8 0.0 1.41
assign (resid   28  and name  HG2* )(resid   40  and name  HG2*  )  1.8 0.0 1.06
!assign (resid   28  and name  HG2* )(resid   41  and name  HN  )  1.8 0.0 3
assign (resid   28  and name  HG2* )(resid   44  and name  HA  )  1.8 0.0 3.04
assign (resid   28  and name  HG2* )(resid   44  and name  HB1  )  1.8 0.0 2.09
assign (resid   28  and name  HG2* )(resid   44  and name  HB2  )  1.8 0.0 2.09
!assign (resid   28  and name  HG2* )(resid   44  and name  HD1*  )  1.8 0.0 2.5
assign (resid   28  and name  HG2* )(resid   44  and name  HD2*  )  1.8 0.0 2.36
assign (resid   28  and name  HG2* )(resid   44  and name  HG  )  1.8 0.0 2.78
!assign (resid   28  and name  HG2* )(resid   44  and name  HN  )  1.8 0.0 2.98
assign (resid   28  and name  HG2* )(resid   45  and name  HA  )  1.8 0.0 1.91
assign (resid   28  and name  HG2* )(resid   45  and name  HG2*  )  1.8 0.0 1.44
assign (resid   28  and name  HG2* )(resid   45  and name  HN  )  1.8 0.0 2.48
!assign (resid   28  and name  HG2* )(resid   47  and name  HB*  )  1.8 0.0 3.55
assign (resid   28  and name  HG2* )(resid   48  and name  HB*  )  1.8 0.0 2.93
assign (resid   28  and name  HG2* )(resid   48  and name  HN  )  1.8 0.0 3.42
assign (resid   28  and name  HN )(resid   28  and name  HB  )  1.8 0.0 1.16
assign (resid   28  and name  HN )(resid   28  and name  HD1*  )  1.8 0.0 1.77
assign (resid   28  and name  HN )(resid   28  and name  HG11  )  1.8 0.0 2.76
assign (resid   28  and name  HN )(resid   28  and name  HG12  )  1.8 0.0 2.76
assign (resid   28  and name  HN )(resid   28  and name  HG2*  )  1.8 0.0 2.09
assign (resid   28  and name  HN )(resid   29  and name  HN  )  1.8 0.0 1.46
assign (resid   28  and name  HN )(resid   30  and name  HN  )  1.8 0.0 2.67
assign (resid   28  and name  HN )(resid   48  and name  HB*  )  1.8 0.0 2.06
assign (resid   29  and name  HA )(resid   29  and name  HG1  )  1.8 0.0 1.96
assign (resid   29  and name  HA )(resid   29  and name  HG2  )  1.8 0.0 1.96
!assign (resid   29  and name  HA )(resid   30  and name  HA  )  1.8 0.0 2.92
assign (resid   29  and name  HA )(resid   31  and name  HN  )  1.8 0.0 3.17
assign (resid   29  and name  HA )(resid   32  and name  HB*  )  1.8 0.0 1.67
assign (resid   29  and name  HA )(resid   32  and name  HN  )  1.8 0.0 2.35
assign (resid   29  and name  HA )(resid   33  and name  HN  )  1.8 0.0 3.42
assign (resid   29  and name  HA )(resid   40  and name  HG1*  )  1.8 0.0 2.24
assign (resid   29  and name  HB* )(resid   40  and name  HG1*  )  1.8 0.0 3.46
assign (resid   29  and name  HB1 )(resid   30  and name  HN  )  1.8 0.0 2.17
assign (resid   29  and name  HB2 )(resid   30  and name  HN  )  1.8 0.0 2.17
assign (resid   29  and name  HG* )(resid   30  and name  HN  )  1.8 0.0 2.76
assign (resid   29  and name  HG* )(resid   40  and name  HG2*  )  1.8 0.0 3.7
assign (resid   29  and name  HG1 )(resid   40  and name  HG1*  )  1.8 0.0 2.79
assign (resid   29  and name  HG2 )(resid   40  and name  HG1*  )  1.8 0.0 2.79
assign (resid   29  and name  HN )(resid   29  and name  HB*  )  1.8 0.0 1.18
assign (resid   29  and name  HN )(resid   29  and name  HG1  )  1.8 0.0 2.11
assign (resid   29  and name  HN )(resid   29  and name  HG2  )  1.8 0.0 2.11
assign (resid   29  and name  HN )(resid   30  and name  HN  )  1.8 0.0 1.3
assign (resid   29  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 3.05
assign (resid   30  and name  HA )(resid   30  and name  HG1  )  1.8 0.0 1.91
assign (resid   30  and name  HA )(resid   30  and name  HG2  )  1.8 0.0 1.91
assign (resid   30  and name  HA )(resid   31  and name  HN  )  1.8 0.0 1.75
!assign (resid   30  and name  HA )(resid   32  and name  HB*  )  1.8 0.0 2.93
!assign (resid   30  and name  HA )(resid   32  and name  HN  )  1.8 0.0 2.46
assign (resid   30  and name  HA )(resid   33  and name  HB1  )  1.8 0.0 2.97
assign (resid   30  and name  HA )(resid   33  and name  HB2  )  1.8 0.0 2.97
!assign (resid   30  and name  HA )(resid   33  and name  HD*  )  1.8 0.0 2.29
assign (resid   30  and name  HA )(resid   33  and name  HG*  )  1.8 0.0 2.14
assign (resid   30  and name  HA )(resid   33  and name  HN  )  1.8 0.0 2.48
assign (resid   30  and name  HB* )(resid   30  and name  HE22  )  1.8 0.0 3.28
assign (resid   30  and name  HB* )(resid   31  and name  HD1*  )  1.8 0.0 3.54
assign (resid   30  and name  HB* )(resid   31  and name  HD2*  )  1.8 0.0 2.71
assign (resid   30  and name  HB* )(resid   31  and name  HN  )  1.8 0.0 1.58
assign (resid   30  and name  HB* )(resid   32  and name  HN  )  1.8 0.0 3.32
assign (resid   30  and name  HB* )(resid   33  and name  HB*  )  1.8 0.0 3.7
assign (resid   30  and name  HB* )(resid   33  and name  HG*  )  1.8 0.0 3.7
assign (resid   30  and name  HB* )(resid   33  and name  HN  )  1.8 0.0 3.7
assign (resid   30  and name  HB* )(resid   34  and name  HN  )  1.8 0.0 3.7
assign (resid   30  and name  HG* )(resid   33  and name  HN  )  1.8 0.0 3.47
assign (resid   30  and name  HG1 )(resid   31  and name  HN  )  1.8 0.0 3.56
assign (resid   30  and name  HG2 )(resid   31  and name  HN  )  1.8 0.0 3.56
!assign (resid   30  and name  HN )(resid   30  and name  HB1  )  1.8 0.0 1.16
!assign (resid   30  and name  HN )(resid   30  and name  HB2  )  1.8 0.0 1.16
assign (resid   30  and name  HN )(resid   30  and name  HG*  )  1.8 0.0 2.43
!assign (resid   30  and name  HN )(resid   31  and name  HG  )  1.8 0.0 2.57
assign (resid   30  and name  HN )(resid   31  and name  HN  )  1.8 0.0 1.32
assign (resid   30  and name  HN )(resid   32  and name  HB*  )  1.8 0.0 3.17
assign (resid   30  and name  HN )(resid   32  and name  HN  )  1.8 0.0 2.52
!assign (resid   30  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 3.7
assign (resid   31  and name  HA )(resid   31  and name  HD1*  )  1.8 0.0 2.13
assign (resid   31  and name  HA )(resid   31  and name  HD2*  )  1.8 0.0 2.35
assign (resid   31  and name  HA )(resid   31  and name  HG  )  1.8 0.0 1.96
!assign (resid   31  and name  HA )(resid   32  and name  HA  )  1.8 0.0 3.08
assign (resid   31  and name  HA )(resid   34  and name  HB*  )  1.8 0.0 1.79
assign (resid   31  and name  HA )(resid   34  and name  HE21  )  1.8 0.0 2.7
assign (resid   31  and name  HB* )(resid   32  and name  HB*  )  1.8 0.0 2.26
!assign (resid   31  and name  HB* )(resid   40  and name  HG1*  )  1.8 0.0 3.23
assign (resid   31  and name  HB* )(resid   44  and name  HD1*  )  1.8 0.0 2.73
assign (resid   31  and name  HB* )(resid   44  and name  HG  )  1.8 0.0 1.68
assign (resid   31  and name  HB1 )(resid   31  and name  HD1*  )  1.8 0.0 1.4
assign (resid   31  and name  HB1 )(resid   31  and name  HD2*  )  1.8 0.0 1.46
assign (resid   31  and name  HB1 )(resid   32  and name  HN  )  1.8 0.0 2.35
assign (resid   31  and name  HB1 )(resid   44  and name  HD2*  )  1.8 0.0 1.66
assign (resid   31  and name  HB2 )(resid   31  and name  HD1*  )  1.8 0.0 1.4
assign (resid   31  and name  HB2 )(resid   31  and name  HD2*  )  1.8 0.0 1.46
assign (resid   31  and name  HB2 )(resid   32  and name  HN  )  1.8 0.0 2.35
assign (resid   31  and name  HB2 )(resid   44  and name  HD2*  )  1.8 0.0 1.66
assign (resid   31  and name  HD1* )(resid   32  and name  HN  )  1.8 0.0 2.99
!assign (resid   31  and name  HD1* )(resid   34  and name  HE22  )  1.8 0.0 2.5
!assign (resid   31  and name  HD1* )(resid   40  and name  HG1*  )  1.8 0.0 3.32
!assign (resid   31  and name  HD1* )(resid   43  and name  HG*  )  1.8 0.0 3.7
assign (resid   31  and name  HD1* )(resid   44  and name  HB*  )  1.8 0.0 1.67
assign (resid   31  and name  HD1* )(resid   44  and name  HG  )  1.8 0.0 1.55
!assign (resid   31  and name  HD1* )(resid   45  and name  HG2*  )  1.8 0.0 3.7
!assign (resid   31  and name  HD1* )(resid   45  and name  HN  )  1.8 0.0 3.14
assign (resid   31  and name  HD1* )(resid   47  and name  HB*  )  1.8 0.0 2
!assign (resid   31  and name  HD1* )(resid   47  and name  HE21  )  1.8 0.0 2.72
!assign (resid   31  and name  HD1* )(resid   47  and name  HE22  )  1.8 0.0 3.34
assign (resid   31  and name  HD1* )(resid   47  and name  HG*  )  1.8 0.0 2.53
!assign (resid   31  and name  HD1* )(resid   47  and name  HN  )  1.8 0.0 2.5
assign (resid   31  and name  HD1* )(resid   48  and name  HA  )  1.8 0.0 1.9
assign (resid   31  and name  HD1* )(resid   48  and name  HB*  )  1.8 0.0 1.67
assign (resid   31  and name  HD1* )(resid   48  and name  HN  )  1.8 0.0 1.76
assign (resid   31  and name  HD1* )(resid   51  and name  HG*  )  1.8 0.0 3.7
assign (resid   31  and name  HD2* )(resid   34  and name  HE21  )  1.8 0.0 2.4
!assign (resid   31  and name  HD2* )(resid   44  and name  HA  )  1.8 0.0 2.97
assign (resid   31  and name  HD2* )(resid   47  and name  HB*  )  1.8 0.0 3.32
assign (resid   31  and name  HD2* )(resid   47  and name  HE21  )  1.8 0.0 3.38
!assign (resid   31  and name  HD2* )(resid   47  and name  HE22  )  1.8 0.0 2.99
assign (resid   31  and name  HD2* )(resid   47  and name  HG*  )  1.8 0.0 3.25
assign (resid   31  and name  HD2* )(resid   48  and name  HA  )  1.8 0.0 3.8
!assign (resid   31  and name  HD2* )(resid   48  and name  HB*  )  1.8 0.0 2.42
!assign (resid   31  and name  HD2* )(resid   48  and name  HN  )  1.8 0.0 2.99
assign (resid   31  and name  HG )(resid   32  and name  HN  )  1.8 0.0 2.85
assign (resid   31  and name  HN )(resid   31  and name  HB1  )  1.8 0.0 1.95
assign (resid   31  and name  HN )(resid   31  and name  HB2  )  1.8 0.0 1.95
assign (resid   31  and name  HN )(resid   31  and name  HD1*  )  1.8 0.0 2.16
assign (resid   31  and name  HN )(resid   31  and name  HD2*  )  1.8 0.0 2.38
assign (resid   31  and name  HN )(resid   31  and name  HG  )  1.8 0.0 1.23
assign (resid   31  and name  HN )(resid   32  and name  HA  )  1.8 0.0 3.62
assign (resid   31  and name  HN )(resid   32  and name  HB*  )  1.8 0.0 2.79
assign (resid   31  and name  HN )(resid   32  and name  HN  )  1.8 0.0 1.06
assign (resid   32  and name  HA )(resid   35  and name  HB*  )  1.8 0.0 1.49
assign (resid   32  and name  HA )(resid   35  and name  HN  )  1.8 0.0 1.66
assign (resid   32  and name  HA )(resid   37  and name  HE2*  )  1.8 0.0 2.64
assign (resid   32  and name  HA )(resid   37  and name  HG*  )  1.8 0.0 2.28
assign (resid   32  and name  HA )(resid   40  and name  HA  )  1.8 0.0 3.15
assign (resid   32  and name  HA )(resid   40  and name  HG1*  )  1.8 0.0 3.38
assign (resid   32  and name  HA )(resid   44  and name  HD1*  )  1.8 0.0 3.2
assign (resid   32  and name  HA )(resid   44  and name  HD2*  )  1.8 0.0 3.2
assign (resid   32  and name  HB* )(resid   33  and name  HN  )  1.8 0.0 1.08
assign (resid   32  and name  HB* )(resid   35  and name  HN  )  1.8 0.0 2.72
!assign (resid   32  and name  HB* )(resid   37  and name  HB1  )  1.8 0.0 3.4
!assign (resid   32  and name  HB* )(resid   37  and name  HB2  )  1.8 0.0 3.4
assign (resid   32  and name  HB* )(resid   37  and name  HE2*  )  1.8 0.0 3.08
assign (resid   32  and name  HB* )(resid   37  and name  HG1  )  1.8 0.0 3.2
assign (resid   32  and name  HB* )(resid   37  and name  HG2  )  1.8 0.0 3.2
!assign (resid   32  and name  HB* )(resid   38  and name  HA  )  1.8 0.0 2.43
!assign (resid   32  and name  HB* )(resid   38  and name  HN  )  1.8 0.0 3.18
assign (resid   32  and name  HB* )(resid   39  and name  HN  )  1.8 0.0 2.95
assign (resid   32  and name  HB* )(resid   40  and name  HA  )  1.8 0.0 2.15
assign (resid   32  and name  HB* )(resid   40  and name  HG1*  )  1.8 0.0 1.21
assign (resid   32  and name  HB* )(resid   40  and name  HG2*  )  1.8 0.0 2.69
assign (resid   32  and name  HB* )(resid   40  and name  HN  )  1.8 0.0 2.59
assign (resid   32  and name  HB* )(resid   41  and name  HN  )  1.8 0.0 3.23
assign (resid   32  and name  HB* )(resid   44  and name  HD2*  )  1.8 0.0 1.49
assign (resid   32  and name  HN )(resid   32  and name  HB*  )  1.8 0.0 0.88
assign (resid   32  and name  HN )(resid   33  and name  HN  )  1.8 0.0 1.05
assign (resid   32  and name  HN )(resid   35  and name  HN  )  1.8 0.0 3.36
assign (resid   32  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 2.9
assign (resid   32  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 2.27
!assign (resid   33  and name  HB* )(resid   34  and name  HA  )  1.8 0.0 3.38
assign (resid   33  and name  HB* )(resid   34  and name  HN  )  1.8 0.0 2.27
assign (resid   33  and name  HB* )(resid   35  and name  HN  )  1.8 0.0 3.08
assign (resid   33  and name  HB1 )(resid   33  and name  HD*  )  1.8 0.0 2.33
assign (resid   33  and name  HB1 )(resid   36  and name  HN  )  1.8 0.0 3.7
assign (resid   33  and name  HB2 )(resid   33  and name  HD*  )  1.8 0.0 2.33
assign (resid   33  and name  HB2 )(resid   36  and name  HN  )  1.8 0.0 3.7
assign (resid   33  and name  HN )(resid   33  and name  HB1  )  1.8 0.0 1.9
assign (resid   33  and name  HN )(resid   33  and name  HB2  )  1.8 0.0 1.9
assign (resid   33  and name  HN )(resid   33  and name  HD*  )  1.8 0.0 2.58
assign (resid   33  and name  HN )(resid   33  and name  HG1  )  1.8 0.0 1.87
assign (resid   33  and name  HN )(resid   33  and name  HG2  )  1.8 0.0 1.87
assign (resid   33  and name  HN )(resid   34  and name  HB*  )  1.8 0.0 3.26
assign (resid   33  and name  HN )(resid   35  and name  HB*  )  1.8 0.0 3.12
assign (resid   33  and name  HN )(resid   35  and name  HN  )  1.8 0.0 2.71
!assign (resid   33  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 3.38
assign (resid   34  and name  HA )(resid   35  and name  HN  )  1.8 0.0 1.69
!assign (resid   34  and name  HA )(resid   36  and name  HA  )  1.8 0.0 3.38
assign (resid   34  and name  HA )(resid   36  and name  HN  )  1.8 0.0 3.2
assign (resid   34  and name  HB* )(resid   35  and name  HB*  )  1.8 0.0 3.7
assign (resid   34  and name  HB1 )(resid   35  and name  HN  )  1.8 0.0 2.48
assign (resid   34  and name  HB2 )(resid   35  and name  HN  )  1.8 0.0 2.48
!assign (resid   34  and name  HE21 )(resid   35  and name  HB*  )  1.8 0.0 2.51
!assign (resid   34  and name  HE21 )(resid   44  and name  HD1*  )  1.8 0.0 3.19
assign (resid   34  and name  HE21 )(resid   44  and name  HD2*  )  1.8 0.0 4.04
!assign (resid   34  and name  HE22 )(resid   35  and name  HB*  )  1.8 0.0 4.31
assign (resid   34  and name  HG* )(resid   34  and name  HE21  )  1.8 0.0 1.31
!assign (resid   34  and name  HG* )(resid   35  and name  HB*  )  1.8 0.0 1.48
assign (resid   34  and name  HN )(resid   35  and name  HN  )  1.8 0.0 1.17
assign (resid   34  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 3.63
!assign (resid   35  and name  HA )(resid   36  and name  HA  )  1.8 0.0 3.41
assign (resid   35  and name  HA )(resid   36  and name  HG*  )  1.8 0.0 3.2
!assign (resid   35  and name  HA )(resid   37  and name  HN  )  1.8 0.0 2.99
!assign (resid   35  and name  HB* )(resid   36  and name  HA  )  1.8 0.0 3.07
assign (resid   35  and name  HB* )(resid   36  and name  HB*  )  1.8 0.0 2.87
assign (resid   35  and name  HB* )(resid   36  and name  HN  )  1.8 0.0 1.74
assign (resid   35  and name  HB* )(resid   37  and name  HB*  )  1.8 0.0 2.77
assign (resid   35  and name  HB* )(resid   37  and name  HE2*  )  1.8 0.0 1.49
assign (resid   35  and name  HB* )(resid   37  and name  HG*  )  1.8 0.0 1.34
assign (resid   35  and name  HB* )(resid   37  and name  HN  )  1.8 0.0 2.55
assign (resid   35  and name  HB* )(resid   44  and name  HD1*  )  1.8 0.0 2.53
assign (resid   35  and name  HB* )(resid   44  and name  HD2*  )  1.8 0.0 2.39
assign (resid   35  and name  HN )(resid   36  and name  HA  )  1.8 0.0 3.19
assign (resid   35  and name  HN )(resid   36  and name  HG*  )  1.8 0.0 2.96
assign (resid   35  and name  HN )(resid   36  and name  HN  )  1.8 0.0 1.05
assign (resid   35  and name  HN )(resid   37  and name  HG*  )  1.8 0.0 3.31
!assign (resid   35  and name  HN )(resid   37  and name  HN  )  1.8 0.0 1.84
assign (resid   36  and name  HA )(resid   36  and name  HG*  )  1.8 0.0 0.94
!assign (resid   36  and name  HA )(resid   37  and name  HA  )  1.8 0.0 2.66
assign (resid   36  and name  HA )(resid   37  and name  HN  )  1.8 0.0 1.24
!assign (resid   36  and name  HB* )(resid   37  and name  HB*  )  1.8 0.0 2.67
assign (resid   36  and name  HB* )(resid   37  and name  HG*  )  1.8 0.0 3.42
assign (resid   36  and name  HB* )(resid   37  and name  HN  )  1.8 0.0 2.45
assign (resid   36  and name  HG* )(resid   37  and name  HN  )  1.8 0.0 2.9
assign (resid   36  and name  HN )(resid   36  and name  HA  )  1.8 0.0 0.76
assign (resid   36  and name  HN )(resid   36  and name  HG*  )  1.8 0.0 1.12
assign (resid   36  and name  HN )(resid   37  and name  HA  )  1.8 0.0 3.7
assign (resid   36  and name  HN )(resid   37  and name  HB*  )  1.8 0.0 3.7
assign (resid   36  and name  HN )(resid   37  and name  HG*  )  1.8 0.0 3.7
assign (resid   36  and name  HN )(resid   37  and name  HN  )  1.8 0.0 1.21
assign (resid   37  and name  HA )(resid   37  and name  HG1  )  1.8 0.0 2.28
assign (resid   37  and name  HA )(resid   37  and name  HG2  )  1.8 0.0 2.28
assign (resid   37  and name  HA )(resid   38  and name  HN  )  1.8 0.0 0.76
assign (resid   37  and name  HB* )(resid   37  and name  HE2*  )  1.8 0.0 2.8
!assign (resid   37  and name  HB* )(resid   38  and name  HA  )  1.8 0.0 2.82
assign (resid   37  and name  HB* )(resid   38  and name  HB*  )  1.8 0.0 3.34
assign (resid   37  and name  HB* )(resid   39  and name  HN  )  1.8 0.0 1.33
!assign (resid   37  and name  HB1 )(resid   38  and name  HN  )  1.8 0.0 2.07
!assign (resid   37  and name  HB2 )(resid   38  and name  HN  )  1.8 0.0 2.07
assign (resid   37  and name  HE2* )(resid   39  and name  HG2*  )  1.8 0.0 3.42
assign (resid   37  and name  HE2* )(resid   40  and name  HA  )  1.8 0.0 3.17
assign (resid   37  and name  HE2* )(resid   41  and name  HG2*  )  1.8 0.0 2.84
assign (resid   37  and name  HE2* )(resid   41  and name  HN  )  1.8 0.0 2.54
assign (resid   37  and name  HE2* )(resid   44  and name  HD1*  )  1.8 0.0 3.32
assign (resid   37  and name  HE2* )(resid   44  and name  HD2*  )  1.8 0.0 2.81
assign (resid   37  and name  HE21 )(resid   44  and name  HD2*  )  1.8 0.0 3.59
assign (resid   37  and name  HE22 )(resid   44  and name  HD2*  )  1.8 0.0 3.59
!assign (resid   37  and name  HG* )(resid   38  and name  HA  )  1.8 0.0 3.89
assign (resid   37  and name  HG* )(resid   44  and name  HD2*  )  1.8 0.0 3.14
assign (resid   37  and name  HG1 )(resid   37  and name  HE2*  )  1.8 0.0 1.68
assign (resid   37  and name  HG1 )(resid   38  and name  HN  )  1.8 0.0 2.81
assign (resid   37  and name  HG1 )(resid   39  and name  HB  )  1.8 0.0 3.7
assign (resid   37  and name  HG1 )(resid   39  and name  HN  )  1.8 0.0 2.94
assign (resid   37  and name  HG2 )(resid   37  and name  HE2*  )  1.8 0.0 1.68
!assign (resid   37  and name  HG2 )(resid   38  and name  HN  )  1.8 0.0 2.81
!assign (resid   37  and name  HG2 )(resid   39  and name  HB  )  1.8 0.0 3.7
assign (resid   37  and name  HG2 )(resid   39  and name  HN  )  1.8 0.0 2.94
assign (resid   37  and name  HN )(resid   37  and name  HB1  )  1.8 0.0 2.16
assign (resid   37  and name  HN )(resid   37  and name  HB2  )  1.8 0.0 2.16
assign (resid   37  and name  HN )(resid   37  and name  HG*  )  1.8 0.0 1.5
assign (resid   38  and name  HA )(resid   39  and name  HN  )  1.8 0.0 1.61
assign (resid   38  and name  HB* )(resid   39  and name  HB  )  1.8 0.0 3.37
assign (resid   38  and name  HB1 )(resid   39  and name  HG1*  )  1.8 0.0 3.27
assign (resid   38  and name  HB1 )(resid   39  and name  HN  )  1.8 0.0 2.73
assign (resid   38  and name  HB2 )(resid   39  and name  HG1*  )  1.8 0.0 3.27
assign (resid   38  and name  HB2 )(resid   39  and name  HN  )  1.8 0.0 2.73
assign (resid   38  and name  HN )(resid   38  and name  HB1  )  1.8 0.0 2.01
assign (resid   38  and name  HN )(resid   38  and name  HB2  )  1.8 0.0 2.01
assign (resid   38  and name  HN )(resid   39  and name  HB  )  1.8 0.0 2.73
assign (resid   38  and name  HN )(resid   39  and name  HD1*  )  1.8 0.0 2.63
assign (resid   38  and name  HN )(resid   39  and name  HG11  )  1.8 0.0 3.7
assign (resid   38  and name  HN )(resid   39  and name  HG12  )  1.8 0.0 3.7
assign (resid   38  and name  HN )(resid   39  and name  HG2*  )  1.8 0.0 3.7
assign (resid   38  and name  HN )(resid   39  and name  HN  )  1.8 0.0 0.93
assign (resid   39  and name  HA )(resid   39  and name  HD1*  )  1.8 0.0 2.29
assign (resid   39  and name  HA )(resid   39  and name  HG11  )  1.8 0.0 2.24
assign (resid   39  and name  HA )(resid   39  and name  HG12  )  1.8 0.0 2.24
assign (resid   39  and name  HA )(resid   39  and name  HG2*  )  1.8 0.0 1.59
!assign (resid   39  and name  HA )(resid   40  and name  HA  )  1.8 0.0 2.91
assign (resid   39  and name  HA )(resid   40  and name  HG1*  )  1.8 0.0 2.61
assign (resid   39  and name  HA )(resid   40  and name  HN  )  1.8 0.0 0.83
assign (resid   39  and name  HB )(resid   39  and name  HD1*  )  1.8 0.0 1.48
!assign (resid   39  and name  HB )(resid   40  and name  HA  )  1.8 0.0 3.62
assign (resid   39  and name  HB )(resid   40  and name  HN  )  1.8 0.0 2.78
assign (resid   39  and name  HB )(resid   41  and name  HG2*  )  1.8 0.0 3.18
assign (resid   39  and name  HD1* )(resid   40  and name  HN  )  1.8 0.0 3.66
!assign (resid   39  and name  HG11 )(resid   40  and name  HN  )  1.8 0.0 3.18
!assign (resid   39  and name  HG12 )(resid   40  and name  HN  )  1.8 0.0 3.18
assign (resid   39  and name  HG2* )(resid   39  and name  HG11  )  1.8 0.0 2.08
assign (resid   39  and name  HG2* )(resid   39  and name  HG12  )  1.8 0.0 2.08
assign (resid   39  and name  HG2* )(resid   40  and name  HA  )  1.8 0.0 2.68
assign (resid   39  and name  HG2* )(resid   40  and name  HG2*  )  1.8 0.0 2.86
assign (resid   39  and name  HG2* )(resid   40  and name  HN  )  1.8 0.0 3.2
assign (resid   39  and name  HG2* )(resid   41  and name  HA  )  1.8 0.0 2.76
assign (resid   39  and name  HG2* )(resid   41  and name  HG2*  )  1.8 0.0 1.6
assign (resid   39  and name  HG2* )(resid   41  and name  HN  )  1.8 0.0 3.16
assign (resid   39  and name  HG2* )(resid   42  and name  HD*  )  1.8 0.0 3.7
assign (resid   39  and name  HN )(resid   39  and name  HB  )  1.8 0.0 1.22
assign (resid   39  and name  HN )(resid   39  and name  HD1*  )  1.8 0.0 2.53
assign (resid   39  and name  HN )(resid   39  and name  HG11  )  1.8 0.0 2.7
assign (resid   39  and name  HN )(resid   39  and name  HG12  )  1.8 0.0 2.7
assign (resid   39  and name  HN )(resid   39  and name  HG2*  )  1.8 0.0 2.1
assign (resid   39  and name  HN )(resid   40  and name  HA  )  1.8 0.0 3.36
assign (resid   39  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 2.96
assign (resid   39  and name  HN )(resid   40  and name  HN  )  1.8 0.0 2.67
assign (resid   40  and name  HA )(resid   40  and name  HG1*  )  1.8 0.0 1.41
assign (resid   40  and name  HA )(resid   40  and name  HG2*  )  1.8 0.0 1.5
!assign (resid   40  and name  HA )(resid   41  and name  HA  )  1.8 0.0 2.85
assign (resid   40  and name  HA )(resid   41  and name  HG2*  )  1.8 0.0 2.9
assign (resid   40  and name  HA )(resid   41  and name  HN  )  1.8 0.0 0.71
assign (resid   40  and name  HA )(resid   44  and name  HB1  )  1.8 0.0 3.11
assign (resid   40  and name  HA )(resid   44  and name  HB2  )  1.8 0.0 3.11
assign (resid   40  and name  HA )(resid   44  and name  HD1*  )  1.8 0.0 3.2
assign (resid   40  and name  HA )(resid   44  and name  HD2*  )  1.8 0.0 1.39
assign (resid   40  and name  HB )(resid   44  and name  HB*  )  1.8 0.0 2.56
assign (resid   40  and name  HB )(resid   45  and name  HG2*  )  1.8 0.0 2.93
!assign (resid   40  and name  HG1* )(resid   41  and name  HN  )  1.8 0.0 2.42
!assign (resid   40  and name  HG1* )(resid   44  and name  HD1*  )  1.8 0.0 4.02
!assign (resid   40  and name  HG1* )(resid   44  and name  HD2*  )  1.8 0.0 4.11
assign (resid   40  and name  HG2* )(resid   41  and name  HA  )  1.8 0.0 2.9
!assign (resid   40  and name  HG2* )(resid   41  and name  HN  )  1.8 0.0 1.9
assign (resid   40  and name  HG2* )(resid   42  and name  HA  )  1.8 0.0 2.98
!assign (resid   40  and name  HG2* )(resid   44  and name  HB1  )  1.8 0.0 2.69
!assign (resid   40  and name  HG2* )(resid   44  and name  HB2  )  1.8 0.0 2.69
!assign (resid   40  and name  HG2* )(resid   44  and name  HD1*  )  1.8 0.0 4.2
!assign (resid   40  and name  HG2* )(resid   44  and name  HD2*  )  1.8 0.0 4.2
!assign (resid   40  and name  HG2* )(resid   44  and name  HN  )  1.8 0.0 4.35
assign (resid   40  and name  HG2* )(resid   45  and name  HB  )  1.8 0.0 3.7
assign (resid   40  and name  HG2* )(resid   45  and name  HG2*  )  1.8 0.0 1.41
!assign (resid   40  and name  HG2* )(resid   45  and name  HN  )  1.8 0.0 2.73
assign (resid   40  and name  HN )(resid   40  and name  HB  )  1.8 0.0 1.95
assign (resid   40  and name  HN )(resid   40  and name  HG1*  )  1.8 0.0 1.26
assign (resid   40  and name  HN )(resid   40  and name  HG2*  )  1.8 0.0 2.15
!assign (resid   40  and name  HN )(resid   41  and name  HG2*  )  1.8 0.0 3.4
assign (resid   40  and name  HN )(resid   41  and name  HN  )  1.8 0.0 2.74
!assign (resid   40  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 3.23
assign (resid   41  and name  HA )(resid   41  and name  HG2*  )  1.8 0.0 1.17
!assign (resid   41  and name  HA )(resid   42  and name  HA  )  1.8 0.0 2.8
assign (resid   41  and name  HA )(resid   42  and name  HD1  )  1.8 0.0 1.38
assign (resid   41  and name  HA )(resid   42  and name  HD2  )  1.8 0.0 1.38
assign (resid   41  and name  HA )(resid   42  and name  HG1  )  1.8 0.0 3.14
assign (resid   41  and name  HA )(resid   42  and name  HG2  )  1.8 0.0 3.14
assign (resid   41  and name  HA )(resid   43  and name  HN  )  1.8 0.0 3.36
!assign (resid   41  and name  HA )(resid   44  and name  HD1*  )  1.8 0.0 3.43
assign (resid   41  and name  HA )(resid   44  and name  HN  )  1.8 0.0 3.09
!assign (resid   41  and name  HB )(resid   42  and name  HA  )  1.8 0.0 3.47
assign (resid   41  and name  HB )(resid   42  and name  HB*  )  1.8 0.0 3.7
assign (resid   41  and name  HB )(resid   42  and name  HD1  )  1.8 0.0 2.54
assign (resid   41  and name  HB )(resid   42  and name  HD2  )  1.8 0.0 2.54
!assign (resid   41  and name  HB )(resid   42  and name  HG1  )  1.8 0.0 2.84
!assign (resid   41  and name  HB )(resid   42  and name  HG2  )  1.8 0.0 2.84
assign (resid   41  and name  HB )(resid   43  and name  HB*  )  1.8 0.0 2.84
assign (resid   41  and name  HB )(resid   43  and name  HN  )  1.8 0.0 1.7
assign (resid   41  and name  HB )(resid   44  and name  HD2*  )  1.8 0.0 3.7
assign (resid   41  and name  HG2* )(resid   42  and name  HD1  )  1.8 0.0 2.53
assign (resid   41  and name  HG2* )(resid   42  and name  HD2  )  1.8 0.0 2.53
!assign (resid   41  and name  HG2* )(resid   43  and name  HG*  )  1.8 0.0 2.73
assign (resid   41  and name  HG2* )(resid   43  and name  HN  )  1.8 0.0 3.29
assign (resid   41  and name  HG2* )(resid   44  and name  HD1*  )  1.8 0.0 3.2
!assign (resid   41  and name  HN )(resid   41  and name  HB  )  1.8 0.0 1.83
assign (resid   41  and name  HN )(resid   41  and name  HG2*  )  1.8 0.0 1.23
!assign (resid   41  and name  HN )(resid   42  and name  HD1  )  1.8 0.0 3.44
!assign (resid   41  and name  HN )(resid   42  and name  HD2  )  1.8 0.0 3.44
assign (resid   41  and name  HN )(resid   43  and name  HN  )  1.8 0.0 3.48
!assign (resid   41  and name  HN )(resid   44  and name  HA  )  1.8 0.0 3.7
assign (resid   41  and name  HN )(resid   44  and name  HB1  )  1.8 0.0 2.86
assign (resid   41  and name  HN )(resid   44  and name  HB2  )  1.8 0.0 2.86
assign (resid   41  and name  HN )(resid   44  and name  HD1*  )  1.8 0.0 2.06
assign (resid   41  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 1.4
!assign (resid   41  and name  HN )(resid   44  and name  HG  )  1.8 0.0 3.25
assign (resid   41  and name  HN )(resid   44  and name  HN  )  1.8 0.0 2.13
assign (resid   42  and name  HA )(resid   44  and name  HN  )  1.8 0.0 3.11
assign (resid   42  and name  HA )(resid   45  and name  HB  )  1.8 0.0 1.9
assign (resid   42  and name  HA )(resid   45  and name  HG1*  )  1.8 0.0 3.07
assign (resid   42  and name  HA )(resid   45  and name  HG2*  )  1.8 0.0 1.31
assign (resid   42  and name  HA )(resid   45  and name  HN  )  1.8 0.0 1.93
assign (resid   42  and name  HB* )(resid   43  and name  HN  )  1.8 0.0 2.33
assign (resid   42  and name  HB* )(resid   45  and name  HG2*  )  1.8 0.0 3.1
assign (resid   42  and name  HB* )(resid   46  and name  HB*  )  1.8 0.0 3.7
assign (resid   42  and name  HD* )(resid   43  and name  HB*  )  1.8 0.0 3.27
assign (resid   42  and name  HD1 )(resid   43  and name  HN  )  1.8 0.0 2.36
assign (resid   42  and name  HD2 )(resid   43  and name  HN  )  1.8 0.0 2.36
!assign (resid   42  and name  HG* )(resid   43  and name  HB*  )  1.8 0.0 1.95
assign (resid   42  and name  HG1 )(resid   43  and name  HN  )  1.8 0.0 3.04
assign (resid   42  and name  HG2 )(resid   43  and name  HN  )  1.8 0.0 3.04
assign (resid   43  and name  HA )(resid   43  and name  HG*  )  1.8 0.0 1.6
assign (resid   43  and name  HA )(resid   45  and name  HN  )  1.8 0.0 3.04
assign (resid   43  and name  HA )(resid   46  and name  HB*  )  1.8 0.0 2.55
assign (resid   43  and name  HA )(resid   46  and name  HN  )  1.8 0.0 2.41
assign (resid   43  and name  HA )(resid   47  and name  HN  )  1.8 0.0 3.03
assign (resid   43  and name  HB* )(resid   44  and name  HD1*  )  1.8 0.0 2.89
assign (resid   43  and name  HB1 )(resid   44  and name  HN  )  1.8 0.0 2.68
assign (resid   43  and name  HB2 )(resid   44  and name  HN  )  1.8 0.0 2.68
!assign (resid   43  and name  HG* )(resid   44  and name  HA  )  1.8 0.0 2.28
!assign (resid   43  and name  HG* )(resid   44  and name  HB*  )  1.8 0.0 2.66
!assign (resid   43  and name  HG* )(resid   44  and name  HD2*  )  1.8 0.0 3.7
!assign (resid   43  and name  HG* )(resid   44  and name  HN  )  1.8 0.0 2.03
!assign (resid   43  and name  HG* )(resid   45  and name  HG2*  )  1.8 0.0 3.7
assign (resid   43  and name  HN )(resid   43  and name  HB1  )  1.8 0.0 1.9
assign (resid   43  and name  HN )(resid   43  and name  HB2  )  1.8 0.0 1.9
assign (resid   43  and name  HN )(resid   43  and name  HG*  )  1.8 0.0 3.2
!assign (resid   43  and name  HN )(resid   44  and name  HD1*  )  1.8 0.0 3.58
assign (resid   43  and name  HN )(resid   44  and name  HN  )  1.8 0.0 1.48
assign (resid   43  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 3.6
assign (resid   43  and name  HN )(resid   45  and name  HN  )  1.8 0.0 2.81
!assign (resid   44  and name  HA )(resid   44  and name  HD1*  )  1.8 0.0 1.2
assign (resid   44  and name  HA )(resid   44  and name  HD2*  )  1.8 0.0 1.99
assign (resid   44  and name  HA )(resid   44  and name  HG  )  1.8 0.0 2.12
!assign (resid   44  and name  HA )(resid   45  and name  HA  )  1.8 0.0 3.33
assign (resid   44  and name  HA )(resid   45  and name  HG2*  )  1.8 0.0 3.5
assign (resid   44  and name  HA )(resid   47  and name  HB*  )  1.8 0.0 1.61
assign (resid   44  and name  HA )(resid   47  and name  HG*  )  1.8 0.0 2.71
assign (resid   44  and name  HA )(resid   47  and name  HN  )  1.8 0.0 1.76
assign (resid   44  and name  HB1 )(resid   44  and name  HD1*  )  1.8 0.0 2.08
assign (resid   44  and name  HB1 )(resid   44  and name  HD2*  )  1.8 0.0 1.66
assign (resid   44  and name  HB1 )(resid   45  and name  HN  )  1.8 0.0 2.1
assign (resid   44  and name  HB2 )(resid   44  and name  HD1*  )  1.8 0.0 2.08
assign (resid   44  and name  HB2 )(resid   44  and name  HD2*  )  1.8 0.0 1.66
assign (resid   44  and name  HB2 )(resid   45  and name  HN  )  1.8 0.0 2.1
assign (resid   44  and name  HD1* )(resid   45  and name  HN  )  1.8 0.0 3.35
assign (resid   44  and name  HD1* )(resid   47  and name  HB*  )  1.8 0.0 3.34
assign (resid   44  and name  HD1* )(resid   47  and name  HG*  )  1.8 0.0 2.51
assign (resid   44  and name  HD1* )(resid   47  and name  HN  )  1.8 0.0 3.7
assign (resid   44  and name  HD2* )(resid   45  and name  HN  )  1.8 0.0 3.48
assign (resid   44  and name  HG )(resid   45  and name  HN  )  1.8 0.0 3.56
assign (resid   44  and name  HN )(resid   44  and name  HB1  )  1.8 0.0 1.73
assign (resid   44  and name  HN )(resid   44  and name  HB2  )  1.8 0.0 1.73
assign (resid   44  and name  HN )(resid   44  and name  HD1*  )  1.8 0.0 1.97
assign (resid   44  and name  HN )(resid   44  and name  HD2*  )  1.8 0.0 2.27
assign (resid   44  and name  HN )(resid   44  and name  HG  )  1.8 0.0 2.47
assign (resid   44  and name  HN )(resid   45  and name  HA  )  1.8 0.0 3.5
assign (resid   44  and name  HN )(resid   45  and name  HB  )  1.8 0.0 3.31
assign (resid   44  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 3.2
assign (resid   44  and name  HN )(resid   45  and name  HN  )  1.8 0.0 1.07
assign (resid   44  and name  HN )(resid   46  and name  HN  )  1.8 0.0 3.04
!assign (resid   44  and name  HN )(resid   47  and name  HG*  )  1.8 0.0 3.38
assign (resid   45  and name  HA )(resid   45  and name  HG1*  )  1.8 0.0 0.95
assign (resid   45  and name  HA )(resid   45  and name  HG2*  )  1.8 0.0 1.28
assign (resid   45  and name  HA )(resid   47  and name  HN  )  1.8 0.0 2.94
assign (resid   45  and name  HA )(resid   48  and name  HB*  )  1.8 0.0 1.81
assign (resid   45  and name  HA )(resid   48  and name  HN  )  1.8 0.0 2.17
assign (resid   45  and name  HA )(resid   49  and name  HN  )  1.8 0.0 3.13
assign (resid   45  and name  HB )(resid   46  and name  HN  )  1.8 0.0 1.17
assign (resid   45  and name  HG1* )(resid   46  and name  HN  )  1.8 0.0 2.04
assign (resid   45  and name  HG1* )(resid   48  and name  HB*  )  1.8 0.0 3.25
assign (resid   45  and name  HG1* )(resid   49  and name  HB*  )  1.8 0.0 2.72
assign (resid   45  and name  HG1* )(resid   49  and name  HN  )  1.8 0.0 3.09
assign (resid   45  and name  HG2* )(resid   46  and name  HN  )  1.8 0.0 2.12
!assign (resid   45  and name  HG2* )(resid   47  and name  HN  )  1.8 0.0 3.4
assign (resid   45  and name  HN )(resid   45  and name  HB  )  1.8 0.0 1.04
assign (resid   45  and name  HN )(resid   45  and name  HG1*  )  1.8 0.0 2
assign (resid   45  and name  HN )(resid   45  and name  HG2*  )  1.8 0.0 0.9
assign (resid   45  and name  HN )(resid   46  and name  HN  )  1.8 0.0 1.25
assign (resid   45  and name  HN )(resid   47  and name  HN  )  1.8 0.0 2.51
assign (resid   46  and name  HA )(resid   46  and name  HG*  )  1.8 0.0 1.94
assign (resid   46  and name  HA )(resid   48  and name  HN  )  1.8 0.0 3.27
assign (resid   46  and name  HA )(resid   49  and name  HB1  )  1.8 0.0 2.52
assign (resid   46  and name  HA )(resid   49  and name  HB2  )  1.8 0.0 2.52
assign (resid   46  and name  HA )(resid   49  and name  HN  )  1.8 0.0 2.16
assign (resid   46  and name  HB* )(resid   47  and name  HN  )  1.8 0.0 1.92
assign (resid   46  and name  HB* )(resid   50  and name  HD2*  )  1.8 0.0 3.01
assign (resid   46  and name  HG* )(resid   47  and name  HN  )  1.8 0.0 2.78
!assign (resid   46  and name  HG* )(resid   49  and name  HD*  )  1.8 0.0 3.7
assign (resid   46  and name  HG* )(resid   50  and name  HB1  )  1.8 0.0 3.63
assign (resid   46  and name  HG* )(resid   50  and name  HB2  )  1.8 0.0 3.63
assign (resid   46  and name  HG* )(resid   50  and name  HD2*  )  1.8 0.0 1.74
assign (resid   46  and name  HN )(resid   46  and name  HB*  )  1.8 0.0 1.09
assign (resid   46  and name  HN )(resid   46  and name  HG*  )  1.8 0.0 2.62
assign (resid   46  and name  HN )(resid   47  and name  HA  )  1.8 0.0 3.61
assign (resid   46  and name  HN )(resid   47  and name  HN  )  1.8 0.0 1.43
assign (resid   46  and name  HN )(resid   48  and name  HB*  )  1.8 0.0 3.7
!assign (resid   46  and name  HN )(resid   50  and name  HD2*  )  1.8 0.0 3.67
assign (resid   47  and name  HA )(resid   47  and name  HG1  )  1.8 0.0 2.07
assign (resid   47  and name  HA )(resid   47  and name  HG2  )  1.8 0.0 2.07
!assign (resid   47  and name  HA )(resid   49  and name  HN  )  1.8 0.0 2.79
assign (resid   47  and name  HA )(resid   50  and name  HB1  )  1.8 0.0 2.44
assign (resid   47  and name  HA )(resid   50  and name  HB2  )  1.8 0.0 2.44
assign (resid   47  and name  HA )(resid   50  and name  HD2*  )  1.8 0.0 2.81
assign (resid   47  and name  HA )(resid   50  and name  HN  )  1.8 0.0 2.4
assign (resid   47  and name  HB* )(resid   47  and name  HE21  )  1.8 0.0 2.5
assign (resid   47  and name  HB* )(resid   47  and name  HE22  )  1.8 0.0 3.23
!assign (resid   47  and name  HB* )(resid   48  and name  HA  )  1.8 0.0 2.19
assign (resid   47  and name  HB* )(resid   48  and name  HB*  )  1.8 0.0 2.63
assign (resid   47  and name  HB1 )(resid   48  and name  HN  )  1.8 0.0 2.59
assign (resid   47  and name  HB2 )(resid   48  and name  HN  )  1.8 0.0 3.2
assign (resid   47  and name  HE21 )(resid   48  and name  HA  )  1.8 0.0 3.31
!assign (resid   47  and name  HE21 )(resid   48  and name  HB*  )  1.8 0.0 3.7
assign (resid   47  and name  HE21 )(resid   50  and name  HB1  )  1.8 0.0 3.7
assign (resid   47  and name  HE21 )(resid   50  and name  HB2  )  1.8 0.0 3.7
assign (resid   47  and name  HG* )(resid   48  and name  HN  )  1.8 0.0 3.04
assign (resid   47  and name  HN )(resid   47  and name  HB1  )  1.8 0.0 1.72
assign (resid   47  and name  HN )(resid   47  and name  HB2  )  1.8 0.0 1.72
assign (resid   47  and name  HN )(resid   47  and name  HG1  )  1.8 0.0 3.38
assign (resid   47  and name  HN )(resid   47  and name  HG2  )  1.8 0.0 3.38
assign (resid   47  and name  HN )(resid   48  and name  HB*  )  1.8 0.0 2.76
assign (resid   47  and name  HN )(resid   49  and name  HN  )  1.8 0.0 2.77
assign (resid   48  and name  HA )(resid   50  and name  HN  )  1.8 0.0 2.88
assign (resid   48  and name  HA )(resid   51  and name  HB*  )  1.8 0.0 2.97
assign (resid   48  and name  HA )(resid   51  and name  HG1  )  1.8 0.0 2.66
assign (resid   48  and name  HA )(resid   51  and name  HG2  )  1.8 0.0 2.66
assign (resid   48  and name  HA )(resid   52  and name  HD*  )  1.8 0.0 3.62
assign (resid   48  and name  HB* )(resid   49  and name  HN  )  1.8 0.0 1.59
assign (resid   48  and name  HB* )(resid   51  and name  HG*  )  1.8 0.0 2.92
assign (resid   48  and name  HB* )(resid   52  and name  HD*  )  1.8 0.0 3.23
assign (resid   48  and name  HN )(resid   48  and name  HB*  )  1.8 0.0 0.87
!assign (resid   48  and name  HN )(resid   49  and name  HA  )  1.8 0.0 3.64
assign (resid   48  and name  HN )(resid   49  and name  HN  )  1.8 0.0 1.39
assign (resid   49  and name  HA )(resid   49  and name  HD1  )  1.8 0.0 2.7
!assign (resid   49  and name  HA )(resid   49  and name  HD2  )  1.8 0.0 2.7
assign (resid   49  and name  HA )(resid   49  and name  HG1  )  1.8 0.0 2.05
assign (resid   49  and name  HA )(resid   49  and name  HG2  )  1.8 0.0 2.05
!assign (resid   49  and name  HA )(resid   50  and name  HA  )  1.8 0.0 3.28
assign (resid   49  and name  HA )(resid   51  and name  HN  )  1.8 0.0 3.15
assign (resid   49  and name  HA )(resid   52  and name  HB*  )  1.8 0.0 2.6
assign (resid   49  and name  HA )(resid   52  and name  HD*  )  1.8 0.0 2.24
assign (resid   49  and name  HA )(resid   52  and name  HN  )  1.8 0.0 2.69
assign (resid   49  and name  HA )(resid   53  and name  HN  )  1.8 0.0 3.24
!assign (resid   49  and name  HB* )(resid   50  and name  HD2*  )  1.8 0.0 2.32
assign (resid   49  and name  HB* )(resid   50  and name  HN  )  1.8 0.0 1.77
assign (resid   49  and name  HB* )(resid   52  and name  HB*  )  1.8 0.0 3.7
assign (resid   49  and name  HB* )(resid   52  and name  HD*  )  1.8 0.0 3.7
!assign (resid   49  and name  HD* )(resid   50  and name  HA  )  1.8 0.0 3.2
!assign (resid   49  and name  HD* )(resid   50  and name  HD2*  )  1.8 0.0 3.35
!assign (resid   49  and name  HD* )(resid   50  and name  HN  )  1.8 0.0 2.61
!assign (resid   49  and name  HD* )(resid   52  and name  HD*  )  1.8 0.0 3.7
assign (resid   49  and name  HG* )(resid   50  and name  HD2*  )  1.8 0.0 3.33
assign (resid   49  and name  HG* )(resid   52  and name  HB*  )  1.8 0.0 3.3
assign (resid   49  and name  HG* )(resid   52  and name  HD*  )  1.8 0.0 2.99
assign (resid   49  and name  HG* )(resid   52  and name  HN  )  1.8 0.0 3.49
assign (resid   49  and name  HG* )(resid   53  and name  HN  )  1.8 0.0 3.65
assign (resid   49  and name  HN )(resid   49  and name  HB1  )  1.8 0.0 1.5
assign (resid   49  and name  HN )(resid   49  and name  HB2  )  1.8 0.0 1.5
assign (resid   49  and name  HN )(resid   49  and name  HD*  )  1.8 0.0 3.7
assign (resid   49  and name  HN )(resid   49  and name  HG1  )  1.8 0.0 3.17
assign (resid   49  and name  HN )(resid   49  and name  HG2  )  1.8 0.0 3.17
!assign (resid   49  and name  HN )(resid   50  and name  HD2*  )  1.8 0.0 3.51
assign (resid   49  and name  HN )(resid   50  and name  HN  )  1.8 0.0 1.66
assign (resid   49  and name  HN )(resid   51  and name  HN  )  1.8 0.0 2.79
!assign (resid   50  and name  HA )(resid   50  and name  HD1*  )  1.8 0.0 1.16
assign (resid   50  and name  HA )(resid   50  and name  HD2*  )  1.8 0.0 2.18
assign (resid   50  and name  HA )(resid   50  and name  HG  )  1.8 0.0 2
assign (resid   50  and name  HB* )(resid   51  and name  HG*  )  1.8 0.0 3.55
assign (resid   50  and name  HB* )(resid   53  and name  HN  )  1.8 0.0 3.47
assign (resid   50  and name  HB* )(resid   54  and name  HN  )  1.8 0.0 3.7
assign (resid   50  and name  HB1 )(resid   50  and name  HD1*  )  1.8 0.0 2.08
assign (resid   50  and name  HB1 )(resid   50  and name  HD2*  )  1.8 0.0 1.63
assign (resid   50  and name  HB1 )(resid   51  and name  HN  )  1.8 0.0 2.12
assign (resid   50  and name  HB2 )(resid   50  and name  HD1*  )  1.8 0.0 2.08
assign (resid   50  and name  HB2 )(resid   50  and name  HD2*  )  1.8 0.0 1.63
assign (resid   50  and name  HB2 )(resid   51  and name  HN  )  1.8 0.0 2.12
!assign (resid   50  and name  HD1* )(resid   51  and name  HN  )  1.8 0.0 2.68
assign (resid   50  and name  HD1* )(resid   52  and name  HN  )  1.8 0.0 3.52
assign (resid   50  and name  HD1* )(resid   53  and name  HA*  )  1.8 0.0 3.45
assign (resid   50  and name  HD1* )(resid   53  and name  HN  )  1.8 0.0 3.27
assign (resid   50  and name  HD1* )(resid   54  and name  HG*  )  1.8 0.0 1.96
assign (resid   50  and name  HD1* )(resid   54  and name  HN  )  1.8 0.0 3.53
assign (resid   50  and name  HD2* )(resid   53  and name  HA*  )  1.8 0.0 2.21
assign (resid   50  and name  HD2* )(resid   54  and name  HG*  )  1.8 0.0 3.17
assign (resid   50  and name  HG )(resid   54  and name  HG*  )  1.8 0.0 3.54
assign (resid   50  and name  HN )(resid   50  and name  HB1  )  1.8 0.0 1.77
assign (resid   50  and name  HN )(resid   50  and name  HB2  )  1.8 0.0 1.77
assign (resid   50  and name  HN )(resid   50  and name  HD1*  )  1.8 0.0 2.62
assign (resid   50  and name  HN )(resid   50  and name  HD2*  )  1.8 0.0 2.05
!assign (resid   50  and name  HN )(resid   51  and name  HG*  )  1.8 0.0 3.17
assign (resid   50  and name  HN )(resid   51  and name  HN  )  1.8 0.0 1.25
assign (resid   51  and name  HA )(resid   51  and name  HG1  )  1.8 0.0 2.16
assign (resid   51  and name  HA )(resid   51  and name  HG2  )  1.8 0.0 2.16
!assign (resid   51  and name  HA )(resid   52  and name  HD*  )  1.8 0.0 3.7
assign (resid   51  and name  HB* )(resid   53  and name  HN  )  1.8 0.0 3.31
assign (resid   51  and name  HB1 )(resid   52  and name  HD*  )  1.8 0.0 3.7
assign (resid   51  and name  HB1 )(resid   52  and name  HN  )  1.8 0.0 2.41
assign (resid   51  and name  HB2 )(resid   52  and name  HD*  )  1.8 0.0 3.7
assign (resid   51  and name  HB2 )(resid   52  and name  HN  )  1.8 0.0 2.41
assign (resid   51  and name  HG* )(resid   52  and name  HN  )  1.8 0.0 3.08
assign (resid   51  and name  HN )(resid   51  and name  HB1  )  1.8 0.0 2.31
assign (resid   51  and name  HN )(resid   51  and name  HB2  )  1.8 0.0 2.31
!assign (resid   51  and name  HN )(resid   51  and name  HG1  )  1.8 0.0 1.88
!assign (resid   51  and name  HN )(resid   51  and name  HG2  )  1.8 0.0 1.88
assign (resid   51  and name  HN )(resid   52  and name  HA  )  1.8 0.0 3.7
assign (resid   51  and name  HN )(resid   52  and name  HB*  )  1.8 0.0 3.7
assign (resid   51  and name  HN )(resid   52  and name  HN  )  1.8 0.0 1.55
assign (resid   51  and name  HN )(resid   53  and name  HN  )  1.8 0.0 2.93
assign (resid   52  and name  HA )(resid   52  and name  HD*  )  1.8 0.0 2.38
assign (resid   52  and name  HA )(resid   52  and name  HE*  )  1.8 0.0 3.7
!assign (resid   52  and name  HA )(resid   53  and name  HA*  )  1.8 0.0 2.82
assign (resid   52  and name  HA )(resid   54  and name  HN  )  1.8 0.0 2.77
assign (resid   52  and name  HA )(resid   55  and name  HB*  )  1.8 0.0 3.11
assign (resid   52  and name  HA )(resid   55  and name  HD1*  )  1.8 0.0 2.96
assign (resid   52  and name  HA )(resid   55  and name  HN  )  1.8 0.0 2.6
assign (resid   52  and name  HA )(resid   56  and name  HN  )  1.8 0.0 2.96
!assign (resid   52  and name  HB* )(resid   53  and name  HA*  )  1.8 0.0 3.01
assign (resid   52  and name  HB* )(resid   56  and name  HN  )  1.8 0.0 3.65
assign (resid   52  and name  HB1 )(resid   53  and name  HN  )  1.8 0.0 2.47
assign (resid   52  and name  HB1 )(resid   55  and name  HD1*  )  1.8 0.0 3.7
assign (resid   52  and name  HB2 )(resid   53  and name  HN  )  1.8 0.0 2.47
assign (resid   52  and name  HB2 )(resid   55  and name  HD1*  )  1.8 0.0 3.7
!assign (resid   52  and name  HD* )(resid   53  and name  HA*  )  1.8 0.0 4.44
assign (resid   52  and name  HD* )(resid   53  and name  HN  )  1.8 0.0 3.26
assign (resid   52  and name  HD* )(resid   55  and name  HB*  )  1.8 0.0 3
assign (resid   52  and name  HD* )(resid   55  and name  HD1*  )  1.8 0.0 2.44
assign (resid   52  and name  HN )(resid   52  and name  HB1  )  1.8 0.0 2.12
assign (resid   52  and name  HN )(resid   52  and name  HB2  )  1.8 0.0 2.12
assign (resid   52  and name  HN )(resid   52  and name  HD*  )  1.8 0.0 2.13
assign (resid   52  and name  HN )(resid   53  and name  HA*  )  1.8 0.0 3.2
assign (resid   52  and name  HN )(resid   55  and name  HD1*  )  1.8 0.0 3.7
assign (resid   53  and name  HA* )(resid   54  and name  HN  )  1.8 0.0 1.53
assign (resid   53  and name  HA* )(resid   55  and name  HN  )  1.8 0.0 2.75
assign (resid   53  and name  HN )(resid   53  and name  HA*  )  1.8 0.0 1.14
assign (resid   53  and name  HN )(resid   54  and name  HA  )  1.8 0.0 3.68
assign (resid   53  and name  HN )(resid   54  and name  HG*  )  1.8 0.0 3.7
assign (resid   54  and name  HA )(resid   54  and name  HG*  )  1.8 0.0 2.13
assign (resid   54  and name  HB* )(resid   54  and name  HG*  )  1.8 0.0 0.63
!assign (resid   54  and name  HB* )(resid   55  and name  HA  )  1.8 0.0 3.54
assign (resid   54  and name  HB* )(resid   55  and name  HN  )  1.8 0.0 1.83
!assign (resid   54  and name  HG* )(resid   55  and name  HB*  )  1.8 0.0 3.7
assign (resid   54  and name  HG* )(resid   55  and name  HN  )  1.8 0.0 2.73
assign (resid   54  and name  HN )(resid   54  and name  HB*  )  1.8 0.0 1.68
assign (resid   54  and name  HN )(resid   54  and name  HG*  )  1.8 0.0 1.87
assign (resid   55  and name  HA )(resid   55  and name  HD1*  )  1.8 0.0 2.84
assign (resid   55  and name  HA )(resid   55  and name  HD2*  )  1.8 0.0 2.35
assign (resid   55  and name  HB* )(resid   55  and name  HD2*  )  1.8 0.0 1.32
assign (resid   55  and name  HD1* )(resid   56  and name  HN  )  1.8 0.0 3.31
assign (resid   55  and name  HD2* )(resid   56  and name  HN  )  1.8 0.0 3.7
assign (resid   55  and name  HN )(resid   55  and name  HB1  )  1.8 0.0 2.73
assign (resid   55  and name  HN )(resid   55  and name  HB2  )  1.8 0.0 2.73
assign (resid   55  and name  HN )(resid   55  and name  HD2*  )  1.8 0.0 3.08
assign (resid   55  and name  HN )(resid   56  and name  HN  )  1.8 0.0 1.48
! created by  AutoStructure/RPF Version 2.2.1 Copyright(C) 2007

! ASN 2
 assign (resid   1 and name C ) (resid   2 and name N ) (resid   2 and name CA )
        (resid   2 and name C ) (resid   3 and name N ) 53.1 39.07
! LEU 3
 assign (resid   2 and name C ) (resid   3 and name N ) (resid   3 and name CA )
        (resid   3 and name C ) (resid   4 and name N ) 54.9 43.3
! ARG 4
 assign (resid   3 and name C ) (resid   4 and name N ) (resid   4 and name CA )
        (resid   4 and name C ) (resid   5 and name N ) 55.3 32.2
! TRP 5
 assign (resid   4 and name C ) (resid   5 and name N ) (resid   5 and name CA )
        (resid   5 and name C ) (resid   6 and name N ) 57.13 29.8
! THR 6
 assign (resid   5 and name C ) (resid   6 and name N ) (resid   6 and name CA )
        (resid   6 and name C ) (resid   7 and name N ) 61.38 29.6
! SER 7
 assign (resid   6 and name C ) (resid   7 and name N ) (resid   7 and name CA )
        (resid   7 and name C ) (resid   8 and name N ) 62.39 62.2
! GLU 8
 assign (resid   7 and name C ) (resid   8 and name N ) (resid   8 and name CA )
        (resid   8 and name C ) (resid   9 and name N ) 59.9 29.2
! ALA 9
 assign (resid   8 and name C ) (resid   9 and name N ) (resid   9 and name CA )
        (resid   9 and name C ) (resid  10 and name N ) 56 19.45
! LYS 10
 assign (resid   9 and name C ) (resid  10 and name N ) (resid  10 and name CA )
        (resid  10 and name C ) (resid  11 and name N ) 60.81 32.2
! THR 11
 assign (resid  10 and name C ) (resid  11 and name N ) (resid  11 and name CA )
        (resid  11 and name C ) (resid  12 and name N ) 66.7 68.6
! LYS 12
 assign (resid  11 and name C ) (resid  12 and name N ) (resid  12 and name CA )
        (resid  12 and name C ) (resid  13 and name N ) 58.79 32.5
! LEU 13
 assign (resid  12 and name C ) (resid  13 and name N ) (resid  13 and name CA )
        (resid  13 and name C ) (resid  14 and name N ) 57.69 42
! LYS 14
 assign (resid  13 and name C ) (resid  14 and name N ) (resid  14 and name CA )
        (resid  14 and name C ) (resid  15 and name N ) 58.33 31.77
! ASN 15
 assign (resid  14 and name C ) (resid  15 and name N ) (resid  15 and name CA )
        (resid  15 and name C ) (resid  16 and name N ) 53.6 39
! ILE 16
 assign (resid  15 and name C ) (resid  16 and name N ) (resid  16 and name CA )
        (resid  16 and name C ) (resid  17 and name N ) 59.23 38.19
! PRO 17
 assign (resid  16 and name C ) (resid  17 and name N ) (resid  17 and name CA )
        (resid  17 and name C ) (resid  18 and name N ) 63.25 32.7
! PHE 18
 assign (resid  17 and name C ) (resid  18 and name N ) (resid  18 and name CA )
        (resid  18 and name C ) (resid  19 and name N ) 62.09 39.3
! PHE 19
 assign (resid  18 and name C ) (resid  19 and name N ) (resid  19 and name CA )
        (resid  19 and name C ) (resid  20 and name N ) 59.03 37.5
! ALA 20
 assign (resid  19 and name C ) (resid  20 and name N ) (resid  20 and name CA )
        (resid  20 and name C ) (resid  21 and name N ) 51.1 20.2
! ARG 21
 assign (resid  20 and name C ) (resid  21 and name N ) (resid  21 and name CA )
        (resid  21 and name C ) (resid  22 and name N ) 61.21 30.8
! SER 22
 assign (resid  21 and name C ) (resid  22 and name N ) (resid  22 and name CA )
        (resid  22 and name C ) (resid  23 and name N ) 62 62
! GLN 23
 assign (resid  22 and name C ) (resid  23 and name N ) (resid  23 and name CA )
        (resid  23 and name C ) (resid  24 and name N ) 58.8 28.2
! ALA 24
 assign (resid  23 and name C ) (resid  24 and name N ) (resid  24 and name CA )
        (resid  24 and name C ) (resid  25 and name N ) 55.4 18.1
! LYS 25
 assign (resid  24 and name C ) (resid  25 and name N ) (resid  25 and name CA )
        (resid  25 and name C ) (resid  26 and name N ) 61.15 32.7
! ALA 26
 assign (resid  25 and name C ) (resid  26 and name N ) (resid  26 and name CA )
        (resid  26 and name C ) (resid  27 and name N ) 55.03 17.9
! ARG 27
 assign (resid  26 and name C ) (resid  27 and name N ) (resid  27 and name CA )
        (resid  27 and name C ) (resid  28 and name N ) 57.92 29.7
! ILE 28
 assign (resid  27 and name C ) (resid  28 and name N ) (resid  28 and name CA )
        (resid  28 and name C ) (resid  29 and name N ) 65.93 38
! GLU 29
 assign (resid  28 and name C ) (resid  29 and name N ) (resid  29 and name CA )
        (resid  29 and name C ) (resid  30 and name N ) 60.53 28.5
! GLN 30
 assign (resid  29 and name C ) (resid  30 and name N ) (resid  30 and name CA )
        (resid  30 and name C ) (resid  31 and name N ) 59.09 28.29
! LEU 31
 assign (resid  30 and name C ) (resid  31 and name N ) (resid  31 and name CA )
        (resid  31 and name C ) (resid  32 and name N ) 57.88 42.33
! ALA 32
 assign (resid  31 and name C ) (resid  32 and name N ) (resid  32 and name CA )
        (resid  32 and name C ) (resid  33 and name N ) 55.7 17.7
! ARG 33
 assign (resid  32 and name C ) (resid  33 and name N ) (resid  33 and name CA )
        (resid  33 and name C ) (resid  34 and name N ) 58.09 29.77
! GLN 34
 assign (resid  33 and name C ) (resid  34 and name N ) (resid  34 and name CA )
        (resid  34 and name C ) (resid  35 and name N ) 58.93 28.4
! ALA 35
 assign (resid  34 and name C ) (resid  35 and name N ) (resid  35 and name CA )
        (resid  35 and name C ) (resid  36 and name N ) 51.75 18.6
! GLU 36
 assign (resid  35 and name C ) (resid  36 and name N ) (resid  36 and name CA )
        (resid  36 and name C ) (resid  37 and name N ) 57.2 26.7
! GLN 37
 assign (resid  36 and name C ) (resid  37 and name N ) (resid  37 and name CA )
        (resid  37 and name C ) (resid  38 and name N ) 54.3 31.25
! ASP 38
 assign (resid  37 and name C ) (resid  38 and name N ) (resid  38 and name CA )
        (resid  38 and name C ) (resid  39 and name N ) 53.8 41.2
! ILE 39
 assign (resid  38 and name C ) (resid  39 and name N ) (resid  39 and name CA )
        (resid  39 and name C ) (resid  40 and name N ) 58.49 41.2
! VAL 40
 assign (resid  39 and name C ) (resid  40 and name N ) (resid  40 and name CA )
        (resid  40 and name C ) (resid  41 and name N ) 63.42 31.9
! THR 41
 assign (resid  40 and name C ) (resid  41 and name N ) (resid  41 and name CA )
        (resid  41 and name C ) (resid  42 and name N ) 58.55 68.57
! PRO 42
 assign (resid  41 and name C ) (resid  42 and name N ) (resid  42 and name CA )
        (resid  42 and name C ) (resid  43 and name N ) 65.65 31.5
! GLU 43
 assign (resid  42 and name C ) (resid  43 and name N ) (resid  43 and name CA )
        (resid  43 and name C ) (resid  44 and name N ) 60.7 28.2
! LEU 44
 assign (resid  43 and name C ) (resid  44 and name N ) (resid  44 and name CA )
        (resid  44 and name C ) (resid  45 and name N ) 57.5 42.32
! VAL 45
 assign (resid  44 and name C ) (resid  45 and name N ) (resid  45 and name CA )
        (resid  45 and name C ) (resid  46 and name N ) 65.9 31.02
! GLU 46
 assign (resid  45 and name C ) (resid  46 and name N ) (resid  46 and name CA )
        (resid  46 and name C ) (resid  47 and name N ) 58.3 29.1
! GLN 47
 assign (resid  46 and name C ) (resid  47 and name N ) (resid  47 and name CA )
        (resid  47 and name C ) (resid  48 and name N ) 58.98 28.05
! ALA 48
 assign (resid  47 and name C ) (resid  48 and name N ) (resid  48 and name CA )
        (resid  48 and name C ) (resid  49 and name N ) 54.62 19
! ARG 49
 assign (resid  48 and name C ) (resid  49 and name N ) (resid  49 and name CA )
        (resid  49 and name C ) (resid  50 and name N ) 59.8 30.02
! LEU 50
 assign (resid  49 and name C ) (resid  50 and name N ) (resid  50 and name CA )
        (resid  50 and name C ) (resid  51 and name N ) 56.99 41.8
! GLU 51
 assign (resid  50 and name C ) (resid  51 and name N ) (resid  51 and name CA )
        (resid  51 and name C ) (resid  52 and name N ) 58.1 29.9
! PHE 52
 assign (resid  51 and name C ) (resid  52 and name N ) (resid  52 and name CA )
        (resid  52 and name C ) (resid  53 and name N ) 59.2 39.3
! GLY 53
 assign (resid  52 and name C ) (resid  53 and name N ) (resid  53 and name CA )
        (resid  53 and name C ) (resid  54 and name N ) 45.81  $noexpectation
! GLN 54
 assign (resid  53 and name C ) (resid  54 and name N ) (resid  54 and name CA )
        (resid  54 and name C ) (resid  55 and name N ) 56 29.3
! LEU 55
 assign (resid  54 and name C ) (resid  55 and name N ) (resid  55 and name CA )
        (resid  55 and name C ) (resid  56 and name N ) 55.64 42.34

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1 -10.286  10.441  -3.844
    2    H2   MET   1           2H       MET   1 -10.821  11.289  -5.211
    3    H3   MET   1           3H       MET   1  -9.209  11.428  -4.707
    4    HA   MET   1           HA       MET   1 -10.505   8.959  -5.698
    5    HB2  MET   1           2HB      MET   1  -8.610  10.910  -7.009
    6    HB3  MET   1           3HB      MET   1  -8.832   9.268  -7.597
    7    HG2  MET   1           2HG      MET   1 -10.180  10.781  -8.879
    8    HG3  MET   1           3HG      MET   1 -11.219   9.725  -7.926
    9    HE1  MET   1           3HE      MET   1 -13.334  12.983  -7.982
   10    HE2  MET   1           1HE      MET   1 -13.344  11.232  -8.198
   11    HE3  MET   1           2HE      MET   1 -12.402  12.250  -9.287
   12    H    ASN   2           H        ASN   2  -7.312  10.476  -5.161
   13    HA   ASN   2           HA       ASN   2  -6.346   7.853  -4.233
   14    HB2  ASN   2           2HB      ASN   2  -4.098   8.659  -4.651
   15    HB3  ASN   2           3HB      ASN   2  -5.073   8.926  -6.088
   16   HD21  ASN   2          1HD2      ASN   2  -3.314  10.409  -3.500
   17   HD22  ASN   2          2HD2      ASN   2  -3.402  12.033  -4.096
   18    H    LEU   3           H        LEU   3  -4.925   7.845  -2.351
   19    HA   LEU   3           HA       LEU   3  -5.718   9.902  -0.420
   20    HB2  LEU   3           2HB      LEU   3  -4.491   7.174   0.001
   21    HB3  LEU   3           3HB      LEU   3  -4.870   8.307   1.286
   22    HG   LEU   3           HG       LEU   3  -6.858   6.987  -0.566
   23   HD11  LEU   3          1HD1      LEU   3  -7.634   5.868   1.450
   24   HD12  LEU   3          2HD1      LEU   3  -6.366   6.659   2.386
   25   HD13  LEU   3          3HD1      LEU   3  -5.940   5.496   1.131
   26   HD21  LEU   3          3HD2      LEU   3  -7.301   8.931   1.697
   27   HD22  LEU   3          1HD2      LEU   3  -8.566   8.061   0.830
   28   HD23  LEU   3          2HD2      LEU   3  -7.570   9.245  -0.018
   29    H    ARG   4           H        ARG   4  -3.817  10.109   1.348
   30    HA   ARG   4           HA       ARG   4  -1.676  11.334  -0.173
   31    HB2  ARG   4           2HB      ARG   4  -2.191  11.274   2.804
   32    HB3  ARG   4           3HB      ARG   4  -0.941  12.222   2.008
   33    HG2  ARG   4           2HG      ARG   4  -2.718  13.407   0.750
   34    HG3  ARG   4           3HG      ARG   4  -3.917  12.533   1.706
   35    HD2  ARG   4           2HD      ARG   4  -2.944  13.485   3.756
   36    HD3  ARG   4           3HD      ARG   4  -1.794  14.389   2.774
   37    HE   ARG   4           HE       ARG   4  -4.670  14.896   3.028
   38   HH11  ARG   4          1HH1      ARG   4  -1.593  15.729   1.555
   39   HH12  ARG   4          2HH1      ARG   4  -2.080  17.349   1.155
   40   HH21  ARG   4          1HH2      ARG   4  -5.316  17.024   2.482
   41   HH22  ARG   4          2HH2      ARG   4  -4.198  18.078   1.661
   42    H    TRP   5           H        TRP   5  -0.034  10.151  -0.788
   43    HA   TRP   5           HA       TRP   5   0.771   7.834   0.775
   44    HB2  TRP   5           2HB      TRP   5   1.588   8.817  -1.963
   45    HB3  TRP   5           3HB      TRP   5   2.353   7.450  -1.168
   46    HD1  TRP   5           HD1      TRP   5  -1.230   8.472  -2.301
   47    HE1  TRP   5           HE1      TRP   5  -2.459   6.318  -3.025
   48    HE3  TRP   5           HE3      TRP   5   2.407   5.056  -1.176
   49    HZ2  TRP   5           HZ2      TRP   5  -1.925   3.546  -3.120
   50    HZ3  TRP   5           HZ3      TRP   5   1.966   2.676  -1.623
   51    HH2  TRP   5           HH2      TRP   5  -0.155   1.942  -2.570
   52    H    THR   6           H        THR   6   2.362   7.911   2.193
   53    HA   THR   6           HA       THR   6   4.009  10.209   2.528
   54    HB   THR   6           HB       THR   6   5.246   8.740   4.177
   55    HG1  THR   6           HG1      THR   6   3.153   6.873   3.920
   56   HG21  THR   6          3HG2      THR   6   3.411  10.155   4.918
   57   HG22  THR   6          1HG2      THR   6   3.367   8.610   5.771
   58   HG23  THR   6          2HG2      THR   6   2.240   8.920   4.447
   59    H    SER   7           H        SER   7   6.372  10.214   2.385
   60    HA   SER   7           HA       SER   7   7.293   9.460  -0.132
   61    HB2  SER   7           2HB      SER   7   8.953  10.025   2.335
   62    HB3  SER   7           3HB      SER   7   9.506  10.117   0.662
   63    HG   SER   7           HG       SER   7   7.374  11.614   0.749
   64    H    GLU   8           H        GLU   8   7.624   7.855   2.993
   65    HA   GLU   8           HA       GLU   8   9.304   5.762   2.109
   66    HB2  GLU   8           2HB      GLU   8   7.307   5.621   4.370
   67    HB3  GLU   8           3HB      GLU   8   8.742   4.632   4.163
   68    HG2  GLU   8           2HG      GLU   8   9.437   6.122   5.753
   69    HG3  GLU   8           3HG      GLU   8   9.995   6.911   4.279
   70    H    ALA   9           H        ALA   9   5.786   6.104   2.303
   71    HA   ALA   9           HA       ALA   9   5.121   3.452   1.604
   72    HB1  ALA   9           3HB      ALA   9   3.502   4.974   2.602
   73    HB2  ALA   9           1HB      ALA   9   2.905   4.340   1.069
   74    HB3  ALA   9           2HB      ALA   9   3.540   5.982   1.156
   75    H    LYS  10           H        LYS  10   5.529   6.387  -0.341
   76    HA   LYS  10           HA       LYS  10   4.998   5.373  -2.862
   77    HB2  LYS  10           2HB      LYS  10   7.080   7.396  -2.018
   78    HB3  LYS  10           3HB      LYS  10   6.590   7.116  -3.684
   79    HG2  LYS  10           2HG      LYS  10   4.388   7.898  -3.251
   80    HG3  LYS  10           3HG      LYS  10   4.682   7.944  -1.513
   81    HD2  LYS  10           2HD      LYS  10   4.771  10.183  -2.473
   82    HD3  LYS  10           3HD      LYS  10   6.347   9.704  -1.839
   83    HE2  LYS  10           2HE      LYS  10   7.090   9.141  -4.095
   84    HE3  LYS  10           3HE      LYS  10   5.508   9.582  -4.735
   85    HZ1  LYS  10           3HZ      LYS  10   7.396  11.421  -3.365
   86    HZ2  LYS  10           1HZ      LYS  10   5.869  11.844  -3.975
   87    HZ3  LYS  10           2HZ      LYS  10   7.107  11.365  -5.035
   88    H    THR  11           H        THR  11   8.076   5.320  -1.073
   89    HA   THR  11           HA       THR  11   9.573   3.993  -3.056
   90    HB   THR  11           HB       THR  11  10.013   3.892  -0.065
   91    HG1  THR  11           HG1      THR  11  10.814   5.870  -0.217
   92   HG21  THR  11          3HG2      THR  11  12.382   3.604  -0.684
   93   HG22  THR  11          1HG2      THR  11  11.924   3.557  -2.387
   94   HG23  THR  11          2HG2      THR  11  11.382   2.285  -1.292
   95    H    LYS  12           H        LYS  12   7.683   2.790  -0.312
   96    HA   LYS  12           HA       LYS  12   8.331   0.068  -0.594
   97    HB2  LYS  12           2HB      LYS  12   6.106   1.583   0.700
   98    HB3  LYS  12           3HB      LYS  12   5.955  -0.159   0.528
   99    HG2  LYS  12           2HG      LYS  12   8.284   1.204   1.850
  100    HG3  LYS  12           3HG      LYS  12   6.878   0.569   2.710
  101    HD2  LYS  12           2HD      LYS  12   7.344  -1.658   1.859
  102    HD3  LYS  12           3HD      LYS  12   8.714  -1.039   0.938
  103    HE2  LYS  12           2HE      LYS  12   9.836  -0.413   3.004
  104    HE3  LYS  12           3HE      LYS  12   8.451  -0.974   3.939
  105    HZ1  LYS  12           3HZ      LYS  12   8.855  -3.195   3.299
  106    HZ2  LYS  12           1HZ      LYS  12  10.354  -2.564   3.782
  107    HZ3  LYS  12           2HZ      LYS  12  10.002  -2.741   2.133
  108    H    LEU  13           H        LEU  13   5.802   2.036  -2.060
  109    HA   LEU  13           HA       LEU  13   4.393  -0.042  -3.329
  110    HB2  LEU  13           2HB      LEU  13   3.554   2.265  -3.055
  111    HB3  LEU  13           3HB      LEU  13   4.739   2.829  -4.215
  112    HG   LEU  13           HG       LEU  13   3.645   1.503  -5.978
  113   HD11  LEU  13          1HD1      LEU  13   1.612   0.846  -3.855
  114   HD12  LEU  13          2HD1      LEU  13   2.757  -0.288  -4.572
  115   HD13  LEU  13          3HD1      LEU  13   1.496   0.442  -5.567
  116   HD21  LEU  13          3HD2      LEU  13   1.751   3.298  -4.464
  117   HD22  LEU  13          1HD2      LEU  13   1.623   2.854  -6.167
  118   HD23  LEU  13          2HD2      LEU  13   2.984   3.829  -5.611
  119    H    LYS  14           H        LYS  14   7.258   1.763  -4.227
  120    HA   LYS  14           HA       LYS  14   7.442   0.842  -6.906
  121    HB2  LYS  14           2HB      LYS  14   9.630   1.812  -5.052
  122    HB3  LYS  14           3HB      LYS  14   9.763   1.653  -6.797
  123    HG2  LYS  14           2HG      LYS  14   8.191   3.402  -7.155
  124    HG3  LYS  14           3HG      LYS  14   7.772   3.456  -5.441
  125    HD2  LYS  14           2HD      LYS  14  10.127   4.121  -4.960
  126    HD3  LYS  14           3HD      LYS  14  10.406   4.221  -6.699
  127    HE2  LYS  14           2HE      LYS  14   8.271   5.772  -5.247
  128    HE3  LYS  14           3HE      LYS  14   9.883   6.402  -5.580
  129    HZ1  LYS  14           3HZ      LYS  14   8.067   5.410  -7.708
  130    HZ2  LYS  14           1HZ      LYS  14   9.492   6.314  -7.892
  131    HZ3  LYS  14           2HZ      LYS  14   8.110   7.030  -7.211
  132    H    ASN  15           H        ASN  15   8.380  -0.507  -3.831
  133    HA   ASN  15           HA       ASN  15  10.197  -2.454  -4.902
  134    HB2  ASN  15           2HB      ASN  15   8.844  -2.231  -2.209
  135    HB3  ASN  15           3HB      ASN  15   9.987  -3.503  -2.617
  136   HD21  ASN  15          1HD2      ASN  15  10.252  -1.592  -0.536
  137   HD22  ASN  15          2HD2      ASN  15  11.672  -0.658  -0.868
  138    H    ILE  16           H        ILE  16   6.845  -2.193  -4.813
  139    HA   ILE  16           HA       ILE  16   6.294  -5.035  -4.788
  140    HB   ILE  16           HB       ILE  16   4.507  -2.649  -5.338
  141   HG12  ILE  16          2HG1      ILE  16   4.810  -4.427  -2.907
  142   HG13  ILE  16          3HG1      ILE  16   5.367  -2.764  -3.044
  143   HG21  ILE  16          1HG2      ILE  16   3.748  -5.543  -4.951
  144   HG22  ILE  16          2HG2      ILE  16   3.628  -4.629  -6.455
  145   HG23  ILE  16          3HG2      ILE  16   2.622  -4.192  -5.073
  146   HD11  ILE  16          3HD1      ILE  16   3.310  -2.908  -1.768
  147   HD12  ILE  16          1HD1      ILE  16   2.501  -3.677  -3.132
  148   HD13  ILE  16          2HD1      ILE  16   3.059  -2.009  -3.265
  149    HA   PRO  17           HA       PRO  17   7.002  -5.798  -9.114
  150    HB2  PRO  17           2HB      PRO  17   4.618  -7.565  -8.840
  151    HB3  PRO  17           3HB      PRO  17   6.226  -7.931  -9.477
  152    HG2  PRO  17           2HG      PRO  17   5.504  -8.786  -7.068
  153    HG3  PRO  17           3HG      PRO  17   7.149  -8.192  -7.363
  154    HD2  PRO  17           2HD      PRO  17   4.862  -6.847  -5.995
  155    HD3  PRO  17           3HD      PRO  17   6.591  -6.800  -5.607
  156    H    PHE  18           H        PHE  18   6.305  -4.916 -10.956
  157    HA   PHE  18           HA       PHE  18   4.379  -2.900 -10.898
  158    HB2  PHE  18           2HB      PHE  18   5.940  -2.498 -12.503
  159    HB3  PHE  18           3HB      PHE  18   6.071  -4.188 -12.965
  160    HD1  PHE  18           HD1      PHE  18   3.947  -1.169 -13.319
  161    HD2  PHE  18           HD2      PHE  18   4.962  -5.007 -14.849
  162    HE1  PHE  18           HE1      PHE  18   2.597  -0.723 -15.327
  163    HE2  PHE  18           HE2      PHE  18   3.613  -4.569 -16.857
  164    HZ   PHE  18           HZ       PHE  18   2.430  -2.424 -17.099
  165    H    PHE  19           H        PHE  19   4.105  -6.239 -11.955
  166    HA   PHE  19           HA       PHE  19   1.687  -6.013 -13.358
  167    HB2  PHE  19           2HB      PHE  19   2.777  -8.378 -11.826
  168    HB3  PHE  19           3HB      PHE  19   1.461  -8.446 -12.992
  169    HD1  PHE  19           HD2      PHE  19   1.929  -7.929 -15.389
  170    HD2  PHE  19           HD1      PHE  19   5.031  -8.403 -12.515
  171    HE1  PHE  19           HE2      PHE  19   3.557  -8.266 -17.205
  172    HE2  PHE  19           HE1      PHE  19   6.662  -8.742 -14.323
  173    HZ   PHE  19           HZ       PHE  19   5.925  -8.673 -16.674
  174    H    ALA  20           H        ALA  20   2.341  -6.116  -9.939
  175    HA   ALA  20           HA       ALA  20  -0.549  -6.368  -9.422
  176    HB1  ALA  20           3HB      ALA  20   1.704  -7.195  -7.595
  177    HB2  ALA  20           1HB      ALA  20   0.758  -8.287  -8.609
  178    HB3  ALA  20           2HB      ALA  20  -0.026  -7.400  -7.299
  179    H    ARG  21           H        ARG  21   1.462  -3.972  -9.734
  180    HA   ARG  21           HA       ARG  21   1.472  -2.777  -7.146
  181    HB2  ARG  21           2HB      ARG  21   2.206  -1.826  -9.874
  182    HB3  ARG  21           3HB      ARG  21   1.989  -0.643  -8.592
  183    HG2  ARG  21           2HG      ARG  21   3.562  -2.202  -7.245
  184    HG3  ARG  21           3HG      ARG  21   4.013  -2.813  -8.836
  185    HD2  ARG  21           2HD      ARG  21   4.074   0.097  -8.079
  186    HD3  ARG  21           3HD      ARG  21   5.461  -0.981  -7.936
  187    HE   ARG  21           HE       ARG  21   4.135  -0.388 -10.509
  188   HH11  ARG  21          1HH1      ARG  21   6.960  -0.987  -8.550
  189   HH12  ARG  21          2HH1      ARG  21   8.095  -0.682  -9.830
  190   HH21  ARG  21          1HH2      ARG  21   5.616   0.041 -12.219
  191   HH22  ARG  21          2HH2      ARG  21   7.328  -0.083 -11.918
  192    H    SER  22           H        SER  22  -0.531  -2.257 -10.040
  193    HA   SER  22           HA       SER  22  -2.233  -0.326  -8.924
  194    HB2  SER  22           2HB      SER  22  -2.233  -0.885 -11.321
  195    HB3  SER  22           3HB      SER  22  -2.868  -2.488 -10.954
  196    HG   SER  22           HG       SER  22  -4.182  -0.035 -10.344
  197    H    GLN  23           H        GLN  23  -2.363  -3.847  -8.934
  198    HA   GLN  23           HA       GLN  23  -4.713  -4.271  -7.516
  199    HB2  GLN  23           2HB      GLN  23  -3.519  -6.080  -8.601
  200    HB3  GLN  23           3HB      GLN  23  -2.133  -5.853  -7.544
  201    HG2  GLN  23           2HG      GLN  23  -3.310  -7.767  -6.796
  202    HG3  GLN  23           3HG      GLN  23  -3.591  -6.479  -5.625
  203   HE21  GLN  23          1HE2      GLN  23  -5.634  -5.523  -5.506
  204   HE22  GLN  23          2HE2      GLN  23  -7.032  -6.286  -6.178
  205    H    ALA  24           H        ALA  24  -1.392  -3.930  -6.302
  206    HA   ALA  24           HA       ALA  24  -2.036  -4.212  -3.574
  207    HB1  ALA  24           3HB      ALA  24   0.196  -3.402  -3.133
  208    HB2  ALA  24           1HB      ALA  24   0.330  -2.795  -4.784
  209    HB3  ALA  24           2HB      ALA  24   0.223  -4.530  -4.490
  210    H    LYS  25           H        LYS  25  -1.592  -1.329  -5.613
  211    HA   LYS  25           HA       LYS  25  -1.786   0.624  -3.651
  212    HB2  LYS  25           2HB      LYS  25  -1.181   1.054  -6.008
  213    HB3  LYS  25           3HB      LYS  25  -2.847   0.755  -6.479
  214    HG2  LYS  25           2HG      LYS  25  -3.589   2.679  -5.222
  215    HG3  LYS  25           3HG      LYS  25  -1.949   2.953  -4.631
  216    HD2  LYS  25           2HD      LYS  25  -1.194   3.317  -6.938
  217    HD3  LYS  25           3HD      LYS  25  -2.845   3.069  -7.508
  218    HE2  LYS  25           2HE      LYS  25  -1.946   5.247  -5.626
  219    HE3  LYS  25           3HE      LYS  25  -2.259   5.451  -7.347
  220    HZ1  LYS  25           3HZ      LYS  25  -4.565   4.406  -6.599
  221    HZ2  LYS  25           1HZ      LYS  25  -4.265   6.075  -6.546
  222    HZ3  LYS  25           2HZ      LYS  25  -4.140   5.143  -5.134
  223    H    ALA  26           H        ALA  26  -4.361  -0.997  -5.467
  224    HA   ALA  26           HA       ALA  26  -6.535   0.426  -4.402
  225    HB1  ALA  26           3HB      ALA  26  -6.732  -1.032  -6.351
  226    HB2  ALA  26           1HB      ALA  26  -7.896  -1.481  -5.103
  227    HB3  ALA  26           2HB      ALA  26  -6.435  -2.442  -5.333
  228    H    ARG  27           H        ARG  27  -4.838  -2.459  -3.276
  229    HA   ARG  27           HA       ARG  27  -6.546  -3.004  -1.082
  230    HB2  ARG  27           2HB      ARG  27  -3.615  -3.685  -1.380
  231    HB3  ARG  27           3HB      ARG  27  -4.760  -4.458  -0.292
  232    HG2  ARG  27           2HG      ARG  27  -4.978  -4.491  -3.291
  233    HG3  ARG  27           3HG      ARG  27  -4.253  -5.775  -2.325
  234    HD2  ARG  27           2HD      ARG  27  -7.054  -4.810  -1.862
  235    HD3  ARG  27           3HD      ARG  27  -6.679  -6.070  -3.038
  236    HE   ARG  27           HE       ARG  27  -5.488  -6.807  -0.629
  237   HH11  ARG  27          1HH1      ARG  27  -8.699  -6.325  -1.937
  238   HH12  ARG  27          2HH1      ARG  27  -9.453  -7.457  -0.850
  239   HH21  ARG  27          1HH2      ARG  27  -6.429  -8.282   0.773
  240   HH22  ARG  27          2HH2      ARG  27  -8.143  -8.581   0.714
  241    H    ILE  28           H        ILE  28  -3.462  -1.277  -1.327
  242    HA   ILE  28           HA       ILE  28  -3.040  -0.753   1.376
  243    HB   ILE  28           HB       ILE  28  -2.237   0.932  -1.003
  244   HG12  ILE  28          2HG1      ILE  28  -0.600  -1.114   0.495
  245   HG13  ILE  28          3HG1      ILE  28  -1.523  -1.506  -0.952
  246   HG21  ILE  28          1HG2      ILE  28  -0.475   1.821   0.440
  247   HG22  ILE  28          2HG2      ILE  28  -1.113   0.892   1.798
  248   HG23  ILE  28          3HG2      ILE  28  -2.076   2.187   1.084
  249   HD11  ILE  28          3HD1      ILE  28   0.807  -1.115  -1.477
  250   HD12  ILE  28          1HD1      ILE  28   0.715   0.493  -0.758
  251   HD13  ILE  28          2HD1      ILE  28  -0.211   0.125  -2.213
  252    H    GLU  29           H        GLU  29  -4.631   1.300  -1.062
  253    HA   GLU  29           HA       GLU  29  -5.186   3.403   0.756
  254    HB2  GLU  29           2HB      GLU  29  -6.444   2.751  -1.919
  255    HB3  GLU  29           3HB      GLU  29  -6.633   4.272  -1.051
  256    HG2  GLU  29           2HG      GLU  29  -4.280   4.734  -1.239
  257    HG3  GLU  29           3HG      GLU  29  -3.993   3.156  -1.971
  258    H    GLN  30           H        GLN  30  -6.931   0.505  -0.168
  259    HA   GLN  30           HA       GLN  30  -9.392   1.229   1.084
  260    HB2  GLN  30           2HB      GLN  30  -9.117  -0.575  -0.650
  261    HB3  GLN  30           3HB      GLN  30  -8.340  -1.562   0.581
  262    HG2  GLN  30           2HG      GLN  30 -10.371  -1.515   1.919
  263    HG3  GLN  30           3HG      GLN  30 -11.151  -0.496   0.713
  264   HE21  GLN  30          1HE2      GLN  30  -9.013  -3.194   0.013
  265   HE22  GLN  30          2HE2      GLN  30 -10.226  -4.197  -0.714
  266    H    LEU  31           H        LEU  31  -6.452  -0.397   2.121
  267    HA   LEU  31           HA       LEU  31  -7.305  -1.184   4.693
  268    HB2  LEU  31           2HB      LEU  31  -4.559  -0.450   3.667
  269    HB3  LEU  31           3HB      LEU  31  -4.860  -1.167   5.237
  270    HG   LEU  31           HG       LEU  31  -5.670  -2.521   2.670
  271   HD11  LEU  31          1HD1      LEU  31  -3.637  -3.864   2.880
  272   HD12  LEU  31          2HD1      LEU  31  -3.102  -2.841   4.216
  273   HD13  LEU  31          3HD1      LEU  31  -3.267  -2.164   2.596
  274   HD21  LEU  31          3HD2      LEU  31  -5.208  -3.542   5.471
  275   HD22  LEU  31          1HD2      LEU  31  -5.676  -4.518   4.078
  276   HD23  LEU  31          2HD2      LEU  31  -6.778  -3.290   4.704
  277    H    ALA  32           H        ALA  32  -5.907   1.797   3.439
  278    HA   ALA  32           HA       ALA  32  -5.624   3.160   5.872
  279    HB1  ALA  32           3HB      ALA  32  -4.620   3.944   3.793
  280    HB2  ALA  32           1HB      ALA  32  -5.607   5.202   4.537
  281    HB3  ALA  32           2HB      ALA  32  -6.222   4.306   3.147
  282    H    ARG  33           H        ARG  33  -8.396   2.787   3.712
  283    HA   ARG  33           HA       ARG  33 -10.083   4.535   5.193
  284    HB2  ARG  33           2HB      ARG  33 -10.796   2.317   3.276
  285    HB3  ARG  33           3HB      ARG  33 -11.922   3.513   3.904
  286    HG2  ARG  33           2HG      ARG  33  -9.571   3.975   2.094
  287    HG3  ARG  33           3HG      ARG  33 -11.279   4.195   1.727
  288    HD2  ARG  33           2HD      ARG  33  -9.537   5.838   3.546
  289    HD3  ARG  33           3HD      ARG  33 -10.390   6.359   2.095
  290    HE   ARG  33           HE       ARG  33 -11.702   5.661   4.650
  291   HH11  ARG  33          1HH1      ARG  33 -11.674   7.364   1.595
  292   HH12  ARG  33          2HH1      ARG  33 -12.995   8.409   2.024
  293   HH21  ARG  33          1HH2      ARG  33 -13.422   7.015   5.229
  294   HH22  ARG  33          2HH2      ARG  33 -13.993   8.215   4.097
  295    H    GLN  34           H        GLN  34  -9.202   1.183   5.489
  296    HA   GLN  34           HA       GLN  34 -11.283   0.413   7.262
  297    HB2  GLN  34           2HB      GLN  34  -9.681  -1.128   6.026
  298    HB3  GLN  34           3HB      GLN  34  -8.468  -0.692   7.221
  299    HG2  GLN  34           2HG      GLN  34  -9.940  -1.569   8.991
  300    HG3  GLN  34           3HG      GLN  34 -11.094  -2.066   7.756
  301   HE21  GLN  34          1HE2      GLN  34  -7.595  -2.257   7.458
  302   HE22  GLN  34          2HE2      GLN  34  -7.513  -3.989   7.435
  303    H    ALA  35           H        ALA  35  -8.325   2.171   7.578
  304    HA   ALA  35           HA       ALA  35  -8.583   2.289  10.498
  305    HB1  ALA  35           3HB      ALA  35  -6.365   3.314  10.455
  306    HB2  ALA  35           1HB      ALA  35  -6.381   3.279   8.691
  307    HB3  ALA  35           2HB      ALA  35  -6.375   1.769   9.604
  308    H    GLU  36           H        GLU  36  -9.680   3.905   7.847
  309    HA   GLU  36           HA       GLU  36 -10.522   5.943   7.379
  310    HB2  GLU  36           2HB      GLU  36 -10.891   5.699  10.317
  311    HB3  GLU  36           3HB      GLU  36 -11.204   7.263   9.571
  312    HG2  GLU  36           2HG      GLU  36 -12.441   4.664   8.705
  313    HG3  GLU  36           3HG      GLU  36 -13.216   5.851   9.760
  314    H    GLN  37           H        GLN  37  -7.800   5.821   7.319
  315    HA   GLN  37           HA       GLN  37  -6.989   8.481   8.294
  316    HB2  GLN  37           2HB      GLN  37  -4.667   7.681   8.027
  317    HB3  GLN  37           3HB      GLN  37  -5.580   6.679   9.147
  318    HG2  GLN  37           2HG      GLN  37  -5.999   5.158   7.122
  319    HG3  GLN  37           3HG      GLN  37  -4.683   6.048   6.360
  320   HE21  GLN  37          1HE2      GLN  37  -3.290   6.405   8.930
  321   HE22  GLN  37          2HE2      GLN  37  -2.586   4.865   9.290
  322    H    ASP  38           H        ASP  38  -6.064   9.933   6.830
  323    HA   ASP  38           HA       ASP  38  -6.865   9.475   4.060
  324    HB2  ASP  38           2HB      ASP  38  -5.671  11.955   5.325
  325    HB3  ASP  38           3HB      ASP  38  -6.385  11.848   3.723
  326    H    ILE  39           H        ILE  39  -4.165   9.122   5.973
  327    HA   ILE  39           HA       ILE  39  -2.301   9.466   3.717
  328    HB   ILE  39           HB       ILE  39  -1.658   9.628   6.672
  329   HG12  ILE  39          2HG1      ILE  39  -1.824  11.902   4.688
  330   HG13  ILE  39          3HG1      ILE  39  -3.113  11.494   5.815
  331   HG21  ILE  39          1HG2      ILE  39   0.215   8.899   5.301
  332   HG22  ILE  39          2HG2      ILE  39   0.488  10.530   5.915
  333   HG23  ILE  39          3HG2      ILE  39  -0.005  10.288   4.238
  334   HD11  ILE  39          3HD1      ILE  39  -1.629  11.947   7.687
  335   HD12  ILE  39          1HD1      ILE  39  -1.769  13.346   6.622
  336   HD13  ILE  39          2HD1      ILE  39  -0.324  12.336   6.564
  337    H    VAL  40           H        VAL  40  -1.259   7.672   3.056
  338    HA   VAL  40           HA       VAL  40  -1.621   5.249   4.652
  339    HB   VAL  40           HB       VAL  40  -1.028   3.962   2.716
  340   HG11  VAL  40          1HG1      VAL  40  -3.322   4.741   2.797
  341   HG12  VAL  40          2HG1      VAL  40  -2.764   4.636   1.129
  342   HG13  VAL  40          3HG1      VAL  40  -2.875   6.206   1.922
  343   HG21  VAL  40          3HG2      VAL  40  -0.414   4.986   0.573
  344   HG22  VAL  40          1HG2      VAL  40   0.774   5.325   1.834
  345   HG23  VAL  40          2HG2      VAL  40  -0.381   6.570   1.348
  346    H    THR  41           H        THR  41  -0.001   4.196   5.602
  347    HA   THR  41           HA       THR  41   2.654   5.413   5.500
  348    HB   THR  41           HB       THR  41   3.126   4.028   7.496
  349    HG1  THR  41           HG1      THR  41   0.982   3.095   8.388
  350   HG21  THR  41          3HG2      THR  41   1.580   5.159   9.047
  351   HG22  THR  41          1HG2      THR  41   0.561   5.616   7.682
  352   HG23  THR  41          2HG2      THR  41   2.197   6.261   7.817
  353    HA   PRO  42           HA       PRO  42   4.530   2.066   3.234
  354    HB2  PRO  42           2HB      PRO  42   6.710   1.472   4.818
  355    HB3  PRO  42           3HB      PRO  42   6.652   2.810   3.666
  356    HG2  PRO  42           2HG      PRO  42   6.209   2.836   6.627
  357    HG3  PRO  42           3HG      PRO  42   7.098   3.991   5.615
  358    HD2  PRO  42           2HD      PRO  42   4.626   4.524   6.496
  359    HD3  PRO  42           3HD      PRO  42   5.157   5.025   4.875
  360    H    GLU  43           H        GLU  43   3.656   1.758   6.535
  361    HA   GLU  43           HA       GLU  43   4.075  -1.032   6.861
  362    HB2  GLU  43           2HB      GLU  43   2.230   0.873   8.319
  363    HB3  GLU  43           3HB      GLU  43   2.661  -0.745   8.864
  364    HG2  GLU  43           2HG      GLU  43   4.892  -0.138   9.264
  365    HG3  GLU  43           3HG      GLU  43   4.736   1.352   8.339
  366    H    LEU  44           H        LEU  44   1.317   0.966   5.887
  367    HA   LEU  44           HA       LEU  44  -0.527  -1.158   5.540
  368    HB2  LEU  44           2HB      LEU  44  -0.334   1.660   4.609
  369    HB3  LEU  44           3HB      LEU  44  -1.447   0.599   3.770
  370    HG   LEU  44           HG       LEU  44  -2.616   0.153   5.886
  371   HD11  LEU  44          1HD1      LEU  44  -2.132   1.499   7.862
  372   HD12  LEU  44          2HD1      LEU  44  -0.733   2.200   7.049
  373   HD13  LEU  44          3HD1      LEU  44  -0.757   0.479   7.435
  374   HD21  LEU  44          3HD2      LEU  44  -3.623   2.371   6.118
  375   HD22  LEU  44          1HD2      LEU  44  -3.383   1.931   4.428
  376   HD23  LEU  44          2HD2      LEU  44  -2.282   3.068   5.208
  377    H    VAL  45           H        VAL  45   1.766   0.441   3.390
  378    HA   VAL  45           HA       VAL  45   1.119  -0.914   1.025
  379    HB   VAL  45           HB       VAL  45   3.860   0.054   1.857
  380   HG11  VAL  45          1HG1      VAL  45   3.871  -1.418  -0.098
  381   HG12  VAL  45          2HG1      VAL  45   4.286   0.241  -0.532
  382   HG13  VAL  45          3HG1      VAL  45   2.674  -0.384  -0.878
  383   HG21  VAL  45          3HG2      VAL  45   2.216   1.833   2.074
  384   HG22  VAL  45          1HG2      VAL  45   1.645   1.521   0.436
  385   HG23  VAL  45          2HG2      VAL  45   3.279   2.132   0.697
  386    H    GLU  46           H        GLU  46   3.396  -1.698   3.613
  387    HA   GLU  46           HA       GLU  46   4.455  -4.044   2.499
  388    HB2  GLU  46           2HB      GLU  46   5.304  -2.745   4.522
  389    HB3  GLU  46           3HB      GLU  46   4.055  -3.561   5.451
  390    HG2  GLU  46           2HG      GLU  46   6.062  -4.761   5.786
  391    HG3  GLU  46           3HG      GLU  46   5.061  -5.739   4.713
  392    H    GLN  47           H        GLN  47   1.663  -3.499   4.630
  393    HA   GLN  47           HA       GLN  47   0.922  -6.109   5.145
  394    HB2  GLN  47           2HB      GLN  47  -0.653  -3.572   4.855
  395    HB3  GLN  47           3HB      GLN  47  -1.481  -5.093   5.130
  396    HG2  GLN  47           2HG      GLN  47   0.732  -4.220   6.932
  397    HG3  GLN  47           3HG      GLN  47  -0.900  -3.592   7.134
  398   HE21  GLN  47          1HE2      GLN  47  -0.355  -6.837   5.992
  399   HE22  GLN  47          2HE2      GLN  47  -0.850  -7.643   7.435
  400    H    ALA  48           H        ALA  48  -0.079  -4.096   2.379
  401    HA   ALA  48           HA       ALA  48  -1.679  -6.070   1.155
  402    HB1  ALA  48           3HB      ALA  48  -1.568  -4.675  -0.838
  403    HB2  ALA  48           1HB      ALA  48  -0.241  -3.754  -0.129
  404    HB3  ALA  48           2HB      ALA  48  -1.842  -3.696   0.603
  405    H    ARG  49           H        ARG  49   1.735  -5.338   1.002
  406    HA   ARG  49           HA       ARG  49   2.312  -6.998  -1.247
  407    HB2  ARG  49           2HB      ARG  49   3.755  -5.133  -0.577
  408    HB3  ARG  49           3HB      ARG  49   4.108  -5.947   0.941
  409    HG2  ARG  49           2HG      ARG  49   5.049  -7.838  -0.450
  410    HG3  ARG  49           3HG      ARG  49   4.935  -6.741  -1.830
  411    HD2  ARG  49           2HD      ARG  49   6.437  -5.203  -0.847
  412    HD3  ARG  49           3HD      ARG  49   6.353  -6.022   0.712
  413    HE   ARG  49           HE       ARG  49   7.651  -7.140  -1.699
  414   HH11  ARG  49          1HH1      ARG  49   7.443  -6.711   1.777
  415   HH12  ARG  49          2HH1      ARG  49   8.807  -7.750   2.109
  416   HH21  ARG  49          1HH2      ARG  49   9.420  -8.504  -1.268
  417   HH22  ARG  49          2HH2      ARG  49   9.919  -8.791   0.372
  418    H    LEU  50           H        LEU  50   2.246  -7.384   2.213
  419    HA   LEU  50           HA       LEU  50   3.516  -9.931   2.288
  420    HB2  LEU  50           2HB      LEU  50   2.824  -7.988   4.127
  421    HB3  LEU  50           3HB      LEU  50   1.740  -9.310   4.519
  422    HG   LEU  50           HG       LEU  50   3.833  -9.342   5.844
  423   HD11  LEU  50          1HD1      LEU  50   2.599 -11.417   5.421
  424   HD12  LEU  50          2HD1      LEU  50   4.335 -11.697   5.534
  425   HD13  LEU  50          3HD1      LEU  50   3.548 -11.675   3.957
  426   HD21  LEU  50          3HD2      LEU  50   5.138  -9.888   3.180
  427   HD22  LEU  50          1HD2      LEU  50   5.930  -9.940   4.758
  428   HD23  LEU  50          2HD2      LEU  50   5.310  -8.410   4.131
  429    H    GLU  51           H        GLU  51   0.132  -8.833   2.344
  430    HA   GLU  51           HA       GLU  51  -0.978 -11.370   2.827
  431    HB2  GLU  51           2HB      GLU  51  -3.096 -10.453   2.030
  432    HB3  GLU  51           3HB      GLU  51  -2.289  -9.337   3.118
  433    HG2  GLU  51           2HG      GLU  51  -1.519  -8.035   1.194
  434    HG3  GLU  51           3HG      GLU  51  -2.367  -9.149   0.119
  435    H    PHE  52           H        PHE  52  -0.117  -9.730  -0.196
  436    HA   PHE  52           HA       PHE  52  -1.112 -11.777  -1.895
  437    HB2  PHE  52           2HB      PHE  52   1.058  -9.724  -2.368
  438    HB3  PHE  52           3HB      PHE  52   0.391 -10.770  -3.618
  439    HD1  PHE  52           HD1      PHE  52  -2.491 -10.615  -2.443
  440    HD2  PHE  52           HD2      PHE  52   0.421  -7.696  -3.497
  441    HE1  PHE  52           HE1      PHE  52  -4.283  -8.985  -2.864
  442    HE2  PHE  52           HE2      PHE  52  -1.366  -6.060  -3.917
  443    HZ   PHE  52           HZ       PHE  52  -3.722  -6.704  -3.599
  444    H    GLY  53           H        GLY  53   1.915 -11.300  -0.205
  445    HA2  GLY  53           2HA      GLY  53   3.356 -13.403  -1.451
  446    HA3  GLY  53           3HA      GLY  53   3.715 -12.687   0.117
  447    H    GLN  54           H        GLN  54   1.202 -13.271   1.329
  448    HA   GLN  54           HA       GLN  54   1.779 -15.913   2.236
  449    HB2  GLN  54           2HB      GLN  54  -0.548 -14.087   2.850
  450    HB3  GLN  54           3HB      GLN  54  -0.195 -15.585   3.700
  451    HG2  GLN  54           2HG      GLN  54   1.870 -14.690   4.534
  452    HG3  GLN  54           3HG      GLN  54   1.679 -13.236   3.556
  453   HE21  GLN  54          1HE2      GLN  54  -1.220 -13.136   4.124
  454   HE22  GLN  54          2HE2      GLN  54  -1.342 -12.513   5.736
  455    H    LEU  55           H        LEU  55  -0.668 -14.522   0.103
  456    HA   LEU  55           HA       LEU  55  -2.143 -17.016   0.064
  457    HB2  LEU  55           2HB      LEU  55  -3.665 -15.858  -1.505
  458    HB3  LEU  55           3HB      LEU  55  -3.474 -15.038   0.029
  459    HG   LEU  55           HG       LEU  55  -1.751 -13.559  -1.226
  460   HD11  LEU  55          1HD1      LEU  55  -1.592 -14.899  -3.255
  461   HD12  LEU  55          2HD1      LEU  55  -2.194 -13.278  -3.606
  462   HD13  LEU  55          3HD1      LEU  55  -3.310 -14.643  -3.567
  463   HD21  LEU  55          3HD2      LEU  55  -3.865 -12.742  -0.384
  464   HD22  LEU  55          1HD2      LEU  55  -4.707 -13.392  -1.791
  465   HD23  LEU  55          2HD2      LEU  55  -3.554 -12.072  -1.986
  466    H    GLU  56           H        GLU  56   0.602 -16.004  -1.452
  467    HA   GLU  56           HA       GLU  56   0.086 -17.824  -3.696
  468    HB2  GLU  56           2HB      GLU  56   0.310 -15.081  -3.989
  469    HB3  GLU  56           3HB      GLU  56   1.920 -15.666  -4.384
  470    HG2  GLU  56           2HG      GLU  56  -0.672 -16.476  -5.681
  471    HG3  GLU  56           3HG      GLU  56   0.626 -15.513  -6.390
  472    H    HIS  57           H        HIS  57   1.318 -19.504  -3.191
  473    HA   HIS  57           HA       HIS  57   4.134 -19.016  -2.463
  474    HB2  HIS  57           2HB      HIS  57   2.276 -21.301  -1.833
  475    HB3  HIS  57           3HB      HIS  57   4.021 -21.492  -1.736
  476    HD1  HIS  57           HD1      HIS  57   4.938 -21.089   0.526
  477    HD2  HIS  57           HD2      HIS  57   1.433 -18.942  -0.131
  478    HE1  HIS  57           HE1      HIS  57   4.463 -19.881   2.678
  479    HE2  HIS  57           HE2      HIS  57   2.247 -18.735   2.315
  480    H    HIS  58           H        HIS  58   3.062 -18.858  -5.086
  481    HA   HIS  58           HA       HIS  58   3.676 -19.330  -7.190
  482    HB2  HIS  58           2HB      HIS  58   5.967 -19.597  -6.318
  483    HB3  HIS  58           3HB      HIS  58   5.640 -21.298  -6.004
  484    HD1  HIS  58           HD1      HIS  58   5.458 -18.966  -9.019
  485    HD2  HIS  58           HD2      HIS  58   6.475 -22.878  -8.038
  486    HE1  HIS  58           HE1      HIS  58   6.282 -20.011 -11.155
  487    HE2  HIS  58           HE2      HIS  58   6.651 -22.435 -10.584
  488    H    HIS  59           H        HIS  59   4.000 -22.562  -5.663
  489    HA   HIS  59           HA       HIS  59   2.346 -23.616  -7.789
  490    HB2  HIS  59           2HB      HIS  59   2.853 -25.815  -6.974
  491    HB3  HIS  59           3HB      HIS  59   4.338 -24.878  -6.968
  492    HD1  HIS  59           HD1      HIS  59   2.858 -27.358  -5.077
  493    HD2  HIS  59           HD2      HIS  59   4.508 -23.677  -4.052
  494    HE1  HIS  59           HE1      HIS  59   3.438 -27.530  -2.636
  495    HE2  HIS  59           HE2      HIS  59   4.529 -25.331  -2.062
  496    H    HIS  60           H        HIS  60   0.392 -22.641  -7.459
  497    HA   HIS  60           HA       HIS  60  -0.965 -22.970  -4.919
  498    HB2  HIS  60           2HB      HIS  60  -2.867 -21.780  -6.253
  499    HB3  HIS  60           3HB      HIS  60  -1.452 -20.869  -5.749
  500    HD1  HIS  60           HD1      HIS  60  -0.133 -19.709  -7.537
  501    HD2  HIS  60           HD2      HIS  60  -2.866 -22.452  -9.074
  502    HE1  HIS  60           HE1      HIS  60  -0.119 -19.366 -10.030
  503    HE2  HIS  60           HE2      HIS  60  -1.880 -20.936 -10.925
  504    H    HIS  61           H        HIS  61  -0.627 -25.350  -5.418
  505    HA   HIS  61           HA       HIS  61  -3.137 -26.545  -5.583
  506    HB2  HIS  61           2HB      HIS  61  -3.135 -27.731  -7.652
  507    HB3  HIS  61           3HB      HIS  61  -2.791 -26.058  -8.067
  508    HD1  HIS  61           HD1      HIS  61  -1.704 -29.369  -8.799
  509    HD2  HIS  61           HD2      HIS  61   0.209 -25.700  -8.354
  510    HE1  HIS  61           HE1      HIS  61   0.518 -29.619  -9.939
  511    HE2  HIS  61           HE2      HIS  61   1.738 -27.473  -9.463
  512    H    HIS  62           H        HIS  62  -2.747 -29.098  -5.819
  513    HA   HIS  62           HA       HIS  62  -0.118 -29.668  -4.633
  514    HB2  HIS  62           2HB      HIS  62  -1.079 -31.328  -3.150
  515    HB3  HIS  62           3HB      HIS  62  -1.854 -29.776  -2.883
  516    HD1  HIS  62           HD1      HIS  62  -2.576 -33.258  -3.339
  517    HD2  HIS  62           HD2      HIS  62  -4.540 -29.692  -4.208
  518    HE1  HIS  62           HE1      HIS  62  -4.991 -33.876  -3.678
  519    HE2  HIS  62           HE2      HIS  62  -6.166 -31.716  -4.206
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1 -10.244   7.600  -7.232
    2    H2   MET   1           2H       MET   1 -11.701   8.012  -6.474
    3    H3   MET   1           3H       MET   1 -10.824   6.661  -5.948
    4    HA   MET   1           HA       MET   1  -9.887   9.463  -5.795
    5    HB2  MET   1           2HB      MET   1 -10.994   7.620  -3.671
    6    HB3  MET   1           3HB      MET   1 -10.109   9.092  -3.312
    7    HG2  MET   1           2HG      MET   1 -12.408   9.588  -3.107
    8    HG3  MET   1           3HG      MET   1 -11.847  10.347  -4.596
    9    HE1  MET   1           3HE      MET   1 -14.944   9.748  -3.740
   10    HE2  MET   1           1HE      MET   1 -15.579   9.313  -5.327
   11    HE3  MET   1           2HE      MET   1 -14.446  10.657  -5.167
   12    H    ASN   2           H        ASN   2  -8.038   9.645  -4.319
   13    HA   ASN   2           HA       ASN   2  -6.469   7.193  -3.987
   14    HB2  ASN   2           2HB      ASN   2  -4.445   8.214  -4.795
   15    HB3  ASN   2           3HB      ASN   2  -5.667   8.419  -6.046
   16   HD21  ASN   2          1HD2      ASN   2  -3.670   9.997  -3.697
   17   HD22  ASN   2          2HD2      ASN   2  -3.999  11.621  -4.209
   18    H    LEU   3           H        LEU   3  -4.808   7.441  -2.323
   19    HA   LEU   3           HA       LEU   3  -5.640   9.464  -0.356
   20    HB2  LEU   3           2HB      LEU   3  -4.210   6.833  -0.012
   21    HB3  LEU   3           3HB      LEU   3  -4.469   7.984   1.289
   22    HG   LEU   3           HG       LEU   3  -6.619   6.540  -0.267
   23   HD11  LEU   3          1HD1      LEU   3  -7.096   5.460   1.849
   24   HD12  LEU   3          2HD1      LEU   3  -5.784   6.349   2.622
   25   HD13  LEU   3          3HD1      LEU   3  -5.426   5.157   1.371
   26   HD21  LEU   3          3HD2      LEU   3  -6.828   8.559   1.964
   27   HD22  LEU   3          1HD2      LEU   3  -8.167   7.610   1.315
   28   HD23  LEU   3          2HD2      LEU   3  -7.342   8.787   0.291
   29    H    ARG   4           H        ARG   4  -3.675   9.880   1.249
   30    HA   ARG   4           HA       ARG   4  -1.628  11.081  -0.439
   31    HB2  ARG   4           2HB      ARG   4  -2.869  12.303   1.427
   32    HB3  ARG   4           3HB      ARG   4  -1.914  11.342   2.550
   33    HG2  ARG   4           2HG      ARG   4   0.126  12.297   1.711
   34    HG3  ARG   4           3HG      ARG   4  -0.760  13.172   0.456
   35    HD2  ARG   4           2HD      ARG   4  -2.045  14.287   2.323
   36    HD3  ARG   4           3HD      ARG   4  -0.871  13.585   3.435
   37    HE   ARG   4           HE       ARG   4   0.674  14.874   1.615
   38   HH11  ARG   4          1HH1      ARG   4  -2.035  15.832   3.605
   39   HH12  ARG   4          2HH1      ARG   4  -1.508  17.483   3.762
   40   HH21  ARG   4          1HH2      ARG   4   1.366  17.034   1.779
   41   HH22  ARG   4          2HH2      ARG   4   0.434  18.171   2.715
   42    H    TRP   5           H        TRP   5   0.125   9.986  -0.863
   43    HA   TRP   5           HA       TRP   5   0.903   7.762   0.862
   44    HB2  TRP   5           2HB      TRP   5   1.685   8.571  -1.942
   45    HB3  TRP   5           3HB      TRP   5   2.452   7.240  -1.083
   46    HD1  TRP   5           HD1      TRP   5  -1.178   8.250  -2.069
   47    HE1  TRP   5           HE1      TRP   5  -2.453   6.097  -2.699
   48    HE3  TRP   5           HE3      TRP   5   2.522   4.853  -1.156
   49    HZ2  TRP   5           HZ2      TRP   5  -1.927   3.324  -2.805
   50    HZ3  TRP   5           HZ3      TRP   5   2.060   2.472  -1.554
   51    HH2  TRP   5           HH2      TRP   5  -0.120   1.726  -2.359
   52    H    THR   6           H        THR   6   2.663   7.802   2.135
   53    HA   THR   6           HA       THR   6   4.226  10.212   2.316
   54    HB   THR   6           HB       THR   6   5.387   9.133   4.157
   55    HG1  THR   6           HG1      THR   6   5.266   7.013   4.558
   56   HG21  THR   6          3HG2      THR   6   3.201  10.077   4.657
   57   HG22  THR   6          1HG2      THR   6   3.488   8.640   5.637
   58   HG23  THR   6          2HG2      THR   6   2.424   8.550   4.233
   59    H    SER   7           H        SER   7   6.653  10.114   2.285
   60    HA   SER   7           HA       SER   7   7.556   9.230  -0.201
   61    HB2  SER   7           2HB      SER   7   9.864   9.649   0.796
   62    HB3  SER   7           3HB      SER   7   8.735  10.998   0.817
   63    HG   SER   7           HG       SER   7   8.461   9.529   3.077
   64    H    GLU   8           H        GLU   8   7.685   7.683   2.948
   65    HA   GLU   8           HA       GLU   8   9.330   5.501   2.191
   66    HB2  GLU   8           2HB      GLU   8   7.203   5.195   4.274
   67    HB3  GLU   8           3HB      GLU   8   8.837   4.562   4.260
   68    HG2  GLU   8           2HG      GLU   8   8.894   6.168   5.917
   69    HG3  GLU   8           3HG      GLU   8   9.563   7.012   4.520
   70    H    ALA   9           H        ALA   9   5.829   5.960   2.376
   71    HA   ALA   9           HA       ALA   9   5.076   3.347   1.685
   72    HB1  ALA   9           3HB      ALA   9   2.880   4.308   1.227
   73    HB2  ALA   9           1HB      ALA   9   3.580   5.928   1.245
   74    HB3  ALA   9           2HB      ALA   9   3.562   4.959   2.719
   75    H    LYS  10           H        LYS  10   5.586   6.234  -0.312
   76    HA   LYS  10           HA       LYS  10   4.801   5.092  -2.761
   77    HB2  LYS  10           2HB      LYS  10   6.806   7.311  -2.282
   78    HB3  LYS  10           3HB      LYS  10   6.001   6.960  -3.806
   79    HG2  LYS  10           2HG      LYS  10   3.850   7.490  -2.819
   80    HG3  LYS  10           3HG      LYS  10   4.621   7.792  -1.263
   81    HD2  LYS  10           2HD      LYS  10   4.229   9.905  -2.274
   82    HD3  LYS  10           3HD      LYS  10   5.962   9.591  -2.394
   83    HE2  LYS  10           2HE      LYS  10   5.736   8.945  -4.702
   84    HE3  LYS  10           3HE      LYS  10   3.979   9.049  -4.600
   85    HZ1  LYS  10           3HZ      LYS  10   5.017  10.991  -5.671
   86    HZ2  LYS  10           1HZ      LYS  10   5.821  11.349  -4.224
   87    HZ3  LYS  10           2HZ      LYS  10   4.130  11.408  -4.284
   88    H    THR  11           H        THR  11   7.900   5.181  -1.079
   89    HA   THR  11           HA       THR  11   9.385   3.953  -3.178
   90    HB   THR  11           HB       THR  11  10.033   4.029  -0.219
   91    HG1  THR  11           HG1      THR  11   9.911   6.137  -0.805
   92   HG21  THR  11          3HG2      THR  11  12.356   3.798  -0.960
   93   HG22  THR  11          1HG2      THR  11  11.816   3.703  -2.635
   94   HG23  THR  11          2HG2      THR  11  11.386   2.425  -1.499
   95    H    LYS  12           H        LYS  12   7.779   2.750  -0.249
   96    HA   LYS  12           HA       LYS  12   8.476   0.050  -0.433
   97    HB2  LYS  12           2HB      LYS  12   6.058   1.463   0.661
   98    HB3  LYS  12           3HB      LYS  12   6.168  -0.289   0.686
   99    HG2  LYS  12           2HG      LYS  12   8.266   1.479   1.906
  100    HG3  LYS  12           3HG      LYS  12   6.842   0.930   2.790
  101    HD2  LYS  12           2HD      LYS  12   7.514  -1.424   2.187
  102    HD3  LYS  12           3HD      LYS  12   9.037  -0.755   1.599
  103    HE2  LYS  12           2HE      LYS  12   9.556   0.105   3.791
  104    HE3  LYS  12           3HE      LYS  12   7.975  -0.384   4.397
  105    HZ1  LYS  12           3HZ      LYS  12   9.421  -2.032   5.122
  106    HZ2  LYS  12           1HZ      LYS  12  10.266  -2.105   3.649
  107    HZ3  LYS  12           2HZ      LYS  12   8.688  -2.726   3.761
  108    H    LEU  13           H        LEU  13   5.823   1.839  -1.932
  109    HA   LEU  13           HA       LEU  13   4.526  -0.354  -3.123
  110    HB2  LEU  13           2HB      LEU  13   3.493   1.857  -2.837
  111    HB3  LEU  13           3HB      LEU  13   4.605   2.531  -4.012
  112    HG   LEU  13           HG       LEU  13   3.614   1.074  -5.752
  113   HD11  LEU  13          1HD1      LEU  13   1.691   0.327  -3.554
  114   HD12  LEU  13          2HD1      LEU  13   2.826  -0.749  -4.375
  115   HD13  LEU  13          3HD1      LEU  13   1.474  -0.048  -5.265
  116   HD21  LEU  13          3HD2      LEU  13   2.826   3.368  -5.449
  117   HD22  LEU  13          1HD2      LEU  13   1.630   2.805  -4.277
  118   HD23  LEU  13          2HD2      LEU  13   1.517   2.304  -5.965
  119    H    LYS  14           H        LYS  14   7.088   1.787  -4.299
  120    HA   LYS  14           HA       LYS  14   7.180   0.725  -6.926
  121    HB2  LYS  14           2HB      LYS  14   9.278   2.194  -5.321
  122    HB3  LYS  14           3HB      LYS  14   9.412   1.835  -7.039
  123    HG2  LYS  14           2HG      LYS  14   7.529   3.219  -7.545
  124    HG3  LYS  14           3HG      LYS  14   7.178   3.452  -5.832
  125    HD2  LYS  14           2HD      LYS  14   9.379   4.572  -5.588
  126    HD3  LYS  14           3HD      LYS  14   9.602   4.432  -7.333
  127    HE2  LYS  14           2HE      LYS  14   7.654   5.802  -7.732
  128    HE3  LYS  14           3HE      LYS  14   7.298   5.848  -6.006
  129    HZ1  LYS  14           3HZ      LYS  14   8.365   7.878  -6.672
  130    HZ2  LYS  14           1HZ      LYS  14   9.670   7.033  -7.345
  131    HZ3  LYS  14           2HZ      LYS  14   9.417   7.010  -5.667
  132    H    ASN  15           H        ASN  15   8.191  -0.540  -3.948
  133    HA   ASN  15           HA       ASN  15  10.141  -2.345  -5.130
  134    HB2  ASN  15           2HB      ASN  15   9.185  -1.813  -2.344
  135    HB3  ASN  15           3HB      ASN  15   9.958  -3.354  -2.703
  136   HD21  ASN  15          1HD2      ASN  15  10.403   0.093  -2.450
  137   HD22  ASN  15          2HD2      ASN  15  12.139   0.061  -2.482
  138    H    ILE  16           H        ILE  16   6.840  -2.178  -4.968
  139    HA   ILE  16           HA       ILE  16   6.458  -5.081  -4.991
  140    HB   ILE  16           HB       ILE  16   4.439  -2.834  -5.241
  141   HG12  ILE  16          2HG1      ILE  16   5.175  -4.635  -2.929
  142   HG13  ILE  16          3HG1      ILE  16   5.418  -2.896  -3.024
  143   HG21  ILE  16          1HG2      ILE  16   3.988  -5.802  -4.938
  144   HG22  ILE  16          2HG2      ILE  16   3.654  -4.837  -6.377
  145   HG23  ILE  16          3HG2      ILE  16   2.734  -4.562  -4.898
  146   HD11  ILE  16          3HD1      ILE  16   3.544  -3.409  -1.599
  147   HD12  ILE  16          1HD1      ILE  16   2.779  -4.334  -2.891
  148   HD13  ILE  16          2HD1      ILE  16   2.977  -2.587  -3.055
  149    HA   PRO  17           HA       PRO  17   6.880  -5.407  -9.435
  150    HB2  PRO  17           2HB      PRO  17   4.609  -7.314  -9.102
  151    HB3  PRO  17           3HB      PRO  17   6.143  -7.532  -9.953
  152    HG2  PRO  17           2HG      PRO  17   5.747  -8.651  -7.576
  153    HG3  PRO  17           3HG      PRO  17   7.320  -7.951  -8.000
  154    HD2  PRO  17           2HD      PRO  17   5.193  -6.890  -6.205
  155    HD3  PRO  17           3HD      PRO  17   6.958  -6.741  -6.079
  156    H    PHE  18           H        PHE  18   5.989  -4.333 -11.095
  157    HA   PHE  18           HA       PHE  18   3.968  -2.466 -10.641
  158    HB2  PHE  18           2HB      PHE  18   5.666  -2.119 -12.332
  159    HB3  PHE  18           3HB      PHE  18   5.080  -3.499 -13.254
  160    HD1  PHE  18           HD2      PHE  18   4.187  -0.100 -12.093
  161    HD2  PHE  18           HD1      PHE  18   3.341  -3.260 -14.818
  162    HE1  PHE  18           HE2      PHE  18   2.665   1.380 -13.336
  163    HE2  PHE  18           HE1      PHE  18   1.819  -1.786 -16.061
  164    HZ   PHE  18           HZ       PHE  18   1.477   0.537 -15.320
  165    H    PHE  19           H        PHE  19   3.805  -5.636 -12.141
  166    HA   PHE  19           HA       PHE  19   1.254  -5.353 -13.298
  167    HB2  PHE  19           2HB      PHE  19   2.646  -7.882 -12.388
  168    HB3  PHE  19           3HB      PHE  19   1.279  -7.799 -13.495
  169    HD1  PHE  19           HD2      PHE  19   1.583  -6.624 -15.707
  170    HD2  PHE  19           HD1      PHE  19   4.840  -7.635 -13.161
  171    HE1  PHE  19           HE2      PHE  19   3.133  -6.390 -17.602
  172    HE2  PHE  19           HE1      PHE  19   6.397  -7.399 -15.051
  173    HZ   PHE  19           HZ       PHE  19   5.544  -6.778 -17.277
  174    H    ALA  20           H        ALA  20   2.200  -5.707 -10.055
  175    HA   ALA  20           HA       ALA  20  -0.564  -6.420  -9.302
  176    HB1  ALA  20           3HB      ALA  20   1.965  -6.917  -7.738
  177    HB2  ALA  20           1HB      ALA  20   1.066  -8.130  -8.650
  178    HB3  ALA  20           2HB      ALA  20   0.333  -7.355  -7.246
  179    H    ARG  21           H        ARG  21   1.447  -3.842  -9.562
  180    HA   ARG  21           HA       ARG  21   1.243  -2.685  -6.975
  181    HB2  ARG  21           2HB      ARG  21   2.037  -1.592  -9.650
  182    HB3  ARG  21           3HB      ARG  21   1.785  -0.502  -8.291
  183    HG2  ARG  21           2HG      ARG  21   3.375  -2.154  -7.050
  184    HG3  ARG  21           3HG      ARG  21   3.864  -2.595  -8.686
  185    HD2  ARG  21           2HD      ARG  21   3.822   0.244  -7.696
  186    HD3  ARG  21           3HD      ARG  21   5.226  -0.803  -7.527
  187    HE   ARG  21           HE       ARG  21   4.110   0.185 -10.060
  188   HH11  ARG  21          1HH1      ARG  21   6.634  -1.445  -8.288
  189   HH12  ARG  21          2HH1      ARG  21   7.851  -1.183  -9.505
  190   HH21  ARG  21          1HH2      ARG  21   5.709   0.537 -11.685
  191   HH22  ARG  21          2HH2      ARG  21   7.313  -0.077 -11.441
  192    H    SER  22           H        SER  22  -0.663  -2.298  -9.933
  193    HA   SER  22           HA       SER  22  -2.353  -0.266  -8.968
  194    HB2  SER  22           2HB      SER  22  -3.039  -2.453 -10.951
  195    HB3  SER  22           3HB      SER  22  -3.832  -0.885 -10.796
  196    HG   SER  22           HG       SER  22  -2.044  -1.250 -12.461
  197    H    GLN  23           H        GLN  23  -2.441  -3.751  -8.717
  198    HA   GLN  23           HA       GLN  23  -5.017  -3.913  -7.502
  199    HB2  GLN  23           2HB      GLN  23  -4.043  -5.757  -8.793
  200    HB3  GLN  23           3HB      GLN  23  -2.744  -5.906  -7.622
  201    HG2  GLN  23           2HG      GLN  23  -4.188  -6.738  -5.972
  202    HG3  GLN  23           3HG      GLN  23  -5.626  -6.257  -6.874
  203   HE21  GLN  23          1HE2      GLN  23  -4.473  -7.184  -9.412
  204   HE22  GLN  23          2HE2      GLN  23  -4.596  -8.910  -9.373
  205    H    ALA  24           H        ALA  24  -1.681  -4.010  -6.308
  206    HA   ALA  24           HA       ALA  24  -2.337  -4.395  -3.587
  207    HB1  ALA  24           3HB      ALA  24  -0.103  -4.838  -4.507
  208    HB2  ALA  24           1HB      ALA  24  -0.044  -3.750  -3.120
  209    HB3  ALA  24           2HB      ALA  24   0.130  -3.107  -4.755
  210    H    LYS  25           H        LYS  25  -1.705  -1.476  -5.519
  211    HA   LYS  25           HA       LYS  25  -1.786   0.416  -3.486
  212    HB2  LYS  25           2HB      LYS  25  -1.113   0.931  -5.786
  213    HB3  LYS  25           3HB      LYS  25  -2.763   0.681  -6.335
  214    HG2  LYS  25           2HG      LYS  25  -3.523   2.581  -5.068
  215    HG3  LYS  25           3HG      LYS  25  -1.916   2.798  -4.373
  216    HD2  LYS  25           2HD      LYS  25  -1.026   3.210  -6.638
  217    HD3  LYS  25           3HD      LYS  25  -2.659   3.059  -7.289
  218    HE2  LYS  25           2HE      LYS  25  -1.810   5.093  -5.229
  219    HE3  LYS  25           3HE      LYS  25  -1.922   5.409  -6.959
  220    HZ1  LYS  25           3HZ      LYS  25  -3.902   6.158  -5.847
  221    HZ2  LYS  25           1HZ      LYS  25  -4.171   4.627  -5.169
  222    HZ3  LYS  25           2HZ      LYS  25  -4.287   4.852  -6.848
  223    H    ALA  26           H        ALA  26  -4.437  -0.934  -5.416
  224    HA   ALA  26           HA       ALA  26  -6.535   0.531  -4.323
  225    HB1  ALA  26           3HB      ALA  26  -6.583  -2.336  -5.267
  226    HB2  ALA  26           1HB      ALA  26  -6.769  -0.912  -6.291
  227    HB3  ALA  26           2HB      ALA  26  -7.985  -1.282  -5.067
  228    H    ARG  27           H        ARG  27  -5.057  -2.505  -3.227
  229    HA   ARG  27           HA       ARG  27  -6.791  -2.895  -1.023
  230    HB2  ARG  27           2HB      ARG  27  -5.462  -4.711  -1.942
  231    HB3  ARG  27           3HB      ARG  27  -3.978  -3.891  -1.489
  232    HG2  ARG  27           2HG      ARG  27  -4.395  -4.221   0.822
  233    HG3  ARG  27           3HG      ARG  27  -6.049  -4.752   0.508
  234    HD2  ARG  27           2HD      ARG  27  -3.530  -6.183  -0.331
  235    HD3  ARG  27           3HD      ARG  27  -4.588  -6.645   1.003
  236    HE   ARG  27           HE       ARG  27  -5.345  -6.718  -1.855
  237   HH11  ARG  27          1HH1      ARG  27  -5.727  -7.825   1.458
  238   HH12  ARG  27          2HH1      ARG  27  -6.842  -9.093   1.044
  239   HH21  ARG  27          1HH2      ARG  27  -6.801  -8.387  -2.405
  240   HH22  ARG  27          2HH2      ARG  27  -7.424  -9.441  -1.171
  241    H    ILE  28           H        ILE  28  -3.576  -1.411  -1.290
  242    HA   ILE  28           HA       ILE  28  -3.099  -0.922   1.412
  243    HB   ILE  28           HB       ILE  28  -2.251   0.754  -0.959
  244   HG12  ILE  28          2HG1      ILE  28  -0.678  -1.343   0.535
  245   HG13  ILE  28          3HG1      ILE  28  -1.604  -1.698  -0.918
  246   HG21  ILE  28          1HG2      ILE  28  -0.440   1.558   0.498
  247   HG22  ILE  28          2HG2      ILE  28  -1.156   0.681   1.852
  248   HG23  ILE  28          3HG2      ILE  28  -2.031   2.018   1.107
  249   HD11  ILE  28          3HD1      ILE  28   0.687   0.240  -0.717
  250   HD12  ILE  28          1HD1      ILE  28  -0.233  -0.125  -2.175
  251   HD13  ILE  28          2HD1      ILE  28   0.748  -1.377  -1.413
  252    H    GLU  29           H        GLU  29  -4.657   1.185  -0.991
  253    HA   GLU  29           HA       GLU  29  -5.148   3.259   0.891
  254    HB2  GLU  29           2HB      GLU  29  -6.331   2.773  -1.849
  255    HB3  GLU  29           3HB      GLU  29  -6.516   4.259  -0.918
  256    HG2  GLU  29           2HG      GLU  29  -4.089   4.574  -0.938
  257    HG3  GLU  29           3HG      GLU  29  -3.907   3.096  -1.875
  258    H    GLN  30           H        GLN  30  -6.931   0.415  -0.093
  259    HA   GLN  30           HA       GLN  30  -9.374   1.140   1.190
  260    HB2  GLN  30           2HB      GLN  30  -8.199  -1.505   0.359
  261    HB3  GLN  30           3HB      GLN  30  -9.712  -1.414   1.249
  262    HG2  GLN  30           2HG      GLN  30 -10.691  -0.069  -0.523
  263    HG3  GLN  30           3HG      GLN  30  -9.168  -0.112  -1.409
  264   HE21  GLN  30          1HE2      GLN  30 -10.382  -2.860   0.354
  265   HE22  GLN  30          2HE2      GLN  30 -10.770  -3.826  -1.028
  266    H    LEU  31           H        LEU  31  -6.441  -0.522   2.226
  267    HA   LEU  31           HA       LEU  31  -7.292  -1.276   4.798
  268    HB2  LEU  31           2HB      LEU  31  -4.529  -0.538   3.809
  269    HB3  LEU  31           3HB      LEU  31  -4.861  -1.307   5.349
  270    HG   LEU  31           HG       LEU  31  -5.591  -2.555   2.703
  271   HD11  LEU  31          1HD1      LEU  31  -3.182  -2.238   2.776
  272   HD12  LEU  31          2HD1      LEU  31  -3.592  -3.942   2.972
  273   HD13  LEU  31          3HD1      LEU  31  -3.118  -2.979   4.375
  274   HD21  LEU  31          3HD2      LEU  31  -6.827  -3.372   4.645
  275   HD22  LEU  31          1HD2      LEU  31  -5.305  -3.694   5.482
  276   HD23  LEU  31          2HD2      LEU  31  -5.722  -4.600   4.025
  277    H    ALA  32           H        ALA  32  -5.755   1.672   3.599
  278    HA   ALA  32           HA       ALA  32  -5.587   2.968   6.106
  279    HB1  ALA  32           3HB      ALA  32  -5.718   4.191   3.357
  280    HB2  ALA  32           1HB      ALA  32  -4.256   3.636   4.171
  281    HB3  ALA  32           2HB      ALA  32  -5.173   4.991   4.832
  282    H    ARG  33           H        ARG  33  -8.034   3.098   3.518
  283    HA   ARG  33           HA       ARG  33  -9.723   4.913   4.860
  284    HB2  ARG  33           2HB      ARG  33 -10.111   2.984   2.609
  285    HB3  ARG  33           3HB      ARG  33 -11.489   3.833   3.294
  286    HG2  ARG  33           2HG      ARG  33  -9.025   5.189   2.233
  287    HG3  ARG  33           3HG      ARG  33 -10.509   4.946   1.315
  288    HD2  ARG  33           2HD      ARG  33 -11.754   6.249   2.961
  289    HD3  ARG  33           3HD      ARG  33 -10.294   6.447   3.926
  290    HE   ARG  33           HE       ARG  33 -10.102   7.441   1.219
  291   HH11  ARG  33          1HH1      ARG  33 -11.064   8.185   4.496
  292   HH12  ARG  33          2HH1      ARG  33 -10.763   9.891   4.343
  293   HH21  ARG  33          1HH2      ARG  33  -9.697   9.715   1.002
  294   HH22  ARG  33          2HH2      ARG  33  -9.935  10.746   2.381
  295    H    GLN  34           H        GLN  34  -9.201   1.520   5.267
  296    HA   GLN  34           HA       GLN  34 -11.566   0.953   6.734
  297    HB2  GLN  34           2HB      GLN  34  -9.951  -0.769   5.847
  298    HB3  GLN  34           3HB      GLN  34  -8.837  -0.294   7.121
  299    HG2  GLN  34           2HG      GLN  34 -10.577  -0.913   8.788
  300    HG3  GLN  34           3HG      GLN  34 -11.559  -1.533   7.463
  301   HE21  GLN  34          1HE2      GLN  34  -8.059  -1.795   7.674
  302   HE22  GLN  34          2HE2      GLN  34  -8.021  -3.512   7.861
  303    H    ALA  35           H        ALA  35  -8.361   2.133   7.590
  304    HA   ALA  35           HA       ALA  35  -8.999   2.567  10.362
  305    HB1  ALA  35           3HB      ALA  35  -6.836   3.702  10.456
  306    HB2  ALA  35           1HB      ALA  35  -6.725   3.661   8.695
  307    HB3  ALA  35           2HB      ALA  35  -6.692   2.157   9.618
  308    H    GLU  36           H        GLU  36  -9.817   4.075   7.514
  309    HA   GLU  36           HA       GLU  36 -10.787   6.012   6.911
  310    HB2  GLU  36           2HB      GLU  36 -11.257   6.158   9.882
  311    HB3  GLU  36           3HB      GLU  36 -11.831   7.406   8.783
  312    HG2  GLU  36           2HG      GLU  36 -13.083   5.687   7.534
  313    HG3  GLU  36           3HG      GLU  36 -12.571   4.489   8.719
  314    H    GLN  37           H        GLN  37  -7.994   5.885   7.248
  315    HA   GLN  37           HA       GLN  37  -7.323   8.645   8.007
  316    HB2  GLN  37           2HB      GLN  37  -4.981   7.866   7.984
  317    HB3  GLN  37           3HB      GLN  37  -5.972   6.924   9.092
  318    HG2  GLN  37           2HG      GLN  37  -6.216   5.238   7.223
  319    HG3  GLN  37           3HG      GLN  37  -4.947   6.129   6.385
  320   HE21  GLN  37          1HE2      GLN  37  -3.577   6.766   8.909
  321   HE22  GLN  37          2HE2      GLN  37  -2.787   5.301   9.377
  322    H    ASP  38           H        ASP  38  -6.258  10.003   6.523
  323    HA   ASP  38           HA       ASP  38  -6.853   9.324   3.743
  324    HB2  ASP  38           2HB      ASP  38  -5.907  11.928   4.963
  325    HB3  ASP  38           3HB      ASP  38  -6.350  11.701   3.278
  326    H    ILE  39           H        ILE  39  -4.309   9.001   5.794
  327    HA   ILE  39           HA       ILE  39  -2.310   9.345   3.655
  328    HB   ILE  39           HB       ILE  39  -1.853   9.560   6.640
  329   HG12  ILE  39          2HG1      ILE  39  -1.816  11.787   4.596
  330   HG13  ILE  39          3HG1      ILE  39  -3.198  11.437   5.627
  331   HG21  ILE  39          1HG2      ILE  39   0.360  10.416   5.994
  332   HG22  ILE  39          2HG2      ILE  39  -0.020  10.082   4.303
  333   HG23  ILE  39          3HG2      ILE  39   0.101   8.756   5.460
  334   HD11  ILE  39          3HD1      ILE  39  -1.878  13.269   6.506
  335   HD12  ILE  39          1HD1      ILE  39  -0.456  12.231   6.568
  336   HD13  ILE  39          2HD1      ILE  39  -1.847  11.885   7.597
  337    H    VAL  40           H        VAL  40  -1.207   7.544   3.094
  338    HA   VAL  40           HA       VAL  40  -1.654   5.144   4.714
  339    HB   VAL  40           HB       VAL  40  -0.857   3.839   2.828
  340   HG11  VAL  40          1HG1      VAL  40  -3.209   4.457   2.851
  341   HG12  VAL  40          2HG1      VAL  40  -2.604   4.356   1.197
  342   HG13  VAL  40          3HG1      VAL  40  -2.844   5.930   1.956
  343   HG21  VAL  40          3HG2      VAL  40  -0.264   4.881   0.689
  344   HG22  VAL  40          1HG2      VAL  40   0.854   5.336   1.976
  345   HG23  VAL  40          2HG2      VAL  40  -0.385   6.474   1.442
  346    H    THR  41           H        THR  41  -0.073   4.149   5.806
  347    HA   THR  41           HA       THR  41   2.573   5.373   5.771
  348    HB   THR  41           HB       THR  41   2.893   3.762   7.781
  349    HG1  THR  41           HG1      THR  41   0.230   3.885   8.367
  350   HG21  THR  41          3HG2      THR  41   2.673   6.204   7.965
  351   HG22  THR  41          1HG2      THR  41   1.863   5.376   9.295
  352   HG23  THR  41          2HG2      THR  41   0.918   6.041   7.965
  353    HA   PRO  42           HA       PRO  42   4.693   2.289   3.511
  354    HB2  PRO  42           2HB      PRO  42   6.761   1.615   5.240
  355    HB3  PRO  42           3HB      PRO  42   6.757   2.997   4.141
  356    HG2  PRO  42           2HG      PRO  42   6.100   2.894   7.058
  357    HG3  PRO  42           3HG      PRO  42   7.011   4.119   6.152
  358    HD2  PRO  42           2HD      PRO  42   4.482   4.562   6.869
  359    HD3  PRO  42           3HD      PRO  42   5.082   5.090   5.281
  360    H    GLU  43           H        GLU  43   3.964   1.471   6.855
  361    HA   GLU  43           HA       GLU  43   4.449  -1.314   6.593
  362    HB2  GLU  43           2HB      GLU  43   2.714   0.102   8.620
  363    HB3  GLU  43           3HB      GLU  43   3.376  -1.520   8.761
  364    HG2  GLU  43           2HG      GLU  43   4.944   1.047   8.690
  365    HG3  GLU  43           3HG      GLU  43   4.647   0.037  10.103
  366    H    LEU  44           H        LEU  44   1.650   0.736   6.052
  367    HA   LEU  44           HA       LEU  44  -0.229  -1.378   5.747
  368    HB2  LEU  44           2HB      LEU  44  -0.147   1.513   5.092
  369    HB3  LEU  44           3HB      LEU  44  -1.279   0.534   4.177
  370    HG   LEU  44           HG       LEU  44  -2.331  -0.198   6.282
  371   HD11  LEU  44          1HD1      LEU  44  -0.455  -0.033   7.795
  372   HD12  LEU  44          2HD1      LEU  44  -1.787   0.971   8.375
  373   HD13  LEU  44          3HD1      LEU  44  -0.401   1.718   7.577
  374   HD21  LEU  44          3HD2      LEU  44  -3.408   1.920   6.825
  375   HD22  LEU  44          1HD2      LEU  44  -3.210   1.729   5.083
  376   HD23  LEU  44          2HD2      LEU  44  -2.128   2.791   5.980
  377    H    VAL  45           H        VAL  45   1.897   0.376   3.549
  378    HA   VAL  45           HA       VAL  45   1.146  -0.929   1.163
  379    HB   VAL  45           HB       VAL  45   3.897   0.110   1.887
  380   HG11  VAL  45          1HG1      VAL  45   3.960  -1.299  -0.074
  381   HG12  VAL  45          2HG1      VAL  45   4.166   0.385  -0.552
  382   HG13  VAL  45          3HG1      VAL  45   2.614  -0.416  -0.791
  383   HG21  VAL  45          3HG2      VAL  45   2.265   1.857   2.207
  384   HG22  VAL  45          1HG2      VAL  45   1.553   1.529   0.627
  385   HG23  VAL  45          2HG2      VAL  45   3.188   2.182   0.739
  386    H    GLU  46           H        GLU  46   3.576  -1.672   3.606
  387    HA   GLU  46           HA       GLU  46   4.668  -3.959   2.419
  388    HB2  GLU  46           2HB      GLU  46   5.556  -2.681   4.409
  389    HB3  GLU  46           3HB      GLU  46   4.333  -3.480   5.383
  390    HG2  GLU  46           2HG      GLU  46   6.451  -4.601   5.623
  391    HG3  GLU  46           3HG      GLU  46   5.305  -5.655   4.796
  392    H    GLN  47           H        GLN  47   1.996  -3.597   4.745
  393    HA   GLN  47           HA       GLN  47   1.433  -6.296   5.115
  394    HB2  GLN  47           2HB      GLN  47   0.153  -3.783   5.714
  395    HB3  GLN  47           3HB      GLN  47  -1.039  -4.983   5.233
  396    HG2  GLN  47           2HG      GLN  47   1.056  -5.617   7.273
  397    HG3  GLN  47           3HG      GLN  47  -0.423  -4.772   7.717
  398   HE21  GLN  47          1HE2      GLN  47  -0.462  -7.162   5.180
  399   HE22  GLN  47          2HE2      GLN  47  -1.311  -8.380   6.063
  400    H    ALA  48           H        ALA  48   0.275  -4.098   2.583
  401    HA   ALA  48           HA       ALA  48  -1.558  -5.868   1.399
  402    HB1  ALA  48           3HB      ALA  48  -1.411  -3.490   0.818
  403    HB2  ALA  48           1HB      ALA  48  -1.337  -4.522  -0.609
  404    HB3  ALA  48           2HB      ALA  48   0.135  -3.787   0.025
  405    H    ARG  49           H        ARG  49   1.915  -5.439   0.937
  406    HA   ARG  49           HA       ARG  49   2.110  -7.402  -1.142
  407    HB2  ARG  49           2HB      ARG  49   3.740  -5.613  -1.022
  408    HB3  ARG  49           3HB      ARG  49   4.212  -6.104   0.599
  409    HG2  ARG  49           2HG      ARG  49   5.153  -8.153  -0.240
  410    HG3  ARG  49           3HG      ARG  49   4.547  -7.803  -1.860
  411    HD2  ARG  49           2HD      ARG  49   6.980  -7.320  -1.507
  412    HD3  ARG  49           3HD      ARG  49   6.024  -5.972  -2.113
  413    HE   ARG  49           HE       ARG  49   6.485  -6.117   0.774
  414   HH11  ARG  49          1HH1      ARG  49   7.269  -4.676  -2.318
  415   HH12  ARG  49          2HH1      ARG  49   8.012  -3.275  -1.621
  416   HH21  ARG  49          1HH2      ARG  49   7.515  -4.304   1.694
  417   HH22  ARG  49          2HH2      ARG  49   8.200  -3.086   0.655
  418    H    LEU  50           H        LEU  50   2.216  -7.396   2.312
  419    HA   LEU  50           HA       LEU  50   3.394  -9.926   2.730
  420    HB2  LEU  50           2HB      LEU  50   2.702  -7.933   4.355
  421    HB3  LEU  50           3HB      LEU  50   1.255  -8.898   4.545
  422    HG   LEU  50           HG       LEU  50   2.901  -9.293   6.328
  423   HD11  LEU  50          1HD1      LEU  50   2.917 -11.740   6.229
  424   HD12  LEU  50          2HD1      LEU  50   2.452 -11.670   4.528
  425   HD13  LEU  50          3HD1      LEU  50   1.350 -11.074   5.770
  426   HD21  LEU  50          3HD2      LEU  50   4.932  -8.890   5.064
  427   HD22  LEU  50          1HD2      LEU  50   4.638 -10.335   4.093
  428   HD23  LEU  50          2HD2      LEU  50   4.983 -10.484   5.817
  429    H    GLU  51           H        GLU  51   0.025  -8.865   2.403
  430    HA   GLU  51           HA       GLU  51  -1.273 -11.299   2.691
  431    HB2  GLU  51           2HB      GLU  51  -2.007  -9.060   0.791
  432    HB3  GLU  51           3HB      GLU  51  -3.088 -10.327   1.353
  433    HG2  GLU  51           2HG      GLU  51  -1.800  -8.213   3.065
  434    HG3  GLU  51           3HG      GLU  51  -3.477  -8.236   2.527
  435    H    PHE  52           H        PHE  52  -0.206  -9.776  -0.357
  436    HA   PHE  52           HA       PHE  52  -0.775 -12.044  -1.955
  437    HB2  PHE  52           2HB      PHE  52   1.072  -9.701  -2.435
  438    HB3  PHE  52           3HB      PHE  52   0.703 -10.924  -3.649
  439    HD1  PHE  52           HD1      PHE  52  -1.748 -11.243  -4.289
  440    HD2  PHE  52           HD2      PHE  52  -0.302  -7.848  -2.175
  441    HE1  PHE  52           HE1      PHE  52  -3.740  -9.975  -4.973
  442    HE2  PHE  52           HE2      PHE  52  -2.293  -6.572  -2.849
  443    HZ   PHE  52           HZ       PHE  52  -4.016  -7.635  -4.252
  444    H    GLY  53           H        GLY  53   1.987 -11.107  -0.054
  445    HA2  GLY  53           2HA      GLY  53   3.799 -13.012  -1.187
  446    HA3  GLY  53           3HA      GLY  53   4.034 -12.102   0.296
  447    H    GLN  54           H        GLN  54   1.167 -13.369   0.893
  448    HA   GLN  54           HA       GLN  54   2.223 -15.971   1.777
  449    HB2  GLN  54           2HB      GLN  54  -0.194 -14.444   2.764
  450    HB3  GLN  54           3HB      GLN  54   0.332 -16.012   3.363
  451    HG2  GLN  54           2HG      GLN  54   1.853 -13.423   3.569
  452    HG3  GLN  54           3HG      GLN  54   1.003 -14.247   4.874
  453   HE21  GLN  54          1HE2      GLN  54   3.810 -13.502   4.647
  454   HE22  GLN  54          2HE2      GLN  54   4.715 -14.963   4.825
  455    H    LEU  55           H        LEU  55  -0.528 -14.409   0.195
  456    HA   LEU  55           HA       LEU  55  -2.050 -16.745  -0.202
  457    HB2  LEU  55           2HB      LEU  55  -2.065 -14.136  -1.714
  458    HB3  LEU  55           3HB      LEU  55  -3.278 -15.392  -1.884
  459    HG   LEU  55           HG       LEU  55  -2.694 -13.871   0.658
  460   HD11  LEU  55          1HD1      LEU  55  -3.723 -12.460  -1.044
  461   HD12  LEU  55          2HD1      LEU  55  -4.851 -12.799   0.269
  462   HD13  LEU  55          3HD1      LEU  55  -5.004 -13.652  -1.268
  463   HD21  LEU  55          3HD2      LEU  55  -4.724 -14.939   1.501
  464   HD22  LEU  55          1HD2      LEU  55  -3.496 -16.137   1.081
  465   HD23  LEU  55          2HD2      LEU  55  -4.864 -15.862   0.002
  466    H    GLU  56           H        GLU  56   0.296 -15.105  -2.319
  467    HA   GLU  56           HA       GLU  56  -0.116 -17.018  -4.432
  468    HB2  GLU  56           2HB      GLU  56   0.558 -14.693  -4.929
  469    HB3  GLU  56           3HB      GLU  56   2.082 -14.965  -4.095
  470    HG2  GLU  56           2HG      GLU  56   2.660 -16.696  -5.732
  471    HG3  GLU  56           3HG      GLU  56   1.144 -16.390  -6.575
  472    H    HIS  57           H        HIS  57   2.915 -16.144  -2.800
  473    HA   HIS  57           HA       HIS  57   3.408 -18.966  -2.217
  474    HB2  HIS  57           2HB      HIS  57   5.245 -17.173  -3.805
  475    HB3  HIS  57           3HB      HIS  57   5.835 -18.589  -2.947
  476    HD1  HIS  57           HD1      HIS  57   4.731 -20.927  -3.738
  477    HD2  HIS  57           HD2      HIS  57   4.261 -17.680  -6.296
  478    HE1  HIS  57           HE1      HIS  57   4.157 -21.906  -5.985
  479    HE2  HIS  57           HE2      HIS  57   4.047 -19.932  -7.552
  480    H    HIS  58           H        HIS  58   3.598 -18.984  -0.103
  481    HA   HIS  58           HA       HIS  58   4.240 -17.013   1.672
  482    HB2  HIS  58           2HB      HIS  58   3.466 -19.148   2.448
  483    HB3  HIS  58           3HB      HIS  58   4.861 -19.972   1.769
  484    HD1  HIS  58           HD1      HIS  58   3.908 -17.663   4.604
  485    HD2  HIS  58           HD2      HIS  58   7.047 -20.136   3.446
  486    HE1  HIS  58           HE1      HIS  58   5.424 -17.819   6.604
  487    HE2  HIS  58           HE2      HIS  58   7.406 -19.162   5.816
  488    H    HIS  59           H        HIS  59   5.993 -15.873   2.186
  489    HA   HIS  59           HA       HIS  59   8.298 -15.828   0.654
  490    HB2  HIS  59           2HB      HIS  59   7.884 -14.888   3.497
  491    HB3  HIS  59           3HB      HIS  59   9.335 -14.554   2.564
  492    HD1  HIS  59           HD1      HIS  59   6.754 -12.709   3.670
  493    HD2  HIS  59           HD2      HIS  59   8.099 -13.454  -0.187
  494    HE1  HIS  59           HE1      HIS  59   5.892 -10.805   2.278
  495    HE2  HIS  59           HE2      HIS  59   6.991 -11.126   0.032
  496    H    HIS  60           H        HIS  60   9.626 -17.478   0.364
  497    HA   HIS  60           HA       HIS  60  10.440 -19.000   2.742
  498    HB2  HIS  60           2HB      HIS  60  11.027 -20.838   1.083
  499    HB3  HIS  60           3HB      HIS  60   9.322 -20.535   1.369
  500    HD1  HIS  60           HD1      HIS  60   8.020 -19.271  -0.575
  501    HD2  HIS  60           HD2      HIS  60  11.839 -20.608  -1.535
  502    HE1  HIS  60           HE1      HIS  60   8.123 -19.284  -3.089
  503    HE2  HIS  60           HE2      HIS  60  10.364 -20.296  -3.637
  504    H    HIS  61           H        HIS  61  11.973 -17.398   3.162
  505    HA   HIS  61           HA       HIS  61  14.312 -17.370   1.404
  506    HB2  HIS  61           2HB      HIS  61  13.446 -15.182   2.172
  507    HB3  HIS  61           3HB      HIS  61  13.679 -15.683   3.841
  508    HD1  HIS  61           HD1      HIS  61  15.549 -14.554   0.801
  509    HD2  HIS  61           HD2      HIS  61  16.323 -15.549   4.770
  510    HE1  HIS  61           HE1      HIS  61  17.915 -13.799   1.248
  511    HE2  HIS  61           HE2      HIS  61  18.367 -14.412   3.653
  512    H    HIS  62           H        HIS  62  16.022 -18.569   1.873
  513    HA   HIS  62           HA       HIS  62  16.098 -20.178   4.235
  514    HB2  HIS  62           2HB      HIS  62  18.147 -19.721   2.058
  515    HB3  HIS  62           3HB      HIS  62  18.353 -20.871   3.377
  516    HD1  HIS  62           HD1      HIS  62  17.344 -20.805  -0.007
  517    HD2  HIS  62           HD2      HIS  62  15.938 -22.725   3.397
  518    HE1  HIS  62           HE1      HIS  62  15.924 -22.699  -0.844
  519    HE2  HIS  62           HE2      HIS  62  14.913 -23.708   1.236
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1  -9.266   8.627  -8.344
    2    H2   MET   1           2H       MET   1 -10.932   8.680  -8.032
    3    H3   MET   1           3H       MET   1 -10.092   7.211  -7.909
    4    HA   MET   1           HA       MET   1  -9.823   9.586  -6.161
    5    HB2  MET   1           2HB      MET   1 -10.773   6.756  -5.668
    6    HB3  MET   1           3HB      MET   1 -10.464   7.927  -4.393
    7    HG2  MET   1           2HG      MET   1 -12.496   8.226  -6.593
    8    HG3  MET   1           3HG      MET   1 -12.841   7.739  -4.936
    9    HE1  MET   1           3HE      MET   1 -14.358  11.338  -5.095
   10    HE2  MET   1           1HE      MET   1 -14.657   9.643  -4.702
   11    HE3  MET   1           2HE      MET   1 -14.353  10.123  -6.373
   12    H    ASN   2           H        ASN   2  -8.115   9.660  -4.785
   13    HA   ASN   2           HA       ASN   2  -6.279   7.410  -4.623
   14    HB2  ASN   2           2HB      ASN   2  -4.326   8.629  -5.315
   15    HB3  ASN   2           3HB      ASN   2  -5.522   8.792  -6.594
   16   HD21  ASN   2          1HD2      ASN   2  -6.550  10.801  -6.889
   17   HD22  ASN   2          2HD2      ASN   2  -5.872  12.260  -6.261
   18    H    LEU   3           H        LEU   3  -5.004   7.464  -2.758
   19    HA   LEU   3           HA       LEU   3  -5.814   9.509  -0.819
   20    HB2  LEU   3           2HB      LEU   3  -4.504   6.819  -0.443
   21    HB3  LEU   3           3HB      LEU   3  -4.758   7.963   0.858
   22    HG   LEU   3           HG       LEU   3  -6.880   6.548  -0.749
   23   HD11  LEU   3          1HD1      LEU   3  -7.477   5.578   1.407
   24   HD12  LEU   3          2HD1      LEU   3  -6.150   6.452   2.172
   25   HD13  LEU   3          3HD1      LEU   3  -5.809   5.200   0.977
   26   HD21  LEU   3          3HD2      LEU   3  -7.588   8.834  -0.310
   27   HD22  LEU   3          1HD2      LEU   3  -7.190   8.643   1.397
   28   HD23  LEU   3          2HD2      LEU   3  -8.498   7.698   0.685
   29    H    ARG   4           H        ARG   4  -3.961   9.890   0.866
   30    HA   ARG   4           HA       ARG   4  -1.814  11.082  -0.678
   31    HB2  ARG   4           2HB      ARG   4  -2.590  11.301   2.235
   32    HB3  ARG   4           3HB      ARG   4  -1.197  12.116   1.534
   33    HG2  ARG   4           2HG      ARG   4  -2.666  13.304  -0.013
   34    HG3  ARG   4           3HG      ARG   4  -4.061  12.490   0.695
   35    HD2  ARG   4           2HD      ARG   4  -3.684  13.564   2.807
   36    HD3  ARG   4           3HD      ARG   4  -2.163  14.257   2.233
   37    HE   ARG   4           HE       ARG   4  -3.955  15.233   0.469
   38   HH11  ARG   4          1HH1      ARG   4  -4.017  15.125   3.974
   39   HH12  ARG   4          2HH1      ARG   4  -4.833  16.655   4.129
   40   HH21  ARG   4          1HH2      ARG   4  -5.055  17.207   0.663
   41   HH22  ARG   4          2HH2      ARG   4  -5.455  17.822   2.246
   42    H    TRP   5           H        TRP   5  -0.083   9.980  -1.104
   43    HA   TRP   5           HA       TRP   5   0.676   7.742   0.602
   44    HB2  TRP   5           2HB      TRP   5   1.496   8.576  -2.175
   45    HB3  TRP   5           3HB      TRP   5   2.315   7.290  -1.294
   46    HD1  TRP   5           HD1      TRP   5  -1.306   8.109  -2.471
   47    HE1  TRP   5           HE1      TRP   5  -2.470   5.878  -3.041
   48    HE3  TRP   5           HE3      TRP   5   2.445   4.896  -1.155
   49    HZ2  TRP   5           HZ2      TRP   5  -1.847   3.125  -2.962
   50    HZ3  TRP   5           HZ3      TRP   5   2.080   2.478  -1.428
   51    HH2  TRP   5           HH2      TRP   5  -0.027   1.615  -2.309
   52    H    THR   6           H        THR   6   2.214   7.915   2.057
   53    HA   THR   6           HA       THR   6   3.840  10.226   2.349
   54    HB   THR   6           HB       THR   6   5.041   8.857   4.082
   55    HG1  THR   6           HG1      THR   6   3.103   6.865   3.923
   56   HG21  THR   6          3HG2      THR   6   3.105   8.633   5.597
   57   HG22  THR   6          1HG2      THR   6   2.026   8.875   4.226
   58   HG23  THR   6          2HG2      THR   6   3.110  10.171   4.734
   59    H    SER   7           H        SER   7   6.221  10.232   2.290
   60    HA   SER   7           HA       SER   7   7.263   9.378  -0.149
   61    HB2  SER   7           2HB      SER   7   9.509   9.770   1.279
   62    HB3  SER   7           3HB      SER   7   8.506  11.101   0.695
   63    HG   SER   7           HG       SER   7   8.715  10.013   3.293
   64    H    GLU   8           H        GLU   8   7.327   7.870   3.015
   65    HA   GLU   8           HA       GLU   8   9.086   5.749   2.313
   66    HB2  GLU   8           2HB      GLU   8   7.034   5.901   4.531
   67    HB3  GLU   8           3HB      GLU   8   8.292   4.684   4.396
   68    HG2  GLU   8           2HG      GLU   8   9.032   6.248   5.997
   69    HG3  GLU   8           3HG      GLU   8   9.968   6.552   4.535
   70    H    ALA   9           H        ALA   9   5.569   6.113   2.433
   71    HA   ALA   9           HA       ALA   9   4.874   3.468   1.823
   72    HB1  ALA   9           3HB      ALA   9   2.702   4.327   1.217
   73    HB2  ALA   9           1HB      ALA   9   3.355   5.960   1.071
   74    HB3  ALA   9           2HB      ALA   9   3.295   5.172   2.647
   75    H    LYS  10           H        LYS  10   5.366   6.260  -0.324
   76    HA   LYS  10           HA       LYS  10   4.836   4.966  -2.746
   77    HB2  LYS  10           2HB      LYS  10   6.717   7.260  -2.161
   78    HB3  LYS  10           3HB      LYS  10   6.181   6.788  -3.769
   79    HG2  LYS  10           2HG      LYS  10   3.952   7.398  -3.320
   80    HG3  LYS  10           3HG      LYS  10   4.258   7.522  -1.588
   81    HD2  LYS  10           2HD      LYS  10   4.117   9.733  -2.462
   82    HD3  LYS  10           3HD      LYS  10   5.807   9.416  -2.075
   83    HE2  LYS  10           2HE      LYS  10   6.291   8.996  -4.410
   84    HE3  LYS  10           3HE      LYS  10   4.588   9.198  -4.824
   85    HZ1  LYS  10           3HZ      LYS  10   4.722  11.498  -4.071
   86    HZ2  LYS  10           1HZ      LYS  10   5.846  11.198  -5.307
   87    HZ3  LYS  10           2HZ      LYS  10   6.364  11.297  -3.698
   88    H    THR  11           H        THR  11   7.816   5.202  -0.872
   89    HA   THR  11           HA       THR  11   9.509   3.912  -2.723
   90    HB   THR  11           HB       THR  11   9.735   3.975   0.295
   91    HG1  THR  11           HG1      THR  11   9.769   6.078  -0.355
   92   HG21  THR  11          3HG2      THR  11  12.134   3.648  -0.102
   93   HG22  THR  11          1HG2      THR  11  11.832   3.513  -1.834
   94   HG23  THR  11          2HG2      THR  11  11.192   2.293  -0.731
   95    H    LYS  12           H        LYS  12   7.549   2.703  -0.034
   96    HA   LYS  12           HA       LYS  12   8.298  -0.014  -0.269
   97    HB2  LYS  12           2HB      LYS  12   5.833   1.305   0.877
   98    HB3  LYS  12           3HB      LYS  12   6.145  -0.419   0.991
   99    HG2  LYS  12           2HG      LYS  12   8.047   1.655   2.047
  100    HG3  LYS  12           3HG      LYS  12   6.739   0.960   3.009
  101    HD2  LYS  12           2HD      LYS  12   7.675  -1.290   2.582
  102    HD3  LYS  12           3HD      LYS  12   9.020  -0.540   1.722
  103    HE2  LYS  12           2HE      LYS  12   9.754   0.570   3.716
  104    HE3  LYS  12           3HE      LYS  12   8.315   0.049   4.592
  105    HZ1  LYS  12           3HZ      LYS  12  10.268  -1.301   5.126
  106    HZ2  LYS  12           1HZ      LYS  12  10.398  -1.768   3.501
  107    HZ3  LYS  12           2HZ      LYS  12   9.042  -2.228   4.411
  108    H    LEU  13           H        LEU  13   5.855   1.951  -1.839
  109    HA   LEU  13           HA       LEU  13   4.359  -0.123  -3.018
  110    HB2  LEU  13           2HB      LEU  13   3.653   2.269  -2.851
  111    HB3  LEU  13           3HB      LEU  13   4.819   2.664  -4.100
  112    HG   LEU  13           HG       LEU  13   3.593   1.236  -5.690
  113   HD11  LEU  13          1HD1      LEU  13   1.386   0.364  -5.105
  114   HD12  LEU  13          2HD1      LEU  13   1.611   0.905  -3.442
  115   HD13  LEU  13          3HD1      LEU  13   2.646  -0.359  -4.104
  116   HD21  LEU  13          3HD2      LEU  13   1.888   3.307  -4.305
  117   HD22  LEU  13          1HD2      LEU  13   1.621   2.676  -5.932
  118   HD23  LEU  13          2HD2      LEU  13   3.075   3.613  -5.577
  119    H    LYS  14           H        LYS  14   7.301   1.529  -3.975
  120    HA   LYS  14           HA       LYS  14   7.482   0.489  -6.601
  121    HB2  LYS  14           2HB      LYS  14   9.684   1.380  -4.731
  122    HB3  LYS  14           3HB      LYS  14   9.859   1.123  -6.461
  123    HG2  LYS  14           2HG      LYS  14   8.344   2.934  -6.932
  124    HG3  LYS  14           3HG      LYS  14   8.011   3.146  -5.212
  125    HD2  LYS  14           2HD      LYS  14  10.397   3.691  -4.860
  126    HD3  LYS  14           3HD      LYS  14  10.658   3.567  -6.599
  127    HE2  LYS  14           2HE      LYS  14   9.103   5.388  -6.988
  128    HE3  LYS  14           3HE      LYS  14   8.742   5.477  -5.264
  129    HZ1  LYS  14           3HZ      LYS  14  11.384   6.013  -6.524
  130    HZ2  LYS  14           1HZ      LYS  14  11.059   6.067  -4.858
  131    HZ3  LYS  14           2HZ      LYS  14  10.317   7.178  -5.904
  132    H    ASN  15           H        ASN  15   8.025  -0.917  -3.516
  133    HA   ASN  15           HA       ASN  15   9.857  -2.948  -4.408
  134    HB2  ASN  15           2HB      ASN  15   8.200  -2.838  -1.875
  135    HB3  ASN  15           3HB      ASN  15   9.533  -3.945  -2.189
  136   HD21  ASN  15          1HD2      ASN  15   9.239  -2.056  -0.047
  137   HD22  ASN  15          2HD2      ASN  15  10.586  -0.969  -0.156
  138    H    ILE  16           H        ILE  16   6.555  -2.440  -4.694
  139    HA   ILE  16           HA       ILE  16   5.832  -5.260  -4.745
  140    HB   ILE  16           HB       ILE  16   4.114  -2.862  -5.414
  141   HG12  ILE  16          2HG1      ILE  16   4.498  -4.312  -2.786
  142   HG13  ILE  16          3HG1      ILE  16   4.978  -2.657  -3.146
  143   HG21  ILE  16          1HG2      ILE  16   3.390  -5.698  -4.674
  144   HG22  ILE  16          2HG2      ILE  16   3.233  -4.966  -6.270
  145   HG23  ILE  16          3HG2      ILE  16   2.244  -4.383  -4.933
  146   HD11  ILE  16          3HD1      ILE  16   2.967  -2.692  -1.819
  147   HD12  ILE  16          1HD1      ILE  16   2.165  -3.709  -3.018
  148   HD13  ILE  16          2HD1      ILE  16   2.623  -2.054  -3.428
  149    HA   PRO  17           HA       PRO  17   6.774  -5.962  -9.054
  150    HB2  PRO  17           2HB      PRO  17   4.203  -7.482  -8.856
  151    HB3  PRO  17           3HB      PRO  17   5.749  -7.976  -9.559
  152    HG2  PRO  17           2HG      PRO  17   5.003  -8.857  -7.160
  153    HG3  PRO  17           3HG      PRO  17   6.694  -8.436  -7.495
  154    HD2  PRO  17           2HD      PRO  17   4.658  -6.976  -5.899
  155    HD3  PRO  17           3HD      PRO  17   6.421  -7.025  -5.714
  156    H    PHE  18           H        PHE  18   6.217  -4.990 -10.928
  157    HA   PHE  18           HA       PHE  18   4.672  -2.705 -10.847
  158    HB2  PHE  18           2HB      PHE  18   6.411  -2.994 -12.488
  159    HB3  PHE  18           3HB      PHE  18   5.544  -4.331 -13.238
  160    HD1  PHE  18           HD2      PHE  18   5.240  -0.702 -12.483
  161    HD2  PHE  18           HD1      PHE  18   4.121  -3.928 -15.023
  162    HE1  PHE  18           HE2      PHE  18   4.124   0.881 -13.999
  163    HE2  PHE  18           HE1      PHE  18   3.008  -2.349 -16.543
  164    HZ   PHE  18           HZ       PHE  18   3.008   0.059 -16.030
  165    H    PHE  19           H        PHE  19   3.736  -5.853 -12.222
  166    HA   PHE  19           HA       PHE  19   1.267  -4.894 -13.262
  167    HB2  PHE  19           2HB      PHE  19   2.159  -7.730 -12.723
  168    HB3  PHE  19           3HB      PHE  19   0.756  -7.268 -13.682
  169    HD1  PHE  19           HD1      PHE  19   1.284  -5.593 -15.648
  170    HD2  PHE  19           HD2      PHE  19   4.134  -8.157 -13.806
  171    HE1  PHE  19           HE1      PHE  19   2.701  -5.449 -17.655
  172    HE2  PHE  19           HE2      PHE  19   5.555  -8.019 -15.806
  173    HZ   PHE  19           HZ       PHE  19   4.841  -6.663 -17.735
  174    H    ALA  20           H        ALA  20   2.216  -6.203 -10.179
  175    HA   ALA  20           HA       ALA  20  -0.583  -6.538  -9.384
  176    HB1  ALA  20           3HB      ALA  20   1.945  -7.237  -7.893
  177    HB2  ALA  20           1HB      ALA  20   0.971  -8.353  -8.850
  178    HB3  ALA  20           2HB      ALA  20   0.300  -7.626  -7.391
  179    H    ARG  21           H        ARG  21   1.702  -4.154  -9.424
  180    HA   ARG  21           HA       ARG  21   1.586  -3.097  -6.817
  181    HB2  ARG  21           2HB      ARG  21   3.336  -2.578  -8.516
  182    HB3  ARG  21           3HB      ARG  21   2.155  -1.608  -9.385
  183    HG2  ARG  21           2HG      ARG  21   1.958  -0.100  -7.508
  184    HG3  ARG  21           3HG      ARG  21   3.052  -1.107  -6.557
  185    HD2  ARG  21           2HD      ARG  21   3.733   0.386  -9.086
  186    HD3  ARG  21           3HD      ARG  21   4.234   0.808  -7.448
  187    HE   ARG  21           HE       ARG  21   5.117  -1.765  -7.858
  188   HH11  ARG  21          1HH1      ARG  21   5.649   1.367  -9.342
  189   HH12  ARG  21          2HH1      ARG  21   7.259   0.972  -9.882
  190   HH21  ARG  21          1HH2      ARG  21   7.209  -2.278  -8.551
  191   HH22  ARG  21          2HH2      ARG  21   8.160  -1.095  -9.405
  192    H    SER  22           H        SER  22  -0.274  -2.376  -9.747
  193    HA   SER  22           HA       SER  22  -1.764  -0.241  -8.657
  194    HB2  SER  22           2HB      SER  22  -1.559  -0.762 -11.102
  195    HB3  SER  22           3HB      SER  22  -2.609  -2.154 -10.855
  196    HG   SER  22           HG       SER  22  -4.305  -0.880 -10.654
  197    H    GLN  23           H        GLN  23  -2.183  -3.712  -8.658
  198    HA   GLN  23           HA       GLN  23  -4.833  -3.724  -7.602
  199    HB2  GLN  23           2HB      GLN  23  -3.981  -5.580  -8.913
  200    HB3  GLN  23           3HB      GLN  23  -2.690  -5.849  -7.753
  201    HG2  GLN  23           2HG      GLN  23  -4.233  -6.608  -6.107
  202    HG3  GLN  23           3HG      GLN  23  -5.610  -6.141  -7.105
  203   HE21  GLN  23          1HE2      GLN  23  -2.991  -8.412  -6.724
  204   HE22  GLN  23          2HE2      GLN  23  -3.601  -9.609  -7.819
  205    H    ALA  24           H        ALA  24  -1.595  -4.182  -6.224
  206    HA   ALA  24           HA       ALA  24  -2.428  -4.548  -3.554
  207    HB1  ALA  24           3HB      ALA  24  -0.170  -5.096  -4.346
  208    HB2  ALA  24           1HB      ALA  24  -0.137  -4.026  -2.945
  209    HB3  ALA  24           2HB      ALA  24   0.163  -3.377  -4.556
  210    H    LYS  25           H        LYS  25  -1.557  -1.653  -5.401
  211    HA   LYS  25           HA       LYS  25  -1.678   0.269  -3.423
  212    HB2  LYS  25           2HB      LYS  25  -0.974   0.811  -5.678
  213    HB3  LYS  25           3HB      LYS  25  -2.577   0.446  -6.304
  214    HG2  LYS  25           2HG      LYS  25  -3.495   2.316  -5.023
  215    HG3  LYS  25           3HG      LYS  25  -1.881   2.690  -4.423
  216    HD2  LYS  25           2HD      LYS  25  -1.133   3.078  -6.732
  217    HD3  LYS  25           3HD      LYS  25  -2.767   2.738  -7.307
  218    HE2  LYS  25           2HE      LYS  25  -1.986   4.961  -5.426
  219    HE3  LYS  25           3HE      LYS  25  -2.323   5.144  -7.143
  220    HZ1  LYS  25           3HZ      LYS  25  -4.435   5.457  -6.579
  221    HZ2  LYS  25           1HZ      LYS  25  -4.133   5.052  -4.958
  222    HZ3  LYS  25           2HZ      LYS  25  -4.513   3.840  -6.080
  223    H    ALA  26           H        ALA  26  -4.331  -1.089  -5.341
  224    HA   ALA  26           HA       ALA  26  -6.425   0.438  -4.330
  225    HB1  ALA  26           3HB      ALA  26  -6.640  -1.095  -6.246
  226    HB2  ALA  26           1HB      ALA  26  -7.896  -1.362  -5.039
  227    HB3  ALA  26           2HB      ALA  26  -6.526  -2.466  -5.144
  228    H    ARG  27           H        ARG  27  -5.077  -2.635  -3.132
  229    HA   ARG  27           HA       ARG  27  -6.834  -2.811  -0.907
  230    HB2  ARG  27           2HB      ARG  27  -4.219  -4.127  -1.561
  231    HB3  ARG  27           3HB      ARG  27  -5.007  -4.389  -0.012
  232    HG2  ARG  27           2HG      ARG  27  -7.074  -5.002  -1.416
  233    HG3  ARG  27           3HG      ARG  27  -5.926  -5.156  -2.746
  234    HD2  ARG  27           2HD      ARG  27  -6.364  -7.299  -1.627
  235    HD3  ARG  27           3HD      ARG  27  -4.672  -6.816  -1.519
  236    HE   ARG  27           HE       ARG  27  -4.873  -6.723   0.757
  237   HH11  ARG  27          1HH1      ARG  27  -8.112  -6.644  -0.631
  238   HH12  ARG  27          2HH1      ARG  27  -8.898  -6.835   0.906
  239   HH21  ARG  27          1HH2      ARG  27  -5.898  -6.997   2.740
  240   HH22  ARG  27          2HH2      ARG  27  -7.642  -7.015   2.838
  241    H    ILE  28           H        ILE  28  -3.551  -1.503  -1.246
  242    HA   ILE  28           HA       ILE  28  -3.001  -0.999   1.439
  243    HB   ILE  28           HB       ILE  28  -2.148   0.640  -0.955
  244   HG12  ILE  28          2HG1      ILE  28  -0.595  -1.498   0.501
  245   HG13  ILE  28          3HG1      ILE  28  -1.585  -1.843  -0.913
  246   HG21  ILE  28          1HG2      ILE  28  -0.275   1.350   0.485
  247   HG22  ILE  28          2HG2      ILE  28  -1.028   0.516   1.848
  248   HG23  ILE  28          3HG2      ILE  28  -1.839   1.891   1.094
  249   HD11  ILE  28          3HD1      ILE  28   0.816  -1.541  -1.416
  250   HD12  ILE  28          1HD1      ILE  28   0.680   0.134  -0.876
  251   HD13  ILE  28          2HD1      ILE  28  -0.234  -0.419  -2.279
  252    H    GLU  29           H        GLU  29  -4.577   1.112  -0.959
  253    HA   GLU  29           HA       GLU  29  -4.968   3.246   0.851
  254    HB2  GLU  29           2HB      GLU  29  -6.362   2.565  -1.735
  255    HB3  GLU  29           3HB      GLU  29  -6.691   4.029  -0.816
  256    HG2  GLU  29           2HG      GLU  29  -4.237   4.555  -0.993
  257    HG3  GLU  29           3HG      GLU  29  -4.118   3.223  -2.141
  258    H    GLN  30           H        GLN  30  -6.953   0.462  -0.024
  259    HA   GLN  30           HA       GLN  30  -9.257   1.187   1.423
  260    HB2  GLN  30           2HB      GLN  30  -8.139  -1.540   0.753
  261    HB3  GLN  30           3HB      GLN  30  -9.717  -1.285   1.483
  262    HG2  GLN  30           2HG      GLN  30 -10.440  -0.030  -0.465
  263    HG3  GLN  30           3HG      GLN  30  -8.845  -0.213  -1.190
  264   HE21  GLN  30          1HE2      GLN  30  -9.622  -1.287  -2.983
  265   HE22  GLN  30          2HE2      GLN  30 -10.220  -2.907  -2.917
  266    H    LEU  31           H        LEU  31  -6.256  -0.375   2.392
  267    HA   LEU  31           HA       LEU  31  -7.028  -1.092   5.006
  268    HB2  LEU  31           2HB      LEU  31  -4.301  -0.372   3.928
  269    HB3  LEU  31           3HB      LEU  31  -4.595  -1.127   5.483
  270    HG   LEU  31           HG       LEU  31  -5.276  -2.364   2.810
  271   HD11  LEU  31          1HD1      LEU  31  -2.863  -2.188   3.127
  272   HD12  LEU  31          2HD1      LEU  31  -3.400  -3.862   3.236
  273   HD13  LEU  31          3HD1      LEU  31  -3.005  -2.969   4.702
  274   HD21  LEU  31          3HD2      LEU  31  -5.352  -3.494   5.608
  275   HD22  LEU  31          1HD2      LEU  31  -5.640  -4.403   4.124
  276   HD23  LEU  31          2HD2      LEU  31  -6.746  -3.115   4.596
  277    H    ALA  32           H        ALA  32  -5.664   1.886   3.671
  278    HA   ALA  32           HA       ALA  32  -5.410   3.204   6.187
  279    HB1  ALA  32           3HB      ALA  32  -4.124   3.865   4.198
  280    HB2  ALA  32           1HB      ALA  32  -5.014   5.216   4.901
  281    HB3  ALA  32           2HB      ALA  32  -5.614   4.429   3.440
  282    H    ARG  33           H        ARG  33  -7.874   3.154   3.656
  283    HA   ARG  33           HA       ARG  33  -9.639   5.019   4.821
  284    HB2  ARG  33           2HB      ARG  33 -10.303   2.644   3.066
  285    HB3  ARG  33           3HB      ARG  33 -11.356   4.018   3.381
  286    HG2  ARG  33           2HG      ARG  33  -9.876   5.500   2.225
  287    HG3  ARG  33           3HG      ARG  33  -8.660   4.233   2.064
  288    HD2  ARG  33           2HD      ARG  33 -10.440   2.938   0.768
  289    HD3  ARG  33           3HD      ARG  33 -11.321   4.465   0.697
  290    HE   ARG  33           HE       ARG  33  -8.614   4.721  -0.189
  291   HH11  ARG  33          1HH1      ARG  33 -11.857   3.831  -1.146
  292   HH12  ARG  33          2HH1      ARG  33 -11.543   4.011  -2.850
  293   HH21  ARG  33          1HH2      ARG  33  -8.197   5.014  -2.439
  294   HH22  ARG  33          2HH2      ARG  33  -9.481   4.724  -3.580
  295    H    GLN  34           H        GLN  34  -9.104   1.601   5.306
  296    HA   GLN  34           HA       GLN  34 -11.280   1.076   7.020
  297    HB2  GLN  34           2HB      GLN  34  -9.878  -0.670   5.962
  298    HB3  GLN  34           3HB      GLN  34  -8.537  -0.192   6.991
  299    HG2  GLN  34           2HG      GLN  34  -9.879  -0.806   8.967
  300    HG3  GLN  34           3HG      GLN  34 -11.153  -1.374   7.888
  301   HE21  GLN  34          1HE2      GLN  34  -9.142  -2.353   5.945
  302   HE22  GLN  34          2HE2      GLN  34  -8.551  -3.837   6.618
  303    H    ALA  35           H        ALA  35  -8.062   2.368   7.543
  304    HA   ALA  35           HA       ALA  35  -8.342   2.443  10.414
  305    HB1  ALA  35           3HB      ALA  35  -6.147   2.075   9.427
  306    HB2  ALA  35           1HB      ALA  35  -6.159   3.555  10.388
  307    HB3  ALA  35           2HB      ALA  35  -6.230   3.646   8.627
  308    H    GLU  36           H        GLU  36  -9.505   4.289   7.916
  309    HA   GLU  36           HA       GLU  36 -10.772   6.163   7.882
  310    HB2  GLU  36           2HB      GLU  36 -10.326   6.086  10.859
  311    HB3  GLU  36           3HB      GLU  36 -11.309   7.312  10.065
  312    HG2  GLU  36           2HG      GLU  36 -11.784   4.352   9.885
  313    HG3  GLU  36           3HG      GLU  36 -12.624   5.442  10.991
  314    H    GLN  37           H        GLN  37  -8.120   6.313   7.197
  315    HA   GLN  37           HA       GLN  37  -7.686   9.159   7.724
  316    HB2  GLN  37           2HB      GLN  37  -5.257   8.827   7.866
  317    HB3  GLN  37           3HB      GLN  37  -6.101   7.999   9.164
  318    HG2  GLN  37           2HG      GLN  37  -5.899   5.890   7.873
  319    HG3  GLN  37           3HG      GLN  37  -4.928   6.762   6.688
  320   HE21  GLN  37          1HE2      GLN  37  -4.200   4.507   8.377
  321   HE22  GLN  37          2HE2      GLN  37  -2.842   5.022   9.317
  322    H    ASP  38           H        ASP  38  -6.488  10.240   6.040
  323    HA   ASP  38           HA       ASP  38  -7.058   9.034   3.437
  324    HB2  ASP  38           2HB      ASP  38  -6.395  11.849   4.295
  325    HB3  ASP  38           3HB      ASP  38  -6.456  11.375   2.602
  326    H    ILE  39           H        ILE  39  -4.556   9.061   5.499
  327    HA   ILE  39           HA       ILE  39  -2.508   9.292   3.400
  328    HB   ILE  39           HB       ILE  39  -2.172   9.494   6.402
  329   HG12  ILE  39          2HG1      ILE  39  -2.017  11.662   4.301
  330   HG13  ILE  39          3HG1      ILE  39  -3.394  11.398   5.365
  331   HG21  ILE  39          1HG2      ILE  39  -0.189   8.603   5.310
  332   HG22  ILE  39          2HG2      ILE  39   0.102  10.244   5.881
  333   HG23  ILE  39          3HG2      ILE  39  -0.193   9.948   4.169
  334   HD11  ILE  39          3HD1      ILE  39  -0.609  12.145   6.222
  335   HD12  ILE  39          1HD1      ILE  39  -1.978  11.862   7.298
  336   HD13  ILE  39          2HD1      ILE  39  -2.013  13.213   6.164
  337    H    VAL  40           H        VAL  40  -1.374   7.501   2.863
  338    HA   VAL  40           HA       VAL  40  -1.814   5.084   4.467
  339    HB   VAL  40           HB       VAL  40  -0.927   3.800   2.619
  340   HG11  VAL  40          1HG1      VAL  40  -3.277   4.335   2.510
  341   HG12  VAL  40          2HG1      VAL  40  -2.591   4.327   0.884
  342   HG13  VAL  40          3HG1      VAL  40  -2.924   5.858   1.695
  343   HG21  VAL  40          3HG2      VAL  40   0.798   5.323   1.854
  344   HG22  VAL  40          1HG2      VAL  40  -0.429   6.440   1.255
  345   HG23  VAL  40          2HG2      VAL  40  -0.249   4.849   0.515
  346    H    THR  41           H        THR  41  -0.199   4.030   5.502
  347    HA   THR  41           HA       THR  41   2.353   5.449   5.657
  348    HB   THR  41           HB       THR  41   2.536   3.893   7.765
  349    HG1  THR  41           HG1      THR  41   0.792   2.669   7.790
  350   HG21  THR  41          3HG2      THR  41   1.421   5.618   9.111
  351   HG22  THR  41          1HG2      THR  41   0.659   6.260   7.656
  352   HG23  THR  41          2HG2      THR  41   2.412   6.335   7.840
  353    HA   PRO  42           HA       PRO  42   4.730   2.512   3.609
  354    HB2  PRO  42           2HB      PRO  42   6.756   1.913   5.400
  355    HB3  PRO  42           3HB      PRO  42   6.703   3.338   4.357
  356    HG2  PRO  42           2HG      PRO  42   5.918   3.065   7.232
  357    HG3  PRO  42           3HG      PRO  42   6.799   4.378   6.428
  358    HD2  PRO  42           2HD      PRO  42   4.215   4.638   7.029
  359    HD3  PRO  42           3HD      PRO  42   4.860   5.273   5.499
  360    H    GLU  43           H        GLU  43   4.011   1.444   6.937
  361    HA   GLU  43           HA       GLU  43   4.726  -1.268   6.299
  362    HB2  GLU  43           2HB      GLU  43   4.222  -1.844   8.536
  363    HB3  GLU  43           3HB      GLU  43   4.996  -0.270   8.587
  364    HG2  GLU  43           2HG      GLU  43   2.040  -0.754   8.781
  365    HG3  GLU  43           3HG      GLU  43   3.122  -0.462  10.141
  366    H    LEU  44           H        LEU  44   1.794   0.634   6.267
  367    HA   LEU  44           HA       LEU  44   0.014  -1.566   5.952
  368    HB2  LEU  44           2HB      LEU  44  -0.119   1.352   5.564
  369    HB3  LEU  44           3HB      LEU  44  -1.164   0.427   4.504
  370    HG   LEU  44           HG       LEU  44  -2.150  -0.665   6.512
  371   HD11  LEU  44          1HD1      LEU  44  -1.794   0.350   8.700
  372   HD12  LEU  44          2HD1      LEU  44  -0.557   1.402   8.012
  373   HD13  LEU  44          3HD1      LEU  44  -0.305  -0.344   8.060
  374   HD21  LEU  44          3HD2      LEU  44  -3.495   1.274   7.188
  375   HD22  LEU  44          1HD2      LEU  44  -3.282   1.186   5.440
  376   HD23  LEU  44          2HD2      LEU  44  -2.339   2.341   6.384
  377    H    VAL  45           H        VAL  45   1.988   0.328   3.780
  378    HA   VAL  45           HA       VAL  45   1.025  -0.642   1.336
  379    HB   VAL  45           HB       VAL  45   3.822   0.271   2.029
  380   HG11  VAL  45          1HG1      VAL  45   3.757  -1.032  -0.051
  381   HG12  VAL  45          2HG1      VAL  45   4.113   0.667  -0.353
  382   HG13  VAL  45          3HG1      VAL  45   2.500   0.033  -0.673
  383   HG21  VAL  45          3HG2      VAL  45   2.115   1.947   2.499
  384   HG22  VAL  45          1HG2      VAL  45   1.485   1.776   0.858
  385   HG23  VAL  45          2HG2      VAL  45   3.106   2.422   1.120
  386    H    GLU  46           H        GLU  46   3.774  -1.783   3.316
  387    HA   GLU  46           HA       GLU  46   4.257  -3.965   1.532
  388    HB2  GLU  46           2HB      GLU  46   6.008  -4.620   2.945
  389    HB3  GLU  46           3HB      GLU  46   5.992  -2.866   3.037
  390    HG2  GLU  46           2HG      GLU  46   4.888  -2.952   5.179
  391    HG3  GLU  46           3HG      GLU  46   4.756  -4.712   5.069
  392    H    GLN  47           H        GLN  47   2.199  -3.459   4.274
  393    HA   GLN  47           HA       GLN  47   1.854  -6.144   5.053
  394    HB2  GLN  47           2HB      GLN  47   0.826  -3.715   5.869
  395    HB3  GLN  47           3HB      GLN  47  -0.580  -4.527   5.192
  396    HG2  GLN  47           2HG      GLN  47   1.175  -5.442   7.450
  397    HG3  GLN  47           3HG      GLN  47  -0.539  -5.027   7.499
  398   HE21  GLN  47          1HE2      GLN  47  -2.035  -6.467   6.615
  399   HE22  GLN  47          2HE2      GLN  47  -1.663  -8.136   6.381
  400    H    ALA  48           H        ALA  48   0.192  -4.145   2.643
  401    HA   ALA  48           HA       ALA  48  -1.546  -6.163   1.702
  402    HB1  ALA  48           3HB      ALA  48  -1.870  -3.786   1.191
  403    HB2  ALA  48           1HB      ALA  48  -1.819  -4.768  -0.275
  404    HB3  ALA  48           2HB      ALA  48  -0.415  -3.808   0.194
  405    H    ARG  49           H        ARG  49   1.800  -5.372   1.066
  406    HA   ARG  49           HA       ARG  49   2.103  -7.051  -1.234
  407    HB2  ARG  49           2HB      ARG  49   3.643  -5.177  -0.735
  408    HB3  ARG  49           3HB      ARG  49   4.194  -6.031   0.700
  409    HG2  ARG  49           2HG      ARG  49   4.843  -7.917  -0.909
  410    HG3  ARG  49           3HG      ARG  49   4.657  -6.702  -2.179
  411    HD2  ARG  49           2HD      ARG  49   6.336  -5.325  -1.223
  412    HD3  ARG  49           3HD      ARG  49   6.374  -6.292   0.251
  413    HE   ARG  49           HE       ARG  49   7.637  -6.912  -2.292
  414   HH11  ARG  49          1HH1      ARG  49   6.712  -8.033   0.898
  415   HH12  ARG  49          2HH1      ARG  49   7.863  -9.337   0.916
  416   HH21  ARG  49          1HH2      ARG  49   9.168  -8.631  -2.257
  417   HH22  ARG  49          2HH2      ARG  49   9.275  -9.656  -0.861
  418    H    LEU  50           H        LEU  50   2.247  -7.422   2.198
  419    HA   LEU  50           HA       LEU  50   3.470  -9.979   2.296
  420    HB2  LEU  50           2HB      LEU  50   2.711  -8.075   4.140
  421    HB3  LEU  50           3HB      LEU  50   1.523  -9.330   4.400
  422    HG   LEU  50           HG       LEU  50   3.374  -9.595   5.937
  423   HD11  LEU  50          1HD1      LEU  50   3.978 -11.917   5.432
  424   HD12  LEU  50          2HD1      LEU  50   3.352 -11.717   3.795
  425   HD13  LEU  50          3HD1      LEU  50   2.260 -11.610   5.175
  426   HD21  LEU  50          3HD2      LEU  50   5.100  -8.499   4.625
  427   HD22  LEU  50          1HD2      LEU  50   5.084  -9.830   3.464
  428   HD23  LEU  50          2HD2      LEU  50   5.624 -10.112   5.121
  429    H    GLU  51           H        GLU  51   0.131  -8.819   2.208
  430    HA   GLU  51           HA       GLU  51  -1.181 -11.268   2.465
  431    HB2  GLU  51           2HB      GLU  51  -2.063  -8.904   0.799
  432    HB3  GLU  51           3HB      GLU  51  -3.099 -10.182   1.418
  433    HG2  GLU  51           2HG      GLU  51  -2.474  -9.458   3.725
  434    HG3  GLU  51           3HG      GLU  51  -1.637  -8.085   3.001
  435    H    PHE  52           H        PHE  52  -0.177  -9.528  -0.469
  436    HA   PHE  52           HA       PHE  52  -0.942 -11.650  -2.217
  437    HB2  PHE  52           2HB      PHE  52   0.794  -9.217  -2.658
  438    HB3  PHE  52           3HB      PHE  52   0.396 -10.367  -3.931
  439    HD1  PHE  52           HD1      PHE  52  -2.169 -10.846  -4.224
  440    HD2  PHE  52           HD2      PHE  52  -0.551  -7.371  -2.378
  441    HE1  PHE  52           HE1      PHE  52  -4.265  -9.637  -4.669
  442    HE2  PHE  52           HE2      PHE  52  -2.645  -6.158  -2.819
  443    HZ   PHE  52           HZ       PHE  52  -4.504  -7.290  -3.965
  444    H    GLY  53           H        GLY  53   1.896 -10.891  -0.394
  445    HA2  GLY  53           2HA      GLY  53   3.744 -12.554  -1.732
  446    HA3  GLY  53           3HA      GLY  53   3.838 -12.061  -0.045
  447    H    GLN  54           H        GLN  54   1.217 -13.197   0.585
  448    HA   GLN  54           HA       GLN  54   2.032 -15.971   0.890
  449    HB2  GLN  54           2HB      GLN  54  -0.417 -14.550   1.960
  450    HB3  GLN  54           3HB      GLN  54   0.122 -16.162   2.406
  451    HG2  GLN  54           2HG      GLN  54   1.766 -13.690   2.860
  452    HG3  GLN  54           3HG      GLN  54   0.635 -14.333   4.044
  453   HE21  GLN  54          1HE2      GLN  54   2.593 -16.392   1.975
  454   HE22  GLN  54          2HE2      GLN  54   3.618 -16.985   3.235
  455    H    LEU  55           H        LEU  55  -0.309 -14.053  -0.855
  456    HA   LEU  55           HA       LEU  55  -1.874 -16.278  -1.744
  457    HB2  LEU  55           2HB      LEU  55  -1.638 -13.508  -2.918
  458    HB3  LEU  55           3HB      LEU  55  -2.865 -14.690  -3.330
  459    HG   LEU  55           HG       LEU  55  -2.517 -13.327  -0.658
  460   HD11  LEU  55          1HD1      LEU  55  -3.478 -11.877  -2.351
  461   HD12  LEU  55          2HD1      LEU  55  -4.698 -12.336  -1.162
  462   HD13  LEU  55          3HD1      LEU  55  -4.678 -13.109  -2.748
  463   HD21  LEU  55          3HD2      LEU  55  -3.258 -15.609  -0.322
  464   HD22  LEU  55          1HD2      LEU  55  -4.524 -15.399  -1.531
  465   HD23  LEU  55          2HD2      LEU  55  -4.588 -14.490  -0.023
  466    H    GLU  56           H        GLU  56   1.026 -14.724  -2.768
  467    HA   GLU  56           HA       GLU  56   2.660 -15.354  -4.186
  468    HB2  GLU  56           2HB      GLU  56   1.036 -17.892  -4.416
  469    HB3  GLU  56           3HB      GLU  56   2.665 -17.682  -5.048
  470    HG2  GLU  56           2HG      GLU  56   1.967 -17.317  -2.147
  471    HG3  GLU  56           3HG      GLU  56   2.471 -18.860  -2.833
  472    H    HIS  57           H        HIS  57   1.343 -13.558  -5.344
  473    HA   HIS  57           HA       HIS  57   0.941 -12.596  -7.362
  474    HB2  HIS  57           2HB      HIS  57   1.670 -15.328  -8.430
  475    HB3  HIS  57           3HB      HIS  57   1.250 -13.970  -9.466
  476    HD1  HIS  57           HD1      HIS  57   3.558 -13.912 -10.550
  477    HD2  HIS  57           HD2      HIS  57   3.644 -13.391  -6.421
  478    HE1  HIS  57           HE1      HIS  57   5.892 -13.137 -10.009
  479    HE2  HIS  57           HE2      HIS  57   5.970 -12.987  -7.494
  480    H    HIS  58           H        HIS  58  -0.382 -15.872  -7.366
  481    HA   HIS  58           HA       HIS  58  -3.078 -14.839  -7.758
  482    HB2  HIS  58           2HB      HIS  58  -2.308 -15.179 -10.050
  483    HB3  HIS  58           3HB      HIS  58  -1.699 -16.776  -9.646
  484    HD1  HIS  58           HD1      HIS  58  -4.835 -14.930 -10.498
  485    HD2  HIS  58           HD2      HIS  58  -3.641 -18.804  -9.553
  486    HE1  HIS  58           HE1      HIS  58  -6.778 -16.411 -11.103
  487    HE2  HIS  58           HE2      HIS  58  -5.918 -18.757 -10.777
  488    H    HIS  59           H        HIS  59  -4.573 -16.137  -6.758
  489    HA   HIS  59           HA       HIS  59  -3.901 -17.683  -4.625
  490    HB2  HIS  59           2HB      HIS  59  -6.357 -17.820  -6.368
  491    HB3  HIS  59           3HB      HIS  59  -6.196 -18.789  -4.909
  492    HD1  HIS  59           HD1      HIS  59  -8.164 -16.219  -5.624
  493    HD2  HIS  59           HD2      HIS  59  -4.994 -16.450  -2.939
  494    HE1  HIS  59           HE1      HIS  59  -8.567 -14.401  -3.937
  495    HE2  HIS  59           HE2      HIS  59  -6.752 -14.693  -2.218
  496    H    HIS  60           H        HIS  60  -2.478 -19.272  -4.661
  497    HA   HIS  60           HA       HIS  60  -2.280 -21.107  -6.856
  498    HB2  HIS  60           2HB      HIS  60  -0.338 -20.210  -5.475
  499    HB3  HIS  60           3HB      HIS  60  -0.859 -21.301  -4.200
  500    HD1  HIS  60           HD1      HIS  60   1.134 -21.136  -7.246
  501    HD2  HIS  60           HD2      HIS  60  -0.638 -24.113  -4.942
  502    HE1  HIS  60           HE1      HIS  60   2.220 -23.290  -7.962
  503    HE2  HIS  60           HE2      HIS  60   1.147 -25.078  -6.553
  504    H    HIS  61           H        HIS  61  -2.363 -21.933  -3.394
  505    HA   HIS  61           HA       HIS  61  -4.374 -23.985  -4.066
  506    HB2  HIS  61           2HB      HIS  61  -2.045 -24.674  -3.183
  507    HB3  HIS  61           3HB      HIS  61  -2.605 -24.061  -1.632
  508    HD1  HIS  61           HD1      HIS  61  -4.125 -25.564  -0.266
  509    HD2  HIS  61           HD2      HIS  61  -3.487 -26.957  -4.134
  510    HE1  HIS  61           HE1      HIS  61  -5.097 -27.885  -0.327
  511    HE2  HIS  61           HE2      HIS  61  -4.537 -28.768  -2.617
  512    H    HIS  62           H        HIS  62  -3.883 -21.070  -2.569
  513    HA   HIS  62           HA       HIS  62  -6.461 -21.247  -1.242
  514    HB2  HIS  62           2HB      HIS  62  -5.706 -20.214   0.819
  515    HB3  HIS  62           3HB      HIS  62  -4.798 -21.693   0.556
  516    HD1  HIS  62           HD1      HIS  62  -4.405 -18.067   1.059
  517    HD2  HIS  62           HD2      HIS  62  -2.053 -21.258  -0.207
  518    HE1  HIS  62           HE1      HIS  62  -2.029 -17.267   1.226
  519    HE2  HIS  62           HE2      HIS  62  -0.625 -19.173   0.366
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1 -10.247   8.806  -3.645
    2    H2   MET   1           2H       MET   1 -11.494   8.443  -4.732
    3    H3   MET   1           3H       MET   1  -9.996   8.990  -5.312
    4    HA   MET   1           HA       MET   1 -10.516   6.436  -3.907
    5    HB2  MET   1           2HB      MET   1 -10.012   5.358  -6.024
    6    HB3  MET   1           3HB      MET   1 -11.339   6.490  -6.234
    7    HG2  MET   1           2HG      MET   1  -9.777   8.122  -7.195
    8    HG3  MET   1           3HG      MET   1  -8.469   6.954  -7.014
    9    HE1  MET   1           3HE      MET   1 -12.211   6.308  -8.084
   10    HE2  MET   1           1HE      MET   1 -12.073   6.378  -9.842
   11    HE3  MET   1           2HE      MET   1 -11.809   7.829  -8.876
   12    H    ASN   2           H        ASN   2  -8.215   8.803  -5.003
   13    HA   ASN   2           HA       ASN   2  -5.988   7.072  -4.182
   14    HB2  ASN   2           2HB      ASN   2  -5.719   8.108  -6.374
   15    HB3  ASN   2           3HB      ASN   2  -6.013   9.701  -5.689
   16   HD21  ASN   2          1HD2      ASN   2  -4.389  10.753  -4.615
   17   HD22  ASN   2          2HD2      ASN   2  -2.752  10.182  -4.585
   18    H    LEU   3           H        LEU   3  -4.785   7.513  -2.415
   19    HA   LEU   3           HA       LEU   3  -5.721   9.754  -0.737
   20    HB2  LEU   3           2HB      LEU   3  -4.488   7.116   0.056
   21    HB3  LEU   3           3HB      LEU   3  -4.895   8.405   1.172
   22    HG   LEU   3           HG       LEU   3  -6.857   6.874  -0.535
   23   HD11  LEU   3          1HD1      LEU   3  -7.642   5.985   1.609
   24   HD12  LEU   3          2HD1      LEU   3  -6.326   6.827   2.429
   25   HD13  LEU   3          3HD1      LEU   3  -5.969   5.538   1.281
   26   HD21  LEU   3          3HD2      LEU   3  -7.302   9.041   1.517
   27   HD22  LEU   3          1HD2      LEU   3  -8.568   8.084   0.751
   28   HD23  LEU   3          2HD2      LEU   3  -7.578   9.171  -0.218
   29    H    ARG   4           H        ARG   4  -3.907  10.191   1.053
   30    HA   ARG   4           HA       ARG   4  -1.669  11.250  -0.412
   31    HB2  ARG   4           2HB      ARG   4  -2.541  12.605   1.366
   32    HB3  ARG   4           3HB      ARG   4  -2.386  11.287   2.522
   33    HG2  ARG   4           2HG      ARG   4   0.030  11.401   2.371
   34    HG3  ARG   4           3HG      ARG   4  -0.085  12.662   1.145
   35    HD2  ARG   4           2HD      ARG   4  -1.107  14.168   2.748
   36    HD3  ARG   4           3HD      ARG   4  -1.112  12.897   3.973
   37    HE   ARG   4           HE       ARG   4   1.283  13.029   4.052
   38   HH11  ARG   4          1HH1      ARG   4  -0.281  15.581   2.239
   39   HH12  ARG   4          2HH1      ARG   4   1.092  16.641   2.290
   40   HH21  ARG   4          1HH2      ARG   4   3.091  14.396   4.112
   41   HH22  ARG   4          2HH2      ARG   4   3.035  15.948   3.328
   42    H    TRP   5           H        TRP   5   0.032  10.080  -0.935
   43    HA   TRP   5           HA       TRP   5   0.756   7.782   0.715
   44    HB2  TRP   5           2HB      TRP   5   1.631   8.660  -2.042
   45    HB3  TRP   5           3HB      TRP   5   2.374   7.318  -1.180
   46    HD1  TRP   5           HD1      TRP   5  -1.228   8.312  -2.282
   47    HE1  TRP   5           HE1      TRP   5  -2.460   6.155  -2.965
   48    HE3  TRP   5           HE3      TRP   5   2.471   4.941  -1.277
   49    HZ2  TRP   5           HZ2      TRP   5  -1.905   3.385  -3.077
   50    HZ3  TRP   5           HZ3      TRP   5   2.044   2.555  -1.702
   51    HH2  TRP   5           HH2      TRP   5  -0.101   1.796  -2.581
   52    H    THR   6           H        THR   6   2.407   7.805   2.057
   53    HA   THR   6           HA       THR   6   4.055  10.115   2.379
   54    HB   THR   6           HB       THR   6   5.276   8.689   4.048
   55    HG1  THR   6           HG1      THR   6   3.305   6.730   3.903
   56   HG21  THR   6          3HG2      THR   6   2.265   8.722   4.287
   57   HG22  THR   6          1HG2      THR   6   3.363  10.021   4.755
   58   HG23  THR   6          2HG2      THR   6   3.395   8.484   5.620
   59    H    SER   7           H        SER   7   6.423  10.111   2.146
   60    HA   SER   7           HA       SER   7   7.268   9.163  -0.354
   61    HB2  SER   7           2HB      SER   7   8.957  10.020   2.008
   62    HB3  SER   7           3HB      SER   7   9.516   9.886   0.341
   63    HG   SER   7           HG       SER   7   8.538  12.005   1.408
   64    H    GLU   8           H        GLU   8   7.504   7.786   2.853
   65    HA   GLU   8           HA       GLU   8   9.220   5.630   2.192
   66    HB2  GLU   8           2HB      GLU   8   7.155   5.956   4.370
   67    HB3  GLU   8           3HB      GLU   8   8.222   4.566   4.249
   68    HG2  GLU   8           2HG      GLU   8   9.096   6.078   5.877
   69    HG3  GLU   8           3HG      GLU   8  10.158   6.087   4.474
   70    H    ALA   9           H        ALA   9   5.701   6.004   2.297
   71    HA   ALA   9           HA       ALA   9   5.020   3.371   1.585
   72    HB1  ALA   9           3HB      ALA   9   2.836   4.285   0.969
   73    HB2  ALA   9           1HB      ALA   9   3.495   5.917   1.052
   74    HB3  ALA   9           2HB      ALA   9   3.395   4.931   2.511
   75    H    LYS  10           H        LYS  10   5.560   6.260  -0.412
   76    HA   LYS  10           HA       LYS  10   5.031   5.194  -2.921
   77    HB2  LYS  10           2HB      LYS  10   7.207   7.158  -2.173
   78    HB3  LYS  10           3HB      LYS  10   6.622   6.865  -3.804
   79    HG2  LYS  10           2HG      LYS  10   4.438   7.715  -3.203
   80    HG3  LYS  10           3HG      LYS  10   4.968   7.945  -1.533
   81    HD2  LYS  10           2HD      LYS  10   6.678   9.527  -2.311
   82    HD3  LYS  10           3HD      LYS  10   6.107   9.317  -3.966
   83    HE2  LYS  10           2HE      LYS  10   3.913  10.186  -3.313
   84    HE3  LYS  10           3HE      LYS  10   4.492  10.399  -1.661
   85    HZ1  LYS  10           3HZ      LYS  10   4.584  12.474  -2.848
   86    HZ2  LYS  10           1HZ      LYS  10   5.527  11.783  -4.076
   87    HZ3  LYS  10           2HZ      LYS  10   6.168  11.953  -2.518
   88    H    THR  11           H        THR  11   8.071   5.149  -1.089
   89    HA   THR  11           HA       THR  11   9.600   3.756  -2.994
   90    HB   THR  11           HB       THR  11   9.939   3.743   0.012
   91    HG1  THR  11           HG1      THR  11  10.013   5.867  -0.568
   92   HG21  THR  11          3HG2      THR  11  11.305   2.058  -1.133
   93   HG22  THR  11          1HG2      THR  11  12.311   3.362  -0.496
   94   HG23  THR  11          2HG2      THR  11  11.931   3.300  -2.218
   95    H    LYS  12           H        LYS  12   7.560   2.656  -0.331
   96    HA   LYS  12           HA       LYS  12   8.141  -0.102  -0.538
   97    HB2  LYS  12           2HB      LYS  12   5.821   1.446   0.585
   98    HB3  LYS  12           3HB      LYS  12   5.841  -0.311   0.590
   99    HG2  LYS  12           2HG      LYS  12   7.983   1.386   1.848
  100    HG3  LYS  12           3HG      LYS  12   6.574   0.769   2.714
  101    HD2  LYS  12           2HD      LYS  12   7.289  -1.542   1.910
  102    HD3  LYS  12           3HD      LYS  12   8.819  -0.787   1.450
  103    HE2  LYS  12           2HE      LYS  12   9.187  -0.071   3.730
  104    HE3  LYS  12           3HE      LYS  12   7.616  -0.702   4.215
  105    HZ1  LYS  12           3HZ      LYS  12   9.256  -2.261   4.853
  106    HZ2  LYS  12           1HZ      LYS  12   9.979  -2.250   3.317
  107    HZ3  LYS  12           2HZ      LYS  12   8.436  -2.932   3.527
  108    H    LEU  13           H        LEU  13   5.715   1.966  -2.076
  109    HA   LEU  13           HA       LEU  13   4.295  -0.101  -3.379
  110    HB2  LEU  13           2HB      LEU  13   3.434   2.204  -3.096
  111    HB3  LEU  13           3HB      LEU  13   4.639   2.780  -4.232
  112    HG   LEU  13           HG       LEU  13   3.588   1.429  -6.014
  113   HD11  LEU  13          1HD1      LEU  13   1.499   0.822  -3.926
  114   HD12  LEU  13          2HD1      LEU  13   2.643  -0.332  -4.607
  115   HD13  LEU  13          3HD1      LEU  13   1.413   0.400  -5.635
  116   HD21  LEU  13          3HD2      LEU  13   2.954   3.762  -5.712
  117   HD22  LEU  13          1HD2      LEU  13   1.705   3.287  -4.559
  118   HD23  LEU  13          2HD2      LEU  13   1.575   2.802  -6.252
  119    H    LYS  14           H        LYS  14   7.089   1.833  -4.273
  120    HA   LYS  14           HA       LYS  14   7.421   0.747  -6.881
  121    HB2  LYS  14           2HB      LYS  14   9.416   2.042  -5.013
  122    HB3  LYS  14           3HB      LYS  14   9.723   1.676  -6.704
  123    HG2  LYS  14           2HG      LYS  14   8.060   3.248  -7.410
  124    HG3  LYS  14           3HG      LYS  14   7.537   3.506  -5.744
  125    HD2  LYS  14           2HD      LYS  14   9.739   4.434  -5.202
  126    HD3  LYS  14           3HD      LYS  14  10.254   4.181  -6.870
  127    HE2  LYS  14           2HE      LYS  14   8.575   5.737  -7.660
  128    HE3  LYS  14           3HE      LYS  14   7.948   5.930  -6.022
  129    HZ1  LYS  14           3HZ      LYS  14   9.418   7.758  -6.696
  130    HZ2  LYS  14           1HZ      LYS  14  10.698   6.660  -6.887
  131    HZ3  LYS  14           2HZ      LYS  14  10.026   6.919  -5.352
  132    H    ASN  15           H        ASN  15   8.050  -0.406  -3.731
  133    HA   ASN  15           HA       ASN  15  10.135  -2.269  -4.410
  134    HB2  ASN  15           2HB      ASN  15   9.566  -1.207  -2.097
  135    HB3  ASN  15           3HB      ASN  15   8.353  -2.478  -1.995
  136   HD21  ASN  15          1HD2      ASN  15  11.675  -1.689  -1.839
  137   HD22  ASN  15          2HD2      ASN  15  12.262  -3.254  -1.379
  138    H    ILE  16           H        ILE  16   6.751  -2.146  -4.644
  139    HA   ILE  16           HA       ILE  16   6.346  -5.018  -4.747
  140    HB   ILE  16           HB       ILE  16   4.405  -2.794  -5.437
  141   HG12  ILE  16          2HG1      ILE  16   4.780  -4.258  -2.817
  142   HG13  ILE  16          3HG1      ILE  16   5.216  -2.580  -3.127
  143   HG21  ILE  16          1HG2      ILE  16   3.919  -5.688  -4.731
  144   HG22  ILE  16          2HG2      ILE  16   3.772  -4.973  -6.337
  145   HG23  ILE  16          3HG2      ILE  16   2.676  -4.479  -5.047
  146   HD11  ILE  16          3HD1      ILE  16   2.878  -2.025  -3.484
  147   HD12  ILE  16          1HD1      ILE  16   3.122  -2.762  -1.900
  148   HD13  ILE  16          2HD1      ILE  16   2.428  -3.708  -3.217
  149    HA   PRO  17           HA       PRO  17   7.222  -5.394  -9.136
  150    HB2  PRO  17           2HB      PRO  17   5.051  -7.429  -8.957
  151    HB3  PRO  17           3HB      PRO  17   6.676  -7.572  -9.639
  152    HG2  PRO  17           2HG      PRO  17   6.089  -8.667  -7.280
  153    HG3  PRO  17           3HG      PRO  17   7.662  -7.898  -7.567
  154    HD2  PRO  17           2HD      PRO  17   5.307  -6.886  -6.037
  155    HD3  PRO  17           3HD      PRO  17   7.040  -6.673  -5.714
  156    H    PHE  18           H        PHE  18   6.375  -4.389 -10.866
  157    HA   PHE  18           HA       PHE  18   4.213  -2.684 -10.727
  158    HB2  PHE  18           2HB      PHE  18   5.844  -2.332 -12.407
  159    HB3  PHE  18           3HB      PHE  18   5.605  -3.936 -13.086
  160    HD1  PHE  18           HD2      PHE  18   4.022  -0.618 -12.661
  161    HD2  PHE  18           HD1      PHE  18   4.038  -4.297 -14.796
  162    HE1  PHE  18           HE2      PHE  18   2.433   0.322 -14.287
  163    HE2  PHE  18           HE1      PHE  18   2.453  -3.363 -16.424
  164    HZ   PHE  18           HZ       PHE  18   1.647  -1.052 -16.170
  165    H    PHE  19           H        PHE  19   4.282  -6.034 -11.748
  166    HA   PHE  19           HA       PHE  19   1.787  -6.231 -12.960
  167    HB2  PHE  19           2HB      PHE  19   3.345  -8.036 -13.124
  168    HB3  PHE  19           3HB      PHE  19   3.396  -8.238 -11.378
  169    HD1  PHE  19           HD1      PHE  19   1.091  -8.474 -14.286
  170    HD2  PHE  19           HD2      PHE  19   2.018  -9.777 -10.343
  171    HE1  PHE  19           HE1      PHE  19  -0.700 -10.154 -14.423
  172    HE2  PHE  19           HE2      PHE  19   0.227 -11.457 -10.471
  173    HZ   PHE  19           HZ       PHE  19  -1.134 -11.646 -12.513
  174    H    ALA  20           H        ALA  20   2.607  -6.037  -9.563
  175    HA   ALA  20           HA       ALA  20  -0.221  -6.552  -8.912
  176    HB1  ALA  20           3HB      ALA  20   2.157  -7.038  -7.127
  177    HB2  ALA  20           1HB      ALA  20   1.315  -8.278  -8.057
  178    HB3  ALA  20           2HB      ALA  20   0.471  -7.417  -6.769
  179    H    ARG  21           H        ARG  21   1.748  -4.039  -9.323
  180    HA   ARG  21           HA       ARG  21   1.653  -2.649  -6.867
  181    HB2  ARG  21           2HB      ARG  21   1.960  -1.693  -9.700
  182    HB3  ARG  21           3HB      ARG  21   1.954  -0.586  -8.341
  183    HG2  ARG  21           2HG      ARG  21   3.872  -1.911  -7.401
  184    HG3  ARG  21           3HG      ARG  21   3.950  -2.734  -8.963
  185    HD2  ARG  21           2HD      ARG  21   4.761  -0.011  -8.213
  186    HD3  ARG  21           3HD      ARG  21   5.358  -1.058  -9.502
  187    HE   ARG  21           HE       ARG  21   2.718   0.067  -9.932
  188   HH11  ARG  21          1HH1      ARG  21   6.161   0.371 -10.555
  189   HH12  ARG  21          2HH1      ARG  21   5.936   1.488 -11.875
  190   HH21  ARG  21          1HH2      ARG  21   2.436   1.502 -11.639
  191   HH22  ARG  21          2HH2      ARG  21   3.811   2.151 -12.475
  192    H    SER  22           H        SER  22  -0.445  -2.454  -9.737
  193    HA   SER  22           HA       SER  22  -2.165  -0.470  -8.745
  194    HB2  SER  22           2HB      SER  22  -2.777  -2.683 -10.719
  195    HB3  SER  22           3HB      SER  22  -3.701  -1.194 -10.512
  196    HG   SER  22           HG       SER  22  -2.389  -0.633 -12.099
  197    H    GLN  23           H        GLN  23  -2.346  -3.999  -8.641
  198    HA   GLN  23           HA       GLN  23  -4.809  -4.235  -7.324
  199    HB2  GLN  23           2HB      GLN  23  -3.600  -6.096  -8.427
  200    HB3  GLN  23           3HB      GLN  23  -2.400  -6.055  -7.144
  201    HG2  GLN  23           2HG      GLN  23  -3.920  -7.848  -6.728
  202    HG3  GLN  23           3HG      GLN  23  -4.180  -6.589  -5.518
  203   HE21  GLN  23          1HE2      GLN  23  -5.464  -8.224  -8.286
  204   HE22  GLN  23          2HE2      GLN  23  -7.086  -7.626  -8.139
  205    H    ALA  24           H        ALA  24  -1.494  -4.157  -6.036
  206    HA   ALA  24           HA       ALA  24  -2.192  -4.363  -3.325
  207    HB1  ALA  24           3HB      ALA  24   0.084  -4.735  -4.186
  208    HB2  ALA  24           1HB      ALA  24   0.049  -3.588  -2.845
  209    HB3  ALA  24           2HB      ALA  24   0.228  -3.006  -4.501
  210    H    LYS  25           H        LYS  25  -1.566  -1.515  -5.356
  211    HA   LYS  25           HA       LYS  25  -1.774   0.479  -3.464
  212    HB2  LYS  25           2HB      LYS  25  -1.123   0.821  -5.828
  213    HB3  LYS  25           3HB      LYS  25  -2.796   0.575  -6.308
  214    HG2  LYS  25           2HG      LYS  25  -3.470   2.550  -5.087
  215    HG3  LYS  25           3HG      LYS  25  -1.819   2.783  -4.514
  216    HD2  LYS  25           2HD      LYS  25  -1.122   2.954  -6.922
  217    HD3  LYS  25           3HD      LYS  25  -2.834   2.977  -7.342
  218    HE2  LYS  25           2HE      LYS  25  -1.483   4.949  -5.499
  219    HE3  LYS  25           3HE      LYS  25  -1.821   5.238  -7.203
  220    HZ1  LYS  25           3HZ      LYS  25  -4.166   5.069  -6.764
  221    HZ2  LYS  25           1HZ      LYS  25  -3.488   6.212  -5.716
  222    HZ3  LYS  25           2HZ      LYS  25  -3.889   4.667  -5.140
  223    H    ALA  26           H        ALA  26  -4.365  -1.078  -5.297
  224    HA   ALA  26           HA       ALA  26  -6.506   0.458  -4.360
  225    HB1  ALA  26           3HB      ALA  26  -7.923  -1.386  -5.088
  226    HB2  ALA  26           1HB      ALA  26  -6.513  -2.442  -5.187
  227    HB3  ALA  26           2HB      ALA  26  -6.658  -1.059  -6.273
  228    H    ARG  27           H        ARG  27  -5.022  -2.493  -3.046
  229    HA   ARG  27           HA       ARG  27  -6.905  -2.650  -0.885
  230    HB2  ARG  27           2HB      ARG  27  -5.741  -4.654  -1.749
  231    HB3  ARG  27           3HB      ARG  27  -4.223  -4.019  -1.133
  232    HG2  ARG  27           2HG      ARG  27  -4.988  -4.187   1.123
  233    HG3  ARG  27           3HG      ARG  27  -6.620  -4.594   0.592
  234    HD2  ARG  27           2HD      ARG  27  -5.779  -6.672  -0.385
  235    HD3  ARG  27           3HD      ARG  27  -4.149  -6.262   0.147
  236    HE   ARG  27           HE       ARG  27  -5.349  -6.230   2.471
  237   HH11  ARG  27          1HH1      ARG  27  -5.892  -8.492  -0.147
  238   HH12  ARG  27          2HH1      ARG  27  -6.283  -9.816   0.910
  239   HH21  ARG  27          1HH2      ARG  27  -5.898  -7.972   3.862
  240   HH22  ARG  27          2HH2      ARG  27  -6.300  -9.512   3.169
  241    H    ILE  28           H        ILE  28  -3.684  -1.286  -1.302
  242    HA   ILE  28           HA       ILE  28  -3.059  -0.786   1.384
  243    HB   ILE  28           HB       ILE  28  -2.319   0.817  -1.069
  244   HG12  ILE  28          2HG1      ILE  28  -0.667  -1.201   0.456
  245   HG13  ILE  28          3HG1      ILE  28  -1.630  -1.622  -0.956
  246   HG21  ILE  28          1HG2      ILE  28  -1.115   0.874   1.698
  247   HG22  ILE  28          2HG2      ILE  28  -2.059   2.160   0.949
  248   HG23  ILE  28          3HG2      ILE  28  -0.484   1.721   0.287
  249   HD11  ILE  28          3HD1      ILE  28   0.623   0.368  -0.898
  250   HD12  ILE  28          1HD1      ILE  28  -0.325  -0.087  -2.314
  251   HD13  ILE  28          2HD1      ILE  28   0.706  -1.280  -1.523
  252    H    GLU  29           H        GLU  29  -4.582   1.362  -1.011
  253    HA   GLU  29           HA       GLU  29  -5.107   3.416   0.879
  254    HB2  GLU  29           2HB      GLU  29  -6.300   2.923  -1.858
  255    HB3  GLU  29           3HB      GLU  29  -6.452   4.417  -0.936
  256    HG2  GLU  29           2HG      GLU  29  -4.062   4.753  -1.012
  257    HG3  GLU  29           3HG      GLU  29  -3.842   3.213  -1.834
  258    H    GLN  30           H        GLN  30  -6.797   0.548  -0.106
  259    HA   GLN  30           HA       GLN  30  -9.305   1.164   1.087
  260    HB2  GLN  30           2HB      GLN  30  -8.899  -0.694  -0.538
  261    HB3  GLN  30           3HB      GLN  30  -8.025  -1.553   0.723
  262    HG2  GLN  30           2HG      GLN  30 -10.087  -1.564   2.086
  263    HG3  GLN  30           3HG      GLN  30 -10.942  -0.807   0.742
  264   HE21  GLN  30          1HE2      GLN  30  -9.505  -3.711   1.953
  265   HE22  GLN  30          2HE2      GLN  30 -10.093  -4.770   0.711
  266    H    LEU  31           H        LEU  31  -6.343  -0.382   2.247
  267    HA   LEU  31           HA       LEU  31  -7.261  -1.043   4.835
  268    HB2  LEU  31           2HB      LEU  31  -4.467  -0.476   3.825
  269    HB3  LEU  31           3HB      LEU  31  -4.830  -1.135   5.409
  270    HG   LEU  31           HG       LEU  31  -5.615  -2.494   2.836
  271   HD11  LEU  31          1HD1      LEU  31  -3.714  -3.947   3.131
  272   HD12  LEU  31          2HD1      LEU  31  -3.232  -3.072   4.587
  273   HD13  LEU  31          3HD1      LEU  31  -3.165  -2.273   3.015
  274   HD21  LEU  31          3HD2      LEU  31  -6.940  -3.133   4.767
  275   HD22  LEU  31          1HD2      LEU  31  -5.472  -3.449   5.693
  276   HD23  LEU  31          2HD2      LEU  31  -5.867  -4.451   4.295
  277    H    ALA  32           H        ALA  32  -5.871   1.873   3.467
  278    HA   ALA  32           HA       ALA  32  -5.593   3.306   5.890
  279    HB1  ALA  32           3HB      ALA  32  -4.519   3.994   3.794
  280    HB2  ALA  32           1HB      ALA  32  -5.481   5.295   4.497
  281    HB3  ALA  32           2HB      ALA  32  -6.101   4.385   3.119
  282    H    ARG  33           H        ARG  33  -8.268   2.871   3.626
  283    HA   ARG  33           HA       ARG  33 -10.096   4.625   4.893
  284    HB2  ARG  33           2HB      ARG  33 -10.633   2.121   3.283
  285    HB3  ARG  33           3HB      ARG  33 -11.842   3.311   3.730
  286    HG2  ARG  33           2HG      ARG  33  -9.454   3.830   1.973
  287    HG3  ARG  33           3HG      ARG  33 -11.104   3.554   1.414
  288    HD2  ARG  33           2HD      ARG  33 -11.795   5.538   2.782
  289    HD3  ARG  33           3HD      ARG  33 -10.084   5.854   3.068
  290    HE   ARG  33           HE       ARG  33 -10.431   5.611   0.318
  291   HH11  ARG  33          1HH1      ARG  33 -11.388   7.795   2.890
  292   HH12  ARG  33          2HH1      ARG  33 -11.602   9.147   1.823
  293   HH21  ARG  33          1HH2      ARG  33 -10.727   7.366  -1.063
  294   HH22  ARG  33          2HH2      ARG  33 -11.258   8.895  -0.433
  295    H    GLN  34           H        GLN  34  -9.263   1.248   5.351
  296    HA   GLN  34           HA       GLN  34 -11.193   0.538   7.253
  297    HB2  GLN  34           2HB      GLN  34  -9.785  -1.101   6.139
  298    HB3  GLN  34           3HB      GLN  34  -8.350  -0.417   6.884
  299    HG2  GLN  34           2HG      GLN  34  -9.204  -1.098   9.090
  300    HG3  GLN  34           3HG      GLN  34 -10.594  -1.840   8.295
  301   HE21  GLN  34          1HE2      GLN  34  -7.170  -2.046   8.865
  302   HE22  GLN  34          2HE2      GLN  34  -6.962  -3.666   8.291
  303    H    ALA  35           H        ALA  35  -8.013   2.014   7.602
  304    HA   ALA  35           HA       ALA  35  -8.198   2.236  10.465
  305    HB1  ALA  35           3HB      ALA  35  -6.032   2.013   9.374
  306    HB2  ALA  35           1HB      ALA  35  -6.120   3.530  10.268
  307    HB3  ALA  35           2HB      ALA  35  -6.292   3.528   8.512
  308    H    GLU  36           H        GLU  36  -9.487   3.898   7.851
  309    HA   GLU  36           HA       GLU  36 -10.772   5.740   7.638
  310    HB2  GLU  36           2HB      GLU  36 -10.616   5.686  10.648
  311    HB3  GLU  36           3HB      GLU  36 -11.557   6.882   9.764
  312    HG2  GLU  36           2HG      GLU  36 -12.925   5.162   8.793
  313    HG3  GLU  36           3HG      GLU  36 -11.924   3.907   9.519
  314    H    GLN  37           H        GLN  37  -7.981   5.913   7.358
  315    HA   GLN  37           HA       GLN  37  -7.626   8.772   7.953
  316    HB2  GLN  37           2HB      GLN  37  -5.172   8.350   8.083
  317    HB3  GLN  37           3HB      GLN  37  -6.083   7.567   9.368
  318    HG2  GLN  37           2HG      GLN  37  -6.005   5.461   8.033
  319    HG3  GLN  37           3HG      GLN  37  -4.922   6.284   6.912
  320   HE21  GLN  37          1HE2      GLN  37  -3.249   4.876   7.317
  321   HE22  GLN  37          2HE2      GLN  37  -2.367   4.864   8.804
  322    H    ASP  38           H        ASP  38  -6.627  10.009   6.304
  323    HA   ASP  38           HA       ASP  38  -7.062   8.824   3.665
  324    HB2  ASP  38           2HB      ASP  38  -6.600  11.718   4.428
  325    HB3  ASP  38           3HB      ASP  38  -7.043  11.129   2.829
  326    H    ILE  39           H        ILE  39  -4.642   8.563   5.508
  327    HA   ILE  39           HA       ILE  39  -2.592   9.195   3.489
  328    HB   ILE  39           HB       ILE  39  -2.237   9.316   6.496
  329   HG12  ILE  39          2HG1      ILE  39  -2.242  11.576   4.483
  330   HG13  ILE  39          3HG1      ILE  39  -3.566  11.207   5.582
  331   HG21  ILE  39          1HG2      ILE  39  -0.220   8.581   5.381
  332   HG22  ILE  39          2HG2      ILE  39  -0.012  10.233   5.963
  333   HG23  ILE  39          3HG2      ILE  39  -0.321   9.933   4.251
  334   HD11  ILE  39          3HD1      ILE  39  -0.787  12.034   6.389
  335   HD12  ILE  39          1HD1      ILE  39  -2.120  11.673   7.485
  336   HD13  ILE  39          2HD1      ILE  39  -2.222  13.057   6.397
  337    H    VAL  40           H        VAL  40  -1.248   7.516   2.989
  338    HA   VAL  40           HA       VAL  40  -1.716   5.023   4.473
  339    HB   VAL  40           HB       VAL  40  -0.872   3.808   2.562
  340   HG11  VAL  40          1HG1      VAL  40  -2.589   4.365   0.904
  341   HG12  VAL  40          2HG1      VAL  40  -2.883   5.894   1.737
  342   HG13  VAL  40          3HG1      VAL  40  -3.228   4.365   2.548
  343   HG21  VAL  40          3HG2      VAL  40  -0.256   4.940   0.476
  344   HG22  VAL  40          1HG2      VAL  40   0.834   5.350   1.802
  345   HG23  VAL  40          2HG2      VAL  40  -0.406   6.499   1.288
  346    H    THR  41           H        THR  41  -0.094   3.929   5.427
  347    HA   THR  41           HA       THR  41   2.470   5.309   5.655
  348    HB   THR  41           HB       THR  41   2.840   3.686   7.547
  349    HG1  THR  41           HG1      THR  41   0.932   2.562   8.268
  350   HG21  THR  41          3HG2      THR  41   1.263   4.789   9.085
  351   HG22  THR  41          1HG2      THR  41   0.357   5.403   7.701
  352   HG23  THR  41          2HG2      THR  41   2.012   5.945   7.981
  353    HA   PRO  42           HA       PRO  42   4.777   2.394   3.270
  354    HB2  PRO  42           2HB      PRO  42   6.879   1.808   4.957
  355    HB3  PRO  42           3HB      PRO  42   6.781   3.256   3.952
  356    HG2  PRO  42           2HG      PRO  42   6.122   2.912   6.851
  357    HG3  PRO  42           3HG      PRO  42   6.971   4.245   6.042
  358    HD2  PRO  42           2HD      PRO  42   4.405   4.473   6.762
  359    HD3  PRO  42           3HD      PRO  42   5.001   5.182   5.246
  360    H    GLU  43           H        GLU  43   4.097   1.555   6.612
  361    HA   GLU  43           HA       GLU  43   4.673  -1.221   6.296
  362    HB2  GLU  43           2HB      GLU  43   3.124   0.180   8.478
  363    HB3  GLU  43           3HB      GLU  43   3.759  -1.460   8.550
  364    HG2  GLU  43           2HG      GLU  43   5.368   1.078   8.364
  365    HG3  GLU  43           3HG      GLU  43   5.186   0.051   9.784
  366    H    LEU  44           H        LEU  44   1.839   0.781   5.896
  367    HA   LEU  44           HA       LEU  44  -0.050  -1.326   5.715
  368    HB2  LEU  44           2HB      LEU  44   0.019   1.533   5.206
  369    HB3  LEU  44           3HB      LEU  44  -0.910   0.685   3.984
  370    HG   LEU  44           HG       LEU  44  -2.349  -0.270   5.694
  371   HD11  LEU  44          1HD1      LEU  44  -0.650   1.272   7.641
  372   HD12  LEU  44          2HD1      LEU  44  -0.765  -0.484   7.506
  373   HD13  LEU  44          3HD1      LEU  44  -2.164   0.457   8.032
  374   HD21  LEU  44          3HD2      LEU  44  -2.984   1.870   4.756
  375   HD22  LEU  44          1HD2      LEU  44  -2.006   2.712   5.958
  376   HD23  LEU  44          2HD2      LEU  44  -3.428   1.800   6.461
  377    H    VAL  45           H        VAL  45   1.978   0.349   3.363
  378    HA   VAL  45           HA       VAL  45   1.180  -1.105   1.082
  379    HB   VAL  45           HB       VAL  45   3.919   0.053   1.624
  380   HG11  VAL  45          1HG1      VAL  45   4.086   0.218  -0.798
  381   HG12  VAL  45          2HG1      VAL  45   2.484  -0.497  -0.969
  382   HG13  VAL  45          3HG1      VAL  45   3.808  -1.452  -0.304
  383   HG21  VAL  45          3HG2      VAL  45   2.242   1.756   2.001
  384   HG22  VAL  45          1HG2      VAL  45   1.470   1.377   0.463
  385   HG23  VAL  45          2HG2      VAL  45   3.088   2.075   0.488
  386    H    GLU  46           H        GLU  46   3.748  -1.592   3.458
  387    HA   GLU  46           HA       GLU  46   4.897  -3.937   2.521
  388    HB2  GLU  46           2HB      GLU  46   5.744  -2.612   4.432
  389    HB3  GLU  46           3HB      GLU  46   4.363  -3.121   5.391
  390    HG2  GLU  46           2HG      GLU  46   6.276  -4.391   6.038
  391    HG3  GLU  46           3HG      GLU  46   5.144  -5.451   5.202
  392    H    GLN  47           H        GLN  47   2.269  -3.592   4.894
  393    HA   GLN  47           HA       GLN  47   1.687  -6.278   5.242
  394    HB2  GLN  47           2HB      GLN  47   0.802  -4.465   6.657
  395    HB3  GLN  47           3HB      GLN  47  -0.242  -3.955   5.338
  396    HG2  GLN  47           2HG      GLN  47  -1.489  -5.236   6.953
  397    HG3  GLN  47           3HG      GLN  47  -1.397  -6.112   5.425
  398   HE21  GLN  47          1HE2      GLN  47  -1.749  -8.107   6.350
  399   HE22  GLN  47          2HE2      GLN  47  -0.576  -8.884   7.361
  400    H    ALA  48           H        ALA  48   0.246  -3.990   2.924
  401    HA   ALA  48           HA       ALA  48  -1.602  -5.773   1.804
  402    HB1  ALA  48           3HB      ALA  48  -1.672  -3.354   1.447
  403    HB2  ALA  48           1HB      ALA  48  -1.714  -4.242  -0.076
  404    HB3  ALA  48           2HB      ALA  48  -0.221  -3.462   0.448
  405    H    ARG  49           H        ARG  49   1.806  -5.211   1.073
  406    HA   ARG  49           HA       ARG  49   1.743  -6.875  -1.277
  407    HB2  ARG  49           2HB      ARG  49   3.347  -4.986  -1.007
  408    HB3  ARG  49           3HB      ARG  49   4.136  -5.878   0.288
  409    HG2  ARG  49           2HG      ARG  49   3.898  -7.443  -2.147
  410    HG3  ARG  49           3HG      ARG  49   4.803  -5.947  -2.380
  411    HD2  ARG  49           2HD      ARG  49   5.418  -7.621  -0.002
  412    HD3  ARG  49           3HD      ARG  49   5.971  -8.176  -1.581
  413    HE   ARG  49           HE       ARG  49   7.386  -6.310  -1.731
  414   HH11  ARG  49          1HH1      ARG  49   5.574  -6.317   1.259
  415   HH12  ARG  49          2HH1      ARG  49   6.663  -5.231   2.068
  416   HH21  ARG  49          1HH2      ARG  49   8.825  -4.890  -0.668
  417   HH22  ARG  49          2HH2      ARG  49   8.514  -4.447   0.983
  418    H    LEU  50           H        LEU  50   2.218  -7.288   2.112
  419    HA   LEU  50           HA       LEU  50   3.404  -9.890   1.990
  420    HB2  LEU  50           2HB      LEU  50   2.994  -8.028   3.961
  421    HB3  LEU  50           3HB      LEU  50   1.775  -9.227   4.349
  422    HG   LEU  50           HG       LEU  50   3.819  -9.627   5.606
  423   HD11  LEU  50          1HD1      LEU  50   2.488 -11.563   5.006
  424   HD12  LEU  50          2HD1      LEU  50   4.205 -11.971   4.975
  425   HD13  LEU  50          3HD1      LEU  50   3.335 -11.694   3.465
  426   HD21  LEU  50          3HD2      LEU  50   5.891 -10.243   4.474
  427   HD22  LEU  50          1HD2      LEU  50   5.393  -8.606   4.050
  428   HD23  LEU  50          2HD2      LEU  50   5.134  -9.931   2.911
  429    H    GLU  51           H        GLU  51   0.146  -8.596   2.343
  430    HA   GLU  51           HA       GLU  51  -1.337 -10.897   2.704
  431    HB2  GLU  51           2HB      GLU  51  -2.009  -8.440   1.074
  432    HB3  GLU  51           3HB      GLU  51  -3.174  -9.671   1.533
  433    HG2  GLU  51           2HG      GLU  51  -1.585  -8.013   3.470
  434    HG3  GLU  51           3HG      GLU  51  -3.234  -7.663   2.960
  435    H    PHE  52           H        PHE  52  -0.469  -9.366  -0.391
  436    HA   PHE  52           HA       PHE  52  -1.607 -11.473  -1.936
  437    HB2  PHE  52           2HB      PHE  52   0.268  -9.234  -2.715
  438    HB3  PHE  52           3HB      PHE  52  -0.466 -10.353  -3.861
  439    HD1  PHE  52           HD1      PHE  52  -3.094 -10.547  -3.657
  440    HD2  PHE  52           HD2      PHE  52  -0.787  -7.230  -2.322
  441    HE1  PHE  52           HE1      PHE  52  -5.090  -9.114  -3.779
  442    HE2  PHE  52           HE2      PHE  52  -2.782  -5.795  -2.437
  443    HZ   PHE  52           HZ       PHE  52  -4.934  -6.737  -3.166
  444    H    GLY  53           H        GLY  53   1.508 -10.893  -0.530
  445    HA2  GLY  53           2HA      GLY  53   3.041 -12.738  -2.012
  446    HA3  GLY  53           3HA      GLY  53   3.366 -12.230  -0.355
  447    H    GLN  54           H        GLN  54   1.014 -13.105   0.857
  448    HA   GLN  54           HA       GLN  54   1.515 -15.900   1.149
  449    HB2  GLN  54           2HB      GLN  54  -0.609 -14.076   2.272
  450    HB3  GLN  54           3HB      GLN  54  -0.527 -15.790   2.653
  451    HG2  GLN  54           2HG      GLN  54   1.676 -13.805   3.173
  452    HG3  GLN  54           3HG      GLN  54   0.504 -14.355   4.370
  453   HE21  GLN  54          1HE2      GLN  54   0.585 -16.497   5.082
  454   HE22  GLN  54          2HE2      GLN  54   2.016 -17.459   4.913
  455    H    LEU  55           H        LEU  55  -0.882 -13.968  -0.514
  456    HA   LEU  55           HA       LEU  55  -2.677 -16.078  -1.125
  457    HB2  LEU  55           2HB      LEU  55  -2.197 -13.454  -2.541
  458    HB3  LEU  55           3HB      LEU  55  -3.558 -14.520  -2.838
  459    HG   LEU  55           HG       LEU  55  -2.976 -13.146  -0.212
  460   HD11  LEU  55          1HD1      LEU  55  -4.932 -11.773  -0.751
  461   HD12  LEU  55          2HD1      LEU  55  -5.028 -12.545  -2.335
  462   HD13  LEU  55          3HD1      LEU  55  -3.630 -11.551  -1.922
  463   HD21  LEU  55          3HD2      LEU  55  -5.369 -14.744  -1.110
  464   HD22  LEU  55          1HD2      LEU  55  -5.183 -13.928   0.441
  465   HD23  LEU  55          2HD2      LEU  55  -4.141 -15.292   0.032
  466    H    GLU  56           H        GLU  56   0.169 -14.775  -2.710
  467    HA   GLU  56           HA       GLU  56  -0.161 -16.596  -4.960
  468    HB2  GLU  56           2HB      GLU  56   0.535 -14.203  -5.269
  469    HB3  GLU  56           3HB      GLU  56   2.039 -14.585  -4.450
  470    HG2  GLU  56           2HG      GLU  56   2.132 -14.523  -6.954
  471    HG3  GLU  56           3HG      GLU  56   2.754 -15.988  -6.198
  472    H    HIS  57           H        HIS  57   0.773 -17.025  -1.959
  473    HA   HIS  57           HA       HIS  57   3.214 -18.527  -2.410
  474    HB2  HIS  57           2HB      HIS  57   2.506 -17.238  -0.242
  475    HB3  HIS  57           3HB      HIS  57   1.552 -18.675   0.096
  476    HD1  HIS  57           HD1      HIS  57   4.436 -17.370   1.305
  477    HD2  HIS  57           HD2      HIS  57   3.681 -21.021  -0.543
  478    HE1  HIS  57           HE1      HIS  57   6.282 -18.899   2.046
  479    HE2  HIS  57           HE2      HIS  57   5.914 -21.038   0.772
  480    H    HIS  58           H        HIS  58   3.130 -20.491  -3.286
  481    HA   HIS  58           HA       HIS  58   0.572 -21.905  -3.326
  482    HB2  HIS  58           2HB      HIS  58   3.145 -22.403  -4.838
  483    HB3  HIS  58           3HB      HIS  58   1.669 -23.342  -5.035
  484    HD1  HIS  58           HD1      HIS  58  -0.187 -22.337  -6.445
  485    HD2  HIS  58           HD2      HIS  58   3.035 -19.775  -5.907
  486    HE1  HIS  58           HE1      HIS  58  -0.565 -20.432  -8.045
  487    HE2  HIS  58           HE2      HIS  58   1.288 -18.795  -7.549
  488    H    HIS  59           H        HIS  59   0.146 -23.534  -1.985
  489    HA   HIS  59           HA       HIS  59   2.360 -25.230  -1.103
  490    HB2  HIS  59           2HB      HIS  59   1.990 -23.474   0.641
  491    HB3  HIS  59           3HB      HIS  59   0.352 -24.082   0.848
  492    HD1  HIS  59           HD1      HIS  59   1.798 -24.174   3.348
  493    HD2  HIS  59           HD2      HIS  59   2.296 -27.205   0.541
  494    HE1  HIS  59           HE1      HIS  59   2.640 -26.162   4.632
  495    HE2  HIS  59           HE2      HIS  59   2.776 -28.027   2.950
  496    H    HIS  60           H        HIS  60  -1.093 -24.986  -0.121
  497    HA   HIS  60           HA       HIS  60  -1.504 -27.665  -1.252
  498    HB2  HIS  60           2HB      HIS  60  -2.273 -28.610   0.828
  499    HB3  HIS  60           3HB      HIS  60  -0.665 -27.945   1.082
  500    HD1  HIS  60           HD1      HIS  60  -4.154 -27.722   2.255
  501    HD2  HIS  60           HD2      HIS  60  -0.642 -25.525   2.662
  502    HE1  HIS  60           HE1      HIS  60  -4.550 -26.156   4.186
  503    HE2  HIS  60           HE2      HIS  60  -2.365 -24.931   4.500
  504    H    HIS  61           H        HIS  61  -2.589 -24.911  -1.746
  505    HA   HIS  61           HA       HIS  61  -4.589 -23.915  -2.232
  506    HB2  HIS  61           2HB      HIS  61  -5.643 -26.725  -1.794
  507    HB3  HIS  61           3HB      HIS  61  -6.640 -25.387  -2.348
  508    HD1  HIS  61           HD1      HIS  61  -6.735 -25.016  -4.806
  509    HD2  HIS  61           HD2      HIS  61  -3.524 -27.411  -3.686
  510    HE1  HIS  61           HE1      HIS  61  -5.762 -25.891  -6.950
  511    HE2  HIS  61           HE2      HIS  61  -3.918 -27.456  -6.244
  512    H    HIS  62           H        HIS  62  -7.155 -24.311  -1.085
  513    HA   HIS  62           HA       HIS  62  -6.710 -24.316   1.811
  514    HB2  HIS  62           2HB      HIS  62  -6.726 -21.940   1.014
  515    HB3  HIS  62           3HB      HIS  62  -8.358 -22.199   0.403
  516    HD1  HIS  62           HD1      HIS  62 -10.224 -21.796   2.015
  517    HD2  HIS  62           HD2      HIS  62  -6.553 -22.228   3.915
  518    HE1  HIS  62           HE1      HIS  62 -10.651 -21.280   4.441
  519    HE2  HIS  62           HE2      HIS  62  -8.401 -21.480   5.562
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1  -8.547   9.866  -6.761
    2    H2   MET   1           2H       MET   1  -9.818   9.309  -7.732
    3    H3   MET   1           3H       MET   1  -8.211   9.076  -8.224
    4    HA   MET   1           HA       MET   1  -9.540   7.840  -5.883
    5    HB2  MET   1           2HB      MET   1  -8.502   6.644  -8.465
    6    HB3  MET   1           3HB      MET   1  -9.134   5.722  -7.111
    7    HG2  MET   1           2HG      MET   1 -10.860   5.838  -8.702
    8    HG3  MET   1           3HG      MET   1 -11.298   6.967  -7.422
    9    HE1  MET   1           3HE      MET   1 -12.757   8.833 -10.485
   10    HE2  MET   1           1HE      MET   1 -13.055   8.204  -8.868
   11    HE3  MET   1           2HE      MET   1 -12.769   7.093 -10.205
   12    H    ASN   2           H        ASN   2  -7.388   9.406  -5.368
   13    HA   ASN   2           HA       ASN   2  -5.330   7.401  -4.747
   14    HB2  ASN   2           2HB      ASN   2  -4.913  10.129  -5.944
   15    HB3  ASN   2           3HB      ASN   2  -3.660   9.366  -4.975
   16   HD21  ASN   2          1HD2      ASN   2  -5.387   9.333  -7.970
   17   HD22  ASN   2          2HD2      ASN   2  -4.361   8.202  -8.781
   18    H    LEU   3           H        LEU   3  -4.905   7.329  -2.643
   19    HA   LEU   3           HA       LEU   3  -5.787   9.490  -0.919
   20    HB2  LEU   3           2HB      LEU   3  -4.480   6.835  -0.358
   21    HB3  LEU   3           3HB      LEU   3  -4.794   8.019   0.898
   22    HG   LEU   3           HG       LEU   3  -6.855   6.616  -0.808
   23   HD11  LEU   3          1HD1      LEU   3  -7.594   5.699   1.346
   24   HD12  LEU   3          2HD1      LEU   3  -6.229   6.486   2.137
   25   HD13  LEU   3          3HD1      LEU   3  -5.947   5.218   0.944
   26   HD21  LEU   3          3HD2      LEU   3  -7.236   8.702   1.337
   27   HD22  LEU   3          1HD2      LEU   3  -8.518   7.814   0.514
   28   HD23  LEU   3          2HD2      LEU   3  -7.500   8.937  -0.393
   29    H    ARG   4           H        ARG   4  -3.992   9.849   0.979
   30    HA   ARG   4           HA       ARG   4  -1.869  11.215  -0.451
   31    HB2  ARG   4           2HB      ARG   4  -2.389  11.135   2.523
   32    HB3  ARG   4           3HB      ARG   4  -1.385  12.292   1.654
   33    HG2  ARG   4           2HG      ARG   4  -3.304  13.201   0.543
   34    HG3  ARG   4           3HG      ARG   4  -4.344  11.968   1.267
   35    HD2  ARG   4           2HD      ARG   4  -3.436  12.907   3.512
   36    HD3  ARG   4           3HD      ARG   4  -3.019  14.322   2.548
   37    HE   ARG   4           HE       ARG   4  -5.670  13.675   1.985
   38   HH11  ARG   4          1HH1      ARG   4  -3.755  14.856   4.675
   39   HH12  ARG   4          2HH1      ARG   4  -5.110  15.621   5.461
   40   HH21  ARG   4          1HH2      ARG   4  -7.424  14.666   2.985
   41   HH22  ARG   4          2HH2      ARG   4  -7.217  15.500   4.498
   42    H    TRP   5           H        TRP   5  -0.007  10.302  -0.849
   43    HA   TRP   5           HA       TRP   5   0.726   7.914   0.684
   44    HB2  TRP   5           2HB      TRP   5   1.591   8.899  -2.039
   45    HB3  TRP   5           3HB      TRP   5   2.367   7.551  -1.221
   46    HD1  TRP   5           HD1      TRP   5  -1.202   8.503  -2.430
   47    HE1  TRP   5           HE1      TRP   5  -2.391   6.332  -3.153
   48    HE3  TRP   5           HE3      TRP   5   2.458   5.152  -1.214
   49    HZ2  TRP   5           HZ2      TRP   5  -1.826   3.563  -3.210
   50    HZ3  TRP   5           HZ3      TRP   5   2.058   2.761  -1.636
   51    HH2  TRP   5           HH2      TRP   5  -0.042   1.985  -2.612
   52    H    THR   6           H        THR   6   2.270   8.004   2.133
   53    HA   THR   6           HA       THR   6   3.951  10.279   2.483
   54    HB   THR   6           HB       THR   6   5.133   8.797   4.155
   55    HG1  THR   6           HG1      THR   6   3.032   6.946   3.886
   56   HG21  THR   6          3HG2      THR   6   2.124   8.947   4.411
   57   HG22  THR   6          1HG2      THR   6   3.260  10.234   4.825
   58   HG23  THR   6          2HG2      THR   6   3.268   8.721   5.735
   59    H    SER   7           H        SER   7   6.339  10.204   2.356
   60    HA   SER   7           HA       SER   7   7.232   9.358  -0.161
   61    HB2  SER   7           2HB      SER   7   8.305  11.155   1.165
   62    HB3  SER   7           3HB      SER   7   8.895   9.947   2.304
   63    HG   SER   7           HG       SER   7  10.562   9.935   1.020
   64    H    GLU   8           H        GLU   8   7.545   7.913   3.030
   65    HA   GLU   8           HA       GLU   8   9.131   5.708   2.365
   66    HB2  GLU   8           2HB      GLU   8   7.025   6.064   4.501
   67    HB3  GLU   8           3HB      GLU   8   8.066   4.654   4.393
   68    HG2  GLU   8           2HG      GLU   8   8.849   6.264   6.050
   69    HG3  GLU   8           3HG      GLU   8  10.020   6.012   4.761
   70    H    ALA   9           H        ALA   9   5.617   6.121   2.382
   71    HA   ALA   9           HA       ALA   9   4.940   3.479   1.685
   72    HB1  ALA   9           3HB      ALA   9   2.757   4.355   1.101
   73    HB2  ALA   9           1HB      ALA   9   3.396   5.999   1.101
   74    HB3  ALA   9           2HB      ALA   9   3.326   5.081   2.604
   75    H    LYS  10           H        LYS  10   5.408   6.380  -0.311
   76    HA   LYS  10           HA       LYS  10   4.860   5.263  -2.807
   77    HB2  LYS  10           2HB      LYS  10   6.828   7.445  -2.072
   78    HB3  LYS  10           3HB      LYS  10   6.278   7.099  -3.708
   79    HG2  LYS  10           2HG      LYS  10   4.092   7.808  -3.246
   80    HG3  LYS  10           3HG      LYS  10   4.348   7.745  -1.504
   81    HD2  LYS  10           2HD      LYS  10   4.336  10.038  -2.160
   82    HD3  LYS  10           3HD      LYS  10   5.995   9.604  -1.755
   83    HE2  LYS  10           2HE      LYS  10   6.503   9.336  -4.138
   84    HE3  LYS  10           3HE      LYS  10   4.843   9.778  -4.536
   85    HZ1  LYS  10           3HZ      LYS  10   6.254  11.687  -4.779
   86    HZ2  LYS  10           1HZ      LYS  10   6.857  11.504  -3.201
   87    HZ3  LYS  10           2HZ      LYS  10   5.235  11.934  -3.445
   88    H    THR  11           H        THR  11   7.923   5.371  -1.006
   89    HA   THR  11           HA       THR  11   9.470   4.080  -2.992
   90    HB   THR  11           HB       THR  11   9.937   4.201  -0.004
   91    HG1  THR  11           HG1      THR  11  10.975   6.110  -0.418
   92   HG21  THR  11          3HG2      THR  11  11.306   2.486  -1.089
   93   HG22  THR  11          1HG2      THR  11  12.300   3.852  -0.585
   94   HG23  THR  11          2HG2      THR  11  11.854   3.666  -2.281
   95    H    LYS  12           H        LYS  12   7.638   2.876  -0.208
   96    HA   LYS  12           HA       LYS  12   8.368   0.164  -0.435
   97    HB2  LYS  12           2HB      LYS  12   5.993   1.574   0.749
   98    HB3  LYS  12           3HB      LYS  12   6.080  -0.180   0.718
   99    HG2  LYS  12           2HG      LYS  12   8.216   1.541   1.943
  100    HG3  LYS  12           3HG      LYS  12   6.833   0.916   2.848
  101    HD2  LYS  12           2HD      LYS  12   7.506  -1.378   2.204
  102    HD3  LYS  12           3HD      LYS  12   8.932  -0.708   1.405
  103    HE2  LYS  12           2HE      LYS  12   9.740   0.168   3.501
  104    HE3  LYS  12           3HE      LYS  12   8.271  -0.355   4.323
  105    HZ1  LYS  12           3HZ      LYS  12  10.108  -1.873   4.716
  106    HZ2  LYS  12           1HZ      LYS  12  10.268  -2.156   3.050
  107    HZ3  LYS  12           2HZ      LYS  12   8.863  -2.652   3.868
  108    H    LEU  13           H        LEU  13   5.784   2.048  -1.930
  109    HA   LEU  13           HA       LEU  13   4.406  -0.047  -3.186
  110    HB2  LEU  13           2HB      LEU  13   3.599   2.293  -2.984
  111    HB3  LEU  13           3HB      LEU  13   4.795   2.786  -4.168
  112    HG   LEU  13           HG       LEU  13   3.689   1.375  -5.866
  113   HD11  LEU  13          1HD1      LEU  13   2.722  -0.308  -4.402
  114   HD12  LEU  13          2HD1      LEU  13   1.479   0.436  -5.408
  115   HD13  LEU  13          3HD1      LEU  13   1.634   0.897  -3.712
  116   HD21  LEU  13          3HD2      LEU  13   1.859   3.339  -4.485
  117   HD22  LEU  13          1HD2      LEU  13   1.689   2.762  -6.144
  118   HD23  LEU  13          2HD2      LEU  13   3.092   3.728  -5.687
  119    H    LYS  14           H        LYS  14   7.260   1.768  -4.131
  120    HA   LYS  14           HA       LYS  14   7.479   0.724  -6.763
  121    HB2  LYS  14           2HB      LYS  14   9.585   1.886  -4.936
  122    HB3  LYS  14           3HB      LYS  14   9.807   1.567  -6.650
  123    HG2  LYS  14           2HG      LYS  14   8.134   3.201  -7.219
  124    HG3  LYS  14           3HG      LYS  14   7.759   3.454  -5.511
  125    HD2  LYS  14           2HD      LYS  14  10.023   4.272  -5.130
  126    HD3  LYS  14           3HD      LYS  14  10.417   3.994  -6.826
  127    HE2  LYS  14           2HE      LYS  14   8.757   5.632  -7.501
  128    HE3  LYS  14           3HE      LYS  14   8.294   5.881  -5.818
  129    HZ1  LYS  14           3HZ      LYS  14   9.818   7.597  -6.653
  130    HZ2  LYS  14           1HZ      LYS  14  11.000   6.407  -6.925
  131    HZ3  LYS  14           2HZ      LYS  14  10.474   6.738  -5.343
  132    H    ASN  15           H        ASN  15   8.042  -0.675  -3.721
  133    HA   ASN  15           HA       ASN  15   9.961  -2.620  -4.751
  134    HB2  ASN  15           2HB      ASN  15   8.942  -1.962  -2.006
  135    HB3  ASN  15           3HB      ASN  15   9.683  -3.527  -2.312
  136   HD21  ASN  15          1HD2      ASN  15  10.205  -0.089  -2.145
  137   HD22  ASN  15          2HD2      ASN  15  11.936  -0.162  -2.098
  138    H    ILE  16           H        ILE  16   6.757  -2.238  -4.951
  139    HA   ILE  16           HA       ILE  16   6.083  -5.065  -4.590
  140    HB   ILE  16           HB       ILE  16   4.309  -2.748  -5.411
  141   HG12  ILE  16          2HG1      ILE  16   4.629  -4.110  -2.727
  142   HG13  ILE  16          3HG1      ILE  16   5.191  -2.492  -3.130
  143   HG21  ILE  16          1HG2      ILE  16   3.589  -5.547  -4.541
  144   HG22  ILE  16          2HG2      ILE  16   3.473  -4.910  -6.181
  145   HG23  ILE  16          3HG2      ILE  16   2.451  -4.249  -4.905
  146   HD11  ILE  16          3HD1      ILE  16   3.137  -2.437  -1.845
  147   HD12  ILE  16          1HD1      ILE  16   2.329  -3.401  -3.080
  148   HD13  ILE  16          2HD1      ILE  16   2.895  -1.773  -3.459
  149    HA   PRO  17           HA       PRO  17   6.931  -6.065  -8.869
  150    HB2  PRO  17           2HB      PRO  17   4.612  -7.896  -8.454
  151    HB3  PRO  17           3HB      PRO  17   6.220  -8.249  -9.099
  152    HG2  PRO  17           2HG      PRO  17   5.574  -8.977  -6.629
  153    HG3  PRO  17           3HG      PRO  17   7.187  -8.334  -6.988
  154    HD2  PRO  17           2HD      PRO  17   4.869  -7.006  -5.653
  155    HD3  PRO  17           3HD      PRO  17   6.604  -6.855  -5.315
  156    H    PHE  18           H        PHE  18   6.165  -5.292 -10.775
  157    HA   PHE  18           HA       PHE  18   4.277  -3.273 -10.730
  158    HB2  PHE  18           2HB      PHE  18   6.034  -3.427 -12.429
  159    HB3  PHE  18           3HB      PHE  18   5.239  -4.829 -13.137
  160    HD1  PHE  18           HD1      PHE  18   4.899  -1.207 -12.506
  161    HD2  PHE  18           HD2      PHE  18   3.459  -4.580 -14.656
  162    HE1  PHE  18           HE1      PHE  18   3.556   0.280 -13.933
  163    HE2  PHE  18           HE2      PHE  18   2.113  -3.100 -16.088
  164    HZ   PHE  18           HZ       PHE  18   2.160  -0.667 -15.726
  165    H    PHE  19           H        PHE  19   3.864  -6.611 -11.849
  166    HA   PHE  19           HA       PHE  19   1.336  -6.334 -12.989
  167    HB2  PHE  19           2HB      PHE  19   2.634  -8.721 -11.681
  168    HB3  PHE  19           3HB      PHE  19   1.118  -8.804 -12.572
  169    HD1  PHE  19           HD1      PHE  19   4.733  -8.230 -12.845
  170    HD2  PHE  19           HD2      PHE  19   1.065  -8.701 -14.955
  171    HE1  PHE  19           HE1      PHE  19   5.979  -8.514 -14.942
  172    HE2  PHE  19           HE2      PHE  19   2.311  -8.989 -17.056
  173    HZ   PHE  19           HZ       PHE  19   4.771  -8.898 -17.049
  174    H    ALA  20           H        ALA  20   2.249  -6.555  -9.645
  175    HA   ALA  20           HA       ALA  20  -0.602  -6.680  -8.921
  176    HB1  ALA  20           3HB      ALA  20   0.062  -7.691  -6.803
  177    HB2  ALA  20           1HB      ALA  20   1.756  -7.630  -7.296
  178    HB3  ALA  20           2HB      ALA  20   0.618  -8.658  -8.170
  179    H    ARG  21           H        ARG  21   1.609  -4.469  -9.391
  180    HA   ARG  21           HA       ARG  21   1.864  -3.222  -6.835
  181    HB2  ARG  21           2HB      ARG  21   3.489  -2.944  -8.722
  182    HB3  ARG  21           3HB      ARG  21   2.290  -1.955  -9.543
  183    HG2  ARG  21           2HG      ARG  21   2.376  -0.296  -7.838
  184    HG3  ARG  21           3HG      ARG  21   3.370  -1.327  -6.808
  185    HD2  ARG  21           2HD      ARG  21   4.815   0.276  -7.789
  186    HD3  ARG  21           3HD      ARG  21   5.122  -1.261  -8.594
  187    HE   ARG  21           HE       ARG  21   3.198   0.234 -10.044
  188   HH11  ARG  21          1HH1      ARG  21   6.622  -0.015  -9.375
  189   HH12  ARG  21          2HH1      ARG  21   7.103   0.916 -10.766
  190   HH21  ARG  21          1HH2      ARG  21   3.817   1.440 -11.904
  191   HH22  ARG  21          2HH2      ARG  21   5.503   1.710 -12.224
  192    H    SER  22           H        SER  22  -0.017  -2.413  -9.744
  193    HA   SER  22           HA       SER  22  -1.464  -0.306  -8.545
  194    HB2  SER  22           2HB      SER  22  -2.351  -2.051 -10.857
  195    HB3  SER  22           3HB      SER  22  -2.875  -0.403 -10.504
  196    HG   SER  22           HG       SER  22  -1.259  -0.452 -12.134
  197    H    GLN  23           H        GLN  23  -1.833  -3.756  -8.547
  198    HA   GLN  23           HA       GLN  23  -4.521  -3.817  -7.578
  199    HB2  GLN  23           2HB      GLN  23  -3.320  -5.717  -8.754
  200    HB3  GLN  23           3HB      GLN  23  -2.409  -5.959  -7.270
  201    HG2  GLN  23           2HG      GLN  23  -4.075  -7.499  -7.029
  202    HG3  GLN  23           3HG      GLN  23  -4.760  -6.117  -6.177
  203   HE21  GLN  23          1HE2      GLN  23  -5.199  -4.800  -8.861
  204   HE22  GLN  23          2HE2      GLN  23  -6.645  -5.531  -9.459
  205    H    ALA  24           H        ALA  24  -1.314  -4.180  -6.095
  206    HA   ALA  24           HA       ALA  24  -2.152  -4.415  -3.440
  207    HB1  ALA  24           3HB      ALA  24   0.135  -4.880  -4.159
  208    HB2  ALA  24           1HB      ALA  24   0.105  -3.719  -2.830
  209    HB3  ALA  24           2HB      ALA  24   0.388  -3.165  -4.482
  210    H    LYS  25           H        LYS  25  -1.378  -1.548  -5.377
  211    HA   LYS  25           HA       LYS  25  -1.645   0.441  -3.499
  212    HB2  LYS  25           2HB      LYS  25  -0.949   0.925  -5.766
  213    HB3  LYS  25           3HB      LYS  25  -2.518   0.436  -6.393
  214    HG2  LYS  25           2HG      LYS  25  -3.572   2.307  -5.259
  215    HG3  LYS  25           3HG      LYS  25  -2.015   2.791  -4.590
  216    HD2  LYS  25           2HD      LYS  25  -1.167   3.103  -6.891
  217    HD3  LYS  25           3HD      LYS  25  -2.774   2.711  -7.507
  218    HE2  LYS  25           2HE      LYS  25  -2.179   4.973  -5.609
  219    HE3  LYS  25           3HE      LYS  25  -2.290   5.153  -7.358
  220    HZ1  LYS  25           3HZ      LYS  25  -4.591   4.422  -7.259
  221    HZ2  LYS  25           1HZ      LYS  25  -4.352   5.760  -6.248
  222    HZ3  LYS  25           2HZ      LYS  25  -4.487   4.215  -5.570
  223    H    ALA  26           H        ALA  26  -4.230  -1.059  -5.428
  224    HA   ALA  26           HA       ALA  26  -6.370   0.429  -4.429
  225    HB1  ALA  26           3HB      ALA  26  -6.540  -0.999  -6.404
  226    HB2  ALA  26           1HB      ALA  26  -7.794  -1.385  -5.228
  227    HB3  ALA  26           2HB      ALA  26  -6.385  -2.433  -5.389
  228    H    ARG  27           H        ARG  27  -4.790  -2.468  -3.159
  229    HA   ARG  27           HA       ARG  27  -6.719  -2.797  -1.054
  230    HB2  ARG  27           2HB      ARG  27  -5.425  -4.701  -1.959
  231    HB3  ARG  27           3HB      ARG  27  -3.953  -3.991  -1.311
  232    HG2  ARG  27           2HG      ARG  27  -4.617  -4.370   0.907
  233    HG3  ARG  27           3HG      ARG  27  -6.291  -4.680   0.441
  234    HD2  ARG  27           2HD      ARG  27  -3.920  -6.415  -0.254
  235    HD3  ARG  27           3HD      ARG  27  -5.097  -6.747   1.018
  236    HE   ARG  27           HE       ARG  27  -6.061  -6.450  -1.733
  237   HH11  ARG  27          1HH1      ARG  27  -5.387  -8.548   0.999
  238   HH12  ARG  27          2HH1      ARG  27  -6.341  -9.857   0.380
  239   HH21  ARG  27          1HH2      ARG  27  -7.304  -8.165  -2.541
  240   HH22  ARG  27          2HH2      ARG  27  -7.429  -9.653  -1.642
  241    H    ILE  28           H        ILE  28  -3.526  -1.299  -1.350
  242    HA   ILE  28           HA       ILE  28  -3.013  -0.782   1.353
  243    HB   ILE  28           HB       ILE  28  -2.271   0.907  -1.048
  244   HG12  ILE  28          2HG1      ILE  28  -0.613  -1.140   0.432
  245   HG13  ILE  28          3HG1      ILE  28  -1.506  -1.490  -1.044
  246   HG21  ILE  28          1HG2      ILE  28  -2.082   2.193   1.000
  247   HG22  ILE  28          2HG2      ILE  28  -0.477   1.798   0.379
  248   HG23  ILE  28          3HG2      ILE  28  -1.139   0.904   1.749
  249   HD11  ILE  28          3HD1      ILE  28   0.852  -1.066  -1.476
  250   HD12  ILE  28          1HD1      ILE  28   0.691   0.545  -0.775
  251   HD13  ILE  28          2HD1      ILE  28  -0.180   0.135  -2.253
  252    H    GLU  29           H        GLU  29  -4.562   1.302  -1.074
  253    HA   GLU  29           HA       GLU  29  -5.202   3.358   0.765
  254    HB2  GLU  29           2HB      GLU  29  -6.364   2.759  -1.967
  255    HB3  GLU  29           3HB      GLU  29  -6.564   4.271  -1.080
  256    HG2  GLU  29           2HG      GLU  29  -4.188   4.688  -1.172
  257    HG3  GLU  29           3HG      GLU  29  -3.910   3.128  -1.938
  258    H    GLN  30           H        GLN  30  -6.841   0.459  -0.289
  259    HA   GLN  30           HA       GLN  30  -9.357   0.935   0.912
  260    HB2  GLN  30           2HB      GLN  30  -8.942  -0.915  -0.657
  261    HB3  GLN  30           3HB      GLN  30  -7.861  -1.663   0.508
  262    HG2  GLN  30           2HG      GLN  30  -9.790  -1.865   2.069
  263    HG3  GLN  30           3HG      GLN  30 -10.834  -1.288   0.770
  264   HE21  GLN  30          1HE2      GLN  30  -8.889  -3.913   1.938
  265   HE22  GLN  30          2HE2      GLN  30  -9.444  -5.097   0.811
  266    H    LEU  31           H        LEU  31  -6.358  -0.521   2.123
  267    HA   LEU  31           HA       LEU  31  -7.322  -1.191   4.687
  268    HB2  LEU  31           2HB      LEU  31  -4.506  -0.610   3.765
  269    HB3  LEU  31           3HB      LEU  31  -4.925  -1.324   5.310
  270    HG   LEU  31           HG       LEU  31  -5.582  -2.585   2.645
  271   HD11  LEU  31          1HD1      LEU  31  -3.726  -4.084   3.026
  272   HD12  LEU  31          2HD1      LEU  31  -3.318  -3.245   4.523
  273   HD13  LEU  31          3HD1      LEU  31  -3.155  -2.419   2.972
  274   HD21  LEU  31          3HD2      LEU  31  -5.653  -3.651   5.464
  275   HD22  LEU  31          1HD2      LEU  31  -5.942  -4.598   4.004
  276   HD23  LEU  31          2HD2      LEU  31  -7.044  -3.294   4.443
  277    H    ALA  32           H        ALA  32  -5.963   1.755   3.356
  278    HA   ALA  32           HA       ALA  32  -5.592   3.117   5.803
  279    HB1  ALA  32           3HB      ALA  32  -4.583   3.857   3.703
  280    HB2  ALA  32           1HB      ALA  32  -5.517   5.145   4.465
  281    HB3  ALA  32           2HB      ALA  32  -6.179   4.272   3.083
  282    H    ARG  33           H        ARG  33  -8.363   2.776   3.643
  283    HA   ARG  33           HA       ARG  33 -10.094   4.553   4.972
  284    HB2  ARG  33           2HB      ARG  33 -10.719   2.036   3.420
  285    HB3  ARG  33           3HB      ARG  33 -11.926   3.198   3.951
  286    HG2  ARG  33           2HG      ARG  33  -9.651   3.777   2.067
  287    HG3  ARG  33           3HG      ARG  33 -11.331   3.498   1.600
  288    HD2  ARG  33           2HD      ARG  33 -11.995   5.454   2.954
  289    HD3  ARG  33           3HD      ARG  33 -10.296   5.750   3.323
  290    HE   ARG  33           HE       ARG  33 -10.568   5.636   0.546
  291   HH11  ARG  33          1HH1      ARG  33 -11.555   7.679   3.224
  292   HH12  ARG  33          2HH1      ARG  33 -11.635   9.123   2.254
  293   HH21  ARG  33          1HH2      ARG  33 -10.645   7.525  -0.722
  294   HH22  ARG  33          2HH2      ARG  33 -11.128   9.037   0.002
  295    H    GLN  34           H        GLN  34  -9.314   1.154   5.535
  296    HA   GLN  34           HA       GLN  34 -11.177   0.803   7.665
  297    HB2  GLN  34           2HB      GLN  34  -8.631  -0.714   7.066
  298    HB3  GLN  34           3HB      GLN  34  -9.870  -1.222   8.201
  299    HG2  GLN  34           2HG      GLN  34 -11.480  -1.336   6.327
  300    HG3  GLN  34           3HG      GLN  34 -10.165  -0.947   5.221
  301   HE21  GLN  34          1HE2      GLN  34  -8.234  -2.523   6.806
  302   HE22  GLN  34          2HE2      GLN  34  -8.580  -4.179   6.434
  303    H    ALA  35           H        ALA  35  -7.883   1.944   7.426
  304    HA   ALA  35           HA       ALA  35  -7.443   2.002  10.270
  305    HB1  ALA  35           3HB      ALA  35  -5.571   1.670   8.730
  306    HB2  ALA  35           1HB      ALA  35  -5.340   3.114   9.715
  307    HB3  ALA  35           2HB      ALA  35  -5.853   3.268   8.037
  308    H    GLU  36           H        GLU  36  -9.215   3.869   8.177
  309    HA   GLU  36           HA       GLU  36 -10.426   5.766   8.458
  310    HB2  GLU  36           2HB      GLU  36  -9.383   5.676  11.298
  311    HB3  GLU  36           3HB      GLU  36 -10.696   6.695  10.725
  312    HG2  GLU  36           2HG      GLU  36 -11.980   4.674  10.153
  313    HG3  GLU  36           3HG      GLU  36 -10.675   3.689  10.809
  314    H    GLN  37           H        GLN  37  -7.788   5.898   7.437
  315    HA   GLN  37           HA       GLN  37  -7.122   8.669   8.136
  316    HB2  GLN  37           2HB      GLN  37  -4.683   8.009   7.786
  317    HB3  GLN  37           3HB      GLN  37  -5.439   7.481   9.284
  318    HG2  GLN  37           2HG      GLN  37  -5.870   5.275   8.179
  319    HG3  GLN  37           3HG      GLN  37  -4.882   5.833   6.832
  320   HE21  GLN  37          1HE2      GLN  37  -2.681   5.962   7.069
  321   HE22  GLN  37          2HE2      GLN  37  -1.845   5.284   8.427
  322    H    ASP  38           H        ASP  38  -6.442   9.954   6.446
  323    HA   ASP  38           HA       ASP  38  -7.097   8.961   3.791
  324    HB2  ASP  38           2HB      ASP  38  -6.264  11.718   4.730
  325    HB3  ASP  38           3HB      ASP  38  -6.766  11.323   3.092
  326    H    ILE  39           H        ILE  39  -4.430   9.096   5.722
  327    HA   ILE  39           HA       ILE  39  -2.546   9.388   3.479
  328    HB   ILE  39           HB       ILE  39  -1.942   9.598   6.435
  329   HG12  ILE  39          2HG1      ILE  39  -2.226  11.863   4.451
  330   HG13  ILE  39          3HG1      ILE  39  -3.487  11.393   5.586
  331   HG21  ILE  39          1HG2      ILE  39  -0.037   8.966   5.065
  332   HG22  ILE  39          2HG2      ILE  39   0.157  10.605   5.683
  333   HG23  ILE  39          3HG2      ILE  39  -0.322  10.345   4.007
  334   HD11  ILE  39          3HD1      ILE  39  -2.234  13.306   6.397
  335   HD12  ILE  39          1HD1      ILE  39  -0.738  12.377   6.312
  336   HD13  ILE  39          2HD1      ILE  39  -2.002  11.910   7.449
  337    H    VAL  40           H        VAL  40  -1.305   7.659   2.932
  338    HA   VAL  40           HA       VAL  40  -1.704   5.239   4.531
  339    HB   VAL  40           HB       VAL  40  -0.983   3.938   2.645
  340   HG11  VAL  40          1HG1      VAL  40  -3.306   4.640   2.639
  341   HG12  VAL  40          2HG1      VAL  40  -2.685   4.518   0.994
  342   HG13  VAL  40          3HG1      VAL  40  -2.881   6.101   1.747
  343   HG21  VAL  40          3HG2      VAL  40  -0.376   5.004   0.487
  344   HG22  VAL  40          1HG2      VAL  40   0.796   5.294   1.774
  345   HG23  VAL  40          2HG2      VAL  40  -0.339   6.563   1.312
  346    H    THR  41           H        THR  41  -0.101   4.233   5.564
  347    HA   THR  41           HA       THR  41   2.527   5.518   5.548
  348    HB   THR  41           HB       THR  41   2.894   4.090   7.612
  349    HG1  THR  41           HG1      THR  41   0.890   3.302   8.565
  350   HG21  THR  41          3HG2      THR  41   1.530   5.523   9.062
  351   HG22  THR  41          1HG2      THR  41   0.566   6.017   7.669
  352   HG23  THR  41          2HG2      THR  41   2.272   6.458   7.760
  353    HA   PRO  42           HA       PRO  42   4.624   2.263   3.463
  354    HB2  PRO  42           2HB      PRO  42   6.680   1.644   5.206
  355    HB3  PRO  42           3HB      PRO  42   6.692   3.009   4.084
  356    HG2  PRO  42           2HG      PRO  42   6.011   2.953   6.997
  357    HG3  PRO  42           3HG      PRO  42   6.958   4.149   6.092
  358    HD2  PRO  42           2HD      PRO  42   4.420   4.628   6.778
  359    HD3  PRO  42           3HD      PRO  42   5.061   5.163   5.209
  360    H    GLU  43           H        GLU  43   3.601   1.757   6.746
  361    HA   GLU  43           HA       GLU  43   4.132  -1.022   6.922
  362    HB2  GLU  43           2HB      GLU  43   1.888   0.309   8.404
  363    HB3  GLU  43           3HB      GLU  43   2.947  -0.987   8.937
  364    HG2  GLU  43           2HG      GLU  43   3.676   1.910   8.610
  365    HG3  GLU  43           3HG      GLU  43   3.449   1.041  10.124
  366    H    LEU  44           H        LEU  44   1.307   0.875   5.991
  367    HA   LEU  44           HA       LEU  44  -0.430  -1.321   5.575
  368    HB2  LEU  44           2HB      LEU  44  -0.436   1.550   4.740
  369    HB3  LEU  44           3HB      LEU  44  -1.567   0.445   3.989
  370    HG   LEU  44           HG       LEU  44  -2.551  -0.068   6.168
  371   HD11  LEU  44          1HD1      LEU  44  -1.926   1.247   8.144
  372   HD12  LEU  44          2HD1      LEU  44  -0.567   1.928   7.245
  373   HD13  LEU  44          3HD1      LEU  44  -0.618   0.199   7.594
  374   HD21  LEU  44          3HD2      LEU  44  -3.475   1.760   4.874
  375   HD22  LEU  44          1HD2      LEU  44  -2.325   2.881   5.601
  376   HD23  LEU  44          2HD2      LEU  44  -3.565   2.122   6.597
  377    H    VAL  45           H        VAL  45   1.762   0.477   3.470
  378    HA   VAL  45           HA       VAL  45   1.151  -0.862   1.069
  379    HB   VAL  45           HB       VAL  45   3.848   0.225   1.904
  380   HG11  VAL  45          1HG1      VAL  45   2.669  -0.315  -0.820
  381   HG12  VAL  45          2HG1      VAL  45   3.987  -1.202  -0.052
  382   HG13  VAL  45          3HG1      VAL  45   4.213   0.484  -0.518
  383   HG21  VAL  45          3HG2      VAL  45   1.559   1.594   0.500
  384   HG22  VAL  45          1HG2      VAL  45   3.159   2.286   0.769
  385   HG23  VAL  45          2HG2      VAL  45   2.115   1.915   2.144
  386    H    GLU  46           H        GLU  46   3.534  -1.545   3.590
  387    HA   GLU  46           HA       GLU  46   4.692  -3.843   2.510
  388    HB2  GLU  46           2HB      GLU  46   5.454  -2.539   4.531
  389    HB3  GLU  46           3HB      GLU  46   4.166  -3.316   5.440
  390    HG2  GLU  46           2HG      GLU  46   6.152  -4.501   5.899
  391    HG3  GLU  46           3HG      GLU  46   5.195  -5.515   4.820
  392    H    GLN  47           H        GLN  47   2.019  -3.541   4.835
  393    HA   GLN  47           HA       GLN  47   1.377  -6.205   5.132
  394    HB2  GLN  47           2HB      GLN  47  -0.264  -3.700   5.291
  395    HB3  GLN  47           3HB      GLN  47  -1.009  -5.275   5.527
  396    HG2  GLN  47           2HG      GLN  47   1.314  -4.216   7.117
  397    HG3  GLN  47           3HG      GLN  47  -0.371  -4.172   7.633
  398   HE21  GLN  47          1HE2      GLN  47  -1.004  -6.773   6.497
  399   HE22  GLN  47          2HE2      GLN  47  -0.263  -7.942   7.542
  400    H    ALA  48           H        ALA  48   0.107  -3.924   2.717
  401    HA   ALA  48           HA       ALA  48  -1.664  -5.755   1.516
  402    HB1  ALA  48           3HB      ALA  48  -1.839  -3.346   1.190
  403    HB2  ALA  48           1HB      ALA  48  -1.748  -4.198  -0.352
  404    HB3  ALA  48           2HB      ALA  48  -0.331  -3.355   0.276
  405    H    ARG  49           H        ARG  49   1.762  -5.093   0.996
  406    HA   ARG  49           HA       ARG  49   1.952  -6.621  -1.402
  407    HB2  ARG  49           2HB      ARG  49   3.649  -4.932  -0.761
  408    HB3  ARG  49           3HB      ARG  49   4.149  -5.962   0.576
  409    HG2  ARG  49           2HG      ARG  49   4.855  -7.683  -0.962
  410    HG3  ARG  49           3HG      ARG  49   4.246  -6.749  -2.329
  411    HD2  ARG  49           2HD      ARG  49   6.647  -6.530  -2.176
  412    HD3  ARG  49           3HD      ARG  49   5.879  -4.986  -1.832
  413    HE   ARG  49           HE       ARG  49   6.245  -6.020   0.631
  414   HH11  ARG  49          1HH1      ARG  49   8.397  -5.642  -2.114
  415   HH12  ARG  49          2HH1      ARG  49   9.805  -5.397  -1.120
  416   HH21  ARG  49          1HH2      ARG  49   8.091  -5.703   1.922
  417   HH22  ARG  49          2HH2      ARG  49   9.639  -5.442   1.152
  418    H    LEU  50           H        LEU  50   2.401  -7.336   2.029
  419    HA   LEU  50           HA       LEU  50   3.189 -10.040   1.572
  420    HB2  LEU  50           2HB      LEU  50   2.619  -8.354   3.910
  421    HB3  LEU  50           3HB      LEU  50   2.272 -10.062   4.126
  422    HG   LEU  50           HG       LEU  50   4.526  -9.575   4.880
  423   HD11  LEU  50          1HD1      LEU  50   5.741 -11.202   3.494
  424   HD12  LEU  50          2HD1      LEU  50   4.471 -11.094   2.274
  425   HD13  LEU  50          3HD1      LEU  50   4.106 -11.749   3.871
  426   HD21  LEU  50          3HD2      LEU  50   6.243  -8.775   3.363
  427   HD22  LEU  50          1HD2      LEU  50   4.934  -7.598   3.473
  428   HD23  LEU  50          2HD2      LEU  50   5.059  -8.648   2.060
  429    H    GLU  51           H        GLU  51   0.122  -8.409   1.996
  430    HA   GLU  51           HA       GLU  51  -1.577 -10.576   2.327
  431    HB2  GLU  51           2HB      GLU  51  -1.874  -8.040   0.726
  432    HB3  GLU  51           3HB      GLU  51  -3.161  -9.236   0.793
  433    HG2  GLU  51           2HG      GLU  51  -1.968  -7.869   3.195
  434    HG3  GLU  51           3HG      GLU  51  -3.450  -7.369   2.379
  435    H    PHE  52           H        PHE  52  -0.295  -9.220  -0.693
  436    HA   PHE  52           HA       PHE  52  -1.437 -11.356  -2.258
  437    HB2  PHE  52           2HB      PHE  52   0.406  -9.074  -2.983
  438    HB3  PHE  52           3HB      PHE  52  -0.194 -10.253  -4.148
  439    HD1  PHE  52           HD1      PHE  52  -2.700 -10.458  -4.456
  440    HD2  PHE  52           HD2      PHE  52  -0.874  -7.209  -2.401
  441    HE1  PHE  52           HE1      PHE  52  -4.737  -9.117  -4.773
  442    HE2  PHE  52           HE2      PHE  52  -2.909  -5.863  -2.714
  443    HZ   PHE  52           HZ       PHE  52  -4.844  -6.816  -3.901
  444    H    GLY  53           H        GLY  53   1.579 -10.679  -0.717
  445    HA2  GLY  53           2HA      GLY  53   3.211 -12.505  -2.119
  446    HA3  GLY  53           3HA      GLY  53   3.485 -11.931  -0.479
  447    H    GLN  54           H        GLN  54   1.065 -12.890   0.654
  448    HA   GLN  54           HA       GLN  54   1.792 -15.692   0.902
  449    HB2  GLN  54           2HB      GLN  54  -0.116 -13.968   2.486
  450    HB3  GLN  54           3HB      GLN  54   0.188 -15.668   2.816
  451    HG2  GLN  54           2HG      GLN  54   2.205 -13.434   2.948
  452    HG3  GLN  54           3HG      GLN  54   1.481 -14.282   4.314
  453   HE21  GLN  54          1HE2      GLN  54   2.096 -16.400   4.753
  454   HE22  GLN  54          2HE2      GLN  54   3.545 -17.090   4.096
  455    H    LEU  55           H        LEU  55  -0.843 -13.738  -0.328
  456    HA   LEU  55           HA       LEU  55  -2.623 -15.959  -0.693
  457    HB2  LEU  55           2HB      LEU  55  -2.612 -13.168  -1.831
  458    HB3  LEU  55           3HB      LEU  55  -3.849 -14.350  -2.209
  459    HG   LEU  55           HG       LEU  55  -3.252 -13.312   0.565
  460   HD11  LEU  55          1HD1      LEU  55  -4.174 -11.576  -0.876
  461   HD12  LEU  55          2HD1      LEU  55  -5.347 -12.085   0.337
  462   HD13  LEU  55          3HD1      LEU  55  -5.499 -12.645  -1.328
  463   HD21  LEU  55          3HD2      LEU  55  -4.170 -15.543   0.640
  464   HD22  LEU  55          1HD2      LEU  55  -5.441 -15.093  -0.499
  465   HD23  LEU  55          2HD2      LEU  55  -5.414 -14.385   1.114
  466    H    GLU  56           H        GLU  56  -1.195 -13.830  -3.159
  467    HA   GLU  56           HA       GLU  56  -0.593 -14.191  -5.321
  468    HB2  GLU  56           2HB      GLU  56   1.032 -15.660  -3.722
  469    HB3  GLU  56           3HB      GLU  56   0.372 -16.937  -4.729
  470    HG2  GLU  56           2HG      GLU  56   1.604 -14.470  -5.909
  471    HG3  GLU  56           3HG      GLU  56   2.573 -15.863  -5.440
  472    H    HIS  57           H        HIS  57  -0.457 -16.979  -6.482
  473    HA   HIS  57           HA       HIS  57  -1.765 -18.348  -7.727
  474    HB2  HIS  57           2HB      HIS  57  -2.197 -19.217  -5.425
  475    HB3  HIS  57           3HB      HIS  57  -3.619 -18.187  -5.339
  476    HD1  HIS  57           HD1      HIS  57  -5.722 -19.313  -5.931
  477    HD2  HIS  57           HD2      HIS  57  -2.434 -21.099  -7.747
  478    HE1  HIS  57           HE1      HIS  57  -6.632 -21.311  -7.172
  479    HE2  HIS  57           HE2      HIS  57  -4.604 -22.434  -8.180
  480    H    HIS  58           H        HIS  58  -2.020 -15.998  -8.790
  481    HA   HIS  58           HA       HIS  58  -4.604 -14.889  -8.886
  482    HB2  HIS  58           2HB      HIS  58  -3.912 -13.904 -11.063
  483    HB3  HIS  58           3HB      HIS  58  -2.736 -13.637  -9.782
  484    HD1  HIS  58           HD1      HIS  58  -3.016 -14.775 -13.200
  485    HD2  HIS  58           HD2      HIS  58  -0.439 -15.492 -10.016
  486    HE1  HIS  58           HE1      HIS  58  -0.949 -15.774 -14.213
  487    HE2  HIS  58           HE2      HIS  58   0.671 -16.004 -12.295
  488    H    HIS  59           H        HIS  59  -6.386 -15.955  -9.388
  489    HA   HIS  59           HA       HIS  59  -6.166 -18.214 -11.256
  490    HB2  HIS  59           2HB      HIS  59  -6.917 -18.810  -8.994
  491    HB3  HIS  59           3HB      HIS  59  -8.255 -17.675  -9.136
  492    HD1  HIS  59           HD1      HIS  59 -10.393 -18.613  -9.976
  493    HD2  HIS  59           HD2      HIS  59  -7.135 -21.001 -10.989
  494    HE1  HIS  59           HE1      HIS  59 -11.361 -20.664 -11.068
  495    HE2  HIS  59           HE2      HIS  59  -9.388 -22.158 -11.546
  496    H    HIS  60           H        HIS  60  -6.767 -17.763 -13.205
  497    HA   HIS  60           HA       HIS  60  -7.952 -17.083 -15.004
  498    HB2  HIS  60           2HB      HIS  60  -9.659 -18.474 -13.743
  499    HB3  HIS  60           3HB      HIS  60 -10.334 -16.963 -13.151
  500    HD1  HIS  60           HD1      HIS  60 -12.387 -16.445 -14.412
  501    HD2  HIS  60           HD2      HIS  60  -9.462 -18.126 -16.848
  502    HE1  HIS  60           HE1      HIS  60 -13.362 -16.468 -16.734
  503    HE2  HIS  60           HE2      HIS  60 -11.537 -17.390 -18.211
  504    H    HIS  61           H        HIS  61  -6.688 -15.008 -13.383
  505    HA   HIS  61           HA       HIS  61  -8.439 -12.722 -13.506
  506    HB2  HIS  61           2HB      HIS  61  -6.447 -12.940 -11.936
  507    HB3  HIS  61           3HB      HIS  61  -5.417 -12.670 -13.339
  508    HD1  HIS  61           HD1      HIS  61  -4.833 -10.285 -13.781
  509    HD2  HIS  61           HD2      HIS  61  -8.314 -10.668 -11.526
  510    HE1  HIS  61           HE1      HIS  61  -5.516  -7.942 -13.174
  511    HE2  HIS  61           HE2      HIS  61  -7.608  -8.191 -11.785
  512    H    HIS  62           H        HIS  62  -6.116 -14.313 -15.507
  513    HA   HIS  62           HA       HIS  62  -6.704 -12.447 -17.700
  514    HB2  HIS  62           2HB      HIS  62  -4.325 -12.531 -17.292
  515    HB3  HIS  62           3HB      HIS  62  -4.345 -14.290 -17.253
  516    HD1  HIS  62           HD1      HIS  62  -4.920 -11.466 -19.741
  517    HD2  HIS  62           HD2      HIS  62  -3.795 -15.471 -19.639
  518    HE1  HIS  62           HE1      HIS  62  -4.243 -12.045 -22.093
  519    HE2  HIS  62           HE2      HIS  62  -3.348 -14.397 -21.951
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1 -11.313   9.095  -6.105
    2    H2   MET   1           2H       MET   1  -9.762   9.706  -5.797
    3    H3   MET   1           3H       MET   1 -10.398   8.482  -4.814
    4    HA   MET   1           HA       MET   1 -10.460   6.995  -6.756
    5    HB2  MET   1           2HB      MET   1  -8.886   9.255  -8.010
    6    HB3  MET   1           3HB      MET   1  -9.073   7.651  -8.706
    7    HG2  MET   1           2HG      MET   1 -11.485   7.998  -8.864
    8    HG3  MET   1           3HG      MET   1 -11.299   9.609  -8.169
    9    HE1  MET   1           3HE      MET   1 -12.816   9.076 -10.903
   10    HE2  MET   1           1HE      MET   1 -12.181  10.384 -11.904
   11    HE3  MET   1           2HE      MET   1 -12.597  10.686 -10.216
   12    H    ASN   2           H        ASN   2  -8.241   8.935  -4.989
   13    HA   ASN   2           HA       ASN   2  -6.623   6.588  -4.455
   14    HB2  ASN   2           2HB      ASN   2  -4.492   7.680  -4.943
   15    HB3  ASN   2           3HB      ASN   2  -5.481   7.635  -6.397
   16   HD21  ASN   2          1HD2      ASN   2  -4.015   9.646  -3.985
   17   HD22  ASN   2          2HD2      ASN   2  -4.348  11.158  -4.760
   18    H    LEU   3           H        LEU   3  -4.931   7.168  -2.735
   19    HA   LEU   3           HA       LEU   3  -6.036   9.245  -0.950
   20    HB2  LEU   3           2HB      LEU   3  -4.664   6.646  -0.270
   21    HB3  LEU   3           3HB      LEU   3  -4.980   7.910   0.905
   22    HG   LEU   3           HG       LEU   3  -7.042   6.324  -0.625
   23   HD11  LEU   3          1HD1      LEU   3  -5.990   5.105   1.203
   24   HD12  LEU   3          2HD1      LEU   3  -7.666   5.496   1.583
   25   HD13  LEU   3          3HD1      LEU   3  -6.358   6.428   2.311
   26   HD21  LEU   3          3HD2      LEU   3  -7.761   8.644  -0.339
   27   HD22  LEU   3          1HD2      LEU   3  -7.439   8.534   1.393
   28   HD23  LEU   3          2HD2      LEU   3  -8.707   7.547   0.667
   29    H    ARG   4           H        ARG   4  -4.142   9.718   0.792
   30    HA   ARG   4           HA       ARG   4  -2.055  10.918  -0.841
   31    HB2  ARG   4           2HB      ARG   4  -2.570  11.208   2.124
   32    HB3  ARG   4           3HB      ARG   4  -1.507  12.208   1.141
   33    HG2  ARG   4           2HG      ARG   4  -3.429  13.021  -0.124
   34    HG3  ARG   4           3HG      ARG   4  -4.498  12.015   0.858
   35    HD2  ARG   4           2HD      ARG   4  -3.701  13.235   2.865
   36    HD3  ARG   4           3HD      ARG   4  -2.786  14.305   1.802
   37    HE   ARG   4           HE       ARG   4  -5.632  14.088   1.244
   38   HH11  ARG   4          1HH1      ARG   4  -3.022  15.894   2.729
   39   HH12  ARG   4          2HH1      ARG   4  -3.972  17.339   2.943
   40   HH21  ARG   4          1HH2      ARG   4  -6.894  15.960   1.559
   41   HH22  ARG   4          2HH2      ARG   4  -6.199  17.359   2.316
   42    H    TRP   5           H        TRP   5   0.026  10.306  -0.860
   43    HA   TRP   5           HA       TRP   5   0.672   7.930   0.751
   44    HB2  TRP   5           2HB      TRP   5   1.634   8.776  -1.985
   45    HB3  TRP   5           3HB      TRP   5   2.385   7.477  -1.062
   46    HD1  TRP   5           HD1      TRP   5  -1.204   8.334  -2.324
   47    HE1  TRP   5           HE1      TRP   5  -2.339   6.128  -3.028
   48    HE3  TRP   5           HE3      TRP   5   2.548   5.084  -1.114
   49    HZ2  TRP   5           HZ2      TRP   5  -1.710   3.377  -3.066
   50    HZ3  TRP   5           HZ3      TRP   5   2.200   2.680  -1.509
   51    HH2  TRP   5           HH2      TRP   5   0.114   1.847  -2.464
   52    H    THR   6           H        THR   6   2.296   8.016   2.154
   53    HA   THR   6           HA       THR   6   3.796  10.401   2.569
   54    HB   THR   6           HB       THR   6   5.109   8.952   4.184
   55    HG1  THR   6           HG1      THR   6   3.125   6.989   3.938
   56   HG21  THR   6          3HG2      THR   6   2.102   8.908   4.486
   57   HG22  THR   6          1HG2      THR   6   3.154  10.264   4.897
   58   HG23  THR   6          2HG2      THR   6   3.282   8.747   5.788
   59    H    SER   7           H        SER   7   6.161  10.527   2.485
   60    HA   SER   7           HA       SER   7   7.232   9.865   0.006
   61    HB2  SER   7           2HB      SER   7   8.818  10.320   2.544
   62    HB3  SER   7           3HB      SER   7   9.343  10.628   0.887
   63    HG   SER   7           HG       SER   7   7.979  12.345   0.757
   64    H    GLU   8           H        GLU   8   7.474   8.225   3.109
   65    HA   GLU   8           HA       GLU   8   9.250   6.184   2.326
   66    HB2  GLU   8           2HB      GLU   8   7.109   5.987   4.449
   67    HB3  GLU   8           3HB      GLU   8   8.575   5.029   4.337
   68    HG2  GLU   8           2HG      GLU   8   9.009   6.566   6.027
   69    HG3  GLU   8           3HG      GLU   8   9.832   7.229   4.617
   70    H    ALA   9           H        ALA   9   5.704   6.334   2.434
   71    HA   ALA   9           HA       ALA   9   5.178   3.687   1.689
   72    HB1  ALA   9           3HB      ALA   9   2.949   4.440   1.112
   73    HB2  ALA   9           1HB      ALA   9   3.497   6.117   1.086
   74    HB3  ALA   9           2HB      ALA   9   3.484   5.217   2.605
   75    H    LYS  10           H        LYS  10   5.636   6.592  -0.276
   76    HA   LYS  10           HA       LYS  10   5.136   5.529  -2.792
   77    HB2  LYS  10           2HB      LYS  10   7.135   7.627  -1.934
   78    HB3  LYS  10           3HB      LYS  10   6.736   7.287  -3.612
   79    HG2  LYS  10           2HG      LYS  10   4.472   7.984  -3.289
   80    HG3  LYS  10           3HG      LYS  10   4.715   8.130  -1.548
   81    HD2  LYS  10           2HD      LYS  10   6.289   9.950  -1.896
   82    HD3  LYS  10           3HD      LYS  10   6.134   9.772  -3.645
   83    HE2  LYS  10           2HE      LYS  10   3.834  10.432  -1.810
   84    HE3  LYS  10           3HE      LYS  10   4.794  11.645  -2.658
   85    HZ1  LYS  10           3HZ      LYS  10   4.102  10.744  -4.752
   86    HZ2  LYS  10           1HZ      LYS  10   2.719  11.052  -3.822
   87    HZ3  LYS  10           2HZ      LYS  10   3.283   9.462  -4.000
   88    H    THR  11           H        THR  11   8.215   5.607  -0.995
   89    HA   THR  11           HA       THR  11   9.771   4.239  -2.886
   90    HB   THR  11           HB       THR  11  10.105   4.107   0.118
   91    HG1  THR  11           HG1      THR  11  11.198   6.039  -0.041
   92   HG21  THR  11          3HG2      THR  11  11.543   2.569  -1.114
   93   HG22  THR  11          1HG2      THR  11  12.494   3.885  -0.431
   94   HG23  THR  11          2HG2      THR  11  12.093   3.887  -2.149
   95    H    LYS  12           H        LYS  12   7.832   3.040  -0.174
   96    HA   LYS  12           HA       LYS  12   8.586   0.327  -0.433
   97    HB2  LYS  12           2HB      LYS  12   6.186   1.621   0.866
   98    HB3  LYS  12           3HB      LYS  12   6.551  -0.097   0.986
   99    HG2  LYS  12           2HG      LYS  12   8.506   2.026   1.817
  100    HG3  LYS  12           3HG      LYS  12   7.289   1.367   2.911
  101    HD2  LYS  12           2HD      LYS  12   9.082  -0.482   1.401
  102    HD3  LYS  12           3HD      LYS  12   9.681   0.332   2.850
  103    HE2  LYS  12           2HE      LYS  12   7.051  -0.810   3.263
  104    HE3  LYS  12           3HE      LYS  12   8.216  -2.031   2.746
  105    HZ1  LYS  12           3HZ      LYS  12   9.683  -1.299   4.548
  106    HZ2  LYS  12           1HZ      LYS  12   8.192  -1.851   5.136
  107    HZ3  LYS  12           2HZ      LYS  12   8.505  -0.189   5.063
  108    H    LEU  13           H        LEU  13   6.025   2.243  -1.899
  109    HA   LEU  13           HA       LEU  13   4.564   0.104  -3.024
  110    HB2  LEU  13           2HB      LEU  13   3.695   2.399  -2.882
  111    HB3  LEU  13           3HB      LEU  13   4.900   2.936  -4.034
  112    HG   LEU  13           HG       LEU  13   3.866   1.498  -5.763
  113   HD11  LEU  13          1HD1      LEU  13   2.896  -0.200  -4.309
  114   HD12  LEU  13          2HD1      LEU  13   1.668   0.515  -5.354
  115   HD13  LEU  13          3HD1      LEU  13   1.769   0.987  -3.659
  116   HD21  LEU  13          3HD2      LEU  13   3.229   3.849  -5.560
  117   HD22  LEU  13          1HD2      LEU  13   1.951   3.406  -4.425
  118   HD23  LEU  13          2HD2      LEU  13   1.873   2.862  -6.101
  119    H    LYS  14           H        LYS  14   7.417   1.861  -4.059
  120    HA   LYS  14           HA       LYS  14   7.516   0.795  -6.693
  121    HB2  LYS  14           2HB      LYS  14   9.749   1.933  -5.003
  122    HB3  LYS  14           3HB      LYS  14   9.792   1.698  -6.746
  123    HG2  LYS  14           2HG      LYS  14   8.042   3.323  -7.053
  124    HG3  LYS  14           3HG      LYS  14   7.856   3.497  -5.308
  125    HD2  LYS  14           2HD      LYS  14  10.192   4.315  -5.190
  126    HD3  LYS  14           3HD      LYS  14  10.270   4.244  -6.953
  127    HE2  LYS  14           2HE      LYS  14   8.431   5.836  -7.108
  128    HE3  LYS  14           3HE      LYS  14   8.311   5.884  -5.351
  129    HZ1  LYS  14           3HZ      LYS  14   9.518   7.780  -6.124
  130    HZ2  LYS  14           1HZ      LYS  14  10.603   6.809  -6.997
  131    HZ3  LYS  14           2HZ      LYS  14  10.593   6.762  -5.302
  132    H    ASN  15           H        ASN  15   8.246  -0.549  -3.647
  133    HA   ASN  15           HA       ASN  15  10.202  -2.451  -4.607
  134    HB2  ASN  15           2HB      ASN  15   8.687  -2.371  -1.986
  135    HB3  ASN  15           3HB      ASN  15  10.044  -3.429  -2.351
  136   HD21  ASN  15          1HD2      ASN  15   9.814  -1.519  -0.231
  137   HD22  ASN  15          2HD2      ASN  15  11.087  -0.367  -0.436
  138    H    ILE  16           H        ILE  16   6.838  -2.167  -4.588
  139    HA   ILE  16           HA       ILE  16   6.248  -4.994  -4.536
  140    HB   ILE  16           HB       ILE  16   4.474  -2.666  -5.322
  141   HG12  ILE  16          2HG1      ILE  16   4.734  -4.083  -2.660
  142   HG13  ILE  16          3HG1      ILE  16   5.333  -2.467  -3.016
  143   HG21  ILE  16          1HG2      ILE  16   3.773  -5.497  -4.558
  144   HG22  ILE  16          2HG2      ILE  16   3.636  -4.782  -6.163
  145   HG23  ILE  16          3HG2      ILE  16   2.618  -4.197  -4.849
  146   HD11  ILE  16          3HD1      ILE  16   3.064  -1.690  -3.378
  147   HD12  ILE  16          1HD1      ILE  16   3.233  -2.417  -1.779
  148   HD13  ILE  16          2HD1      ILE  16   2.447  -3.315  -3.078
  149    HA   PRO  17           HA       PRO  17   7.114  -5.799  -8.861
  150    HB2  PRO  17           2HB      PRO  17   4.823  -7.673  -8.544
  151    HB3  PRO  17           3HB      PRO  17   6.443  -7.981  -9.176
  152    HG2  PRO  17           2HG      PRO  17   5.741  -8.817  -6.741
  153    HG3  PRO  17           3HG      PRO  17   7.371  -8.197  -7.066
  154    HD2  PRO  17           2HD      PRO  17   5.088  -6.894  -5.660
  155    HD3  PRO  17           3HD      PRO  17   6.830  -6.765  -5.348
  156    H    PHE  18           H        PHE  18   6.388  -4.734 -10.601
  157    HA   PHE  18           HA       PHE  18   4.269  -2.965 -10.528
  158    HB2  PHE  18           2HB      PHE  18   6.064  -2.728 -12.131
  159    HB3  PHE  18           3HB      PHE  18   5.586  -4.216 -12.944
  160    HD1  PHE  18           HD1      PHE  18   4.536  -0.749 -12.205
  161    HD2  PHE  18           HD2      PHE  18   3.916  -4.209 -14.604
  162    HE1  PHE  18           HE1      PHE  18   3.045   0.543 -13.677
  163    HE2  PHE  18           HE2      PHE  18   2.426  -2.927 -16.076
  164    HZ   PHE  18           HZ       PHE  18   1.987  -0.548 -15.616
  165    H    PHE  19           H        PHE  19   4.273  -6.285 -11.700
  166    HA   PHE  19           HA       PHE  19   1.833  -6.305 -13.048
  167    HB2  PHE  19           2HB      PHE  19   3.059  -8.564 -11.448
  168    HB3  PHE  19           3HB      PHE  19   1.834  -8.733 -12.699
  169    HD1  PHE  19           HD2      PHE  19   2.436  -8.117 -15.072
  170    HD2  PHE  19           HD1      PHE  19   5.340  -8.524 -11.985
  171    HE1  PHE  19           HE2      PHE  19   4.202  -8.357 -16.768
  172    HE2  PHE  19           HE1      PHE  19   7.111  -8.766 -13.677
  173    HZ   PHE  19           HZ       PHE  19   6.543  -8.681 -16.072
  174    H    ALA  20           H        ALA  20   2.518  -6.287  -9.645
  175    HA   ALA  20           HA       ALA  20  -0.341  -6.728  -9.083
  176    HB1  ALA  20           3HB      ALA  20   1.088  -8.546  -8.243
  177    HB2  ALA  20           1HB      ALA  20   0.281  -7.668  -6.942
  178    HB3  ALA  20           2HB      ALA  20   1.987  -7.372  -7.280
  179    H    ARG  21           H        ARG  21   1.686  -4.274  -9.416
  180    HA   ARG  21           HA       ARG  21   1.605  -2.970  -6.906
  181    HB2  ARG  21           2HB      ARG  21   2.248  -2.107  -9.681
  182    HB3  ARG  21           3HB      ARG  21   1.906  -0.862  -8.485
  183    HG2  ARG  21           2HG      ARG  21   3.643  -2.415  -7.115
  184    HG3  ARG  21           3HG      ARG  21   4.230  -2.628  -8.766
  185    HD2  ARG  21           2HD      ARG  21   3.707   0.046  -7.476
  186    HD3  ARG  21           3HD      ARG  21   5.286  -0.733  -7.527
  187    HE   ARG  21           HE       ARG  21   5.183  -0.537  -9.968
  188   HH11  ARG  21          1HH1      ARG  21   2.977   1.438  -8.096
  189   HH12  ARG  21          2HH1      ARG  21   2.856   2.678  -9.299
  190   HH21  ARG  21          1HH2      ARG  21   5.055   1.109 -11.538
  191   HH22  ARG  21          2HH2      ARG  21   4.051   2.501 -11.256
  192    H    SER  22           H        SER  22  -0.438  -2.641  -9.792
  193    HA   SER  22           HA       SER  22  -2.138  -0.660  -8.777
  194    HB2  SER  22           2HB      SER  22  -2.941  -2.871 -10.675
  195    HB3  SER  22           3HB      SER  22  -3.598  -1.235 -10.582
  196    HG   SER  22           HG       SER  22  -2.114  -0.688 -11.948
  197    H    GLN  23           H        GLN  23  -2.249  -4.172  -8.599
  198    HA   GLN  23           HA       GLN  23  -4.744  -4.404  -7.295
  199    HB2  GLN  23           2HB      GLN  23  -3.678  -6.258  -8.492
  200    HB3  GLN  23           3HB      GLN  23  -2.363  -6.269  -7.326
  201    HG2  GLN  23           2HG      GLN  23  -3.864  -6.968  -5.579
  202    HG3  GLN  23           3HG      GLN  23  -5.241  -6.849  -6.674
  203   HE21  GLN  23          1HE2      GLN  23  -2.391  -8.645  -5.844
  204   HE22  GLN  23          2HE2      GLN  23  -2.777 -10.064  -6.750
  205    H    ALA  24           H        ALA  24  -1.405  -4.412  -6.065
  206    HA   ALA  24           HA       ALA  24  -2.058  -4.716  -3.350
  207    HB1  ALA  24           3HB      ALA  24   0.195  -5.101  -4.228
  208    HB2  ALA  24           1HB      ALA  24   0.203  -3.965  -2.878
  209    HB3  ALA  24           2HB      ALA  24   0.367  -3.371  -4.531
  210    H    LYS  25           H        LYS  25  -1.396  -1.805  -5.274
  211    HA   LYS  25           HA       LYS  25  -1.653   0.103  -3.270
  212    HB2  LYS  25           2HB      LYS  25  -0.815   0.711  -5.439
  213    HB3  LYS  25           3HB      LYS  25  -2.319   0.235  -6.212
  214    HG2  LYS  25           2HG      LYS  25  -3.482   2.056  -5.108
  215    HG3  LYS  25           3HG      LYS  25  -1.991   2.525  -4.291
  216    HD2  LYS  25           2HD      LYS  25  -0.951   3.069  -6.391
  217    HD3  LYS  25           3HD      LYS  25  -2.331   2.430  -7.286
  218    HE2  LYS  25           2HE      LYS  25  -2.379   4.808  -5.429
  219    HE3  LYS  25           3HE      LYS  25  -2.366   4.875  -7.191
  220    HZ1  LYS  25           3HZ      LYS  25  -4.535   4.025  -5.380
  221    HZ2  LYS  25           1HZ      LYS  25  -4.468   3.406  -6.961
  222    HZ3  LYS  25           2HZ      LYS  25  -4.591   5.073  -6.714
  223    H    ALA  26           H        ALA  26  -4.127  -1.442  -5.256
  224    HA   ALA  26           HA       ALA  26  -6.351   0.030  -4.469
  225    HB1  ALA  26           3HB      ALA  26  -7.679  -1.907  -5.111
  226    HB2  ALA  26           1HB      ALA  26  -6.237  -2.922  -5.088
  227    HB3  ALA  26           2HB      ALA  26  -6.386  -1.630  -6.279
  228    H    ARG  27           H        ARG  27  -4.892  -2.853  -2.964
  229    HA   ARG  27           HA       ARG  27  -6.790  -2.872  -0.821
  230    HB2  ARG  27           2HB      ARG  27  -5.619  -4.924  -1.504
  231    HB3  ARG  27           3HB      ARG  27  -4.094  -4.228  -0.973
  232    HG2  ARG  27           2HG      ARG  27  -4.717  -4.300   1.290
  233    HG3  ARG  27           3HG      ARG  27  -6.417  -4.567   0.895
  234    HD2  ARG  27           2HD      ARG  27  -4.160  -6.504   0.389
  235    HD3  ARG  27           3HD      ARG  27  -5.344  -6.616   1.694
  236    HE   ARG  27           HE       ARG  27  -6.302  -6.569  -1.077
  237   HH11  ARG  27          1HH1      ARG  27  -5.793  -8.336   1.910
  238   HH12  ARG  27          2HH1      ARG  27  -6.849  -9.644   1.449
  239   HH21  ARG  27          1HH2      ARG  27  -7.630  -8.302  -1.701
  240   HH22  ARG  27          2HH2      ARG  27  -7.868  -9.643  -0.618
  241    H    ILE  28           H        ILE  28  -3.511  -1.589  -1.204
  242    HA   ILE  28           HA       ILE  28  -2.951  -0.934   1.441
  243    HB   ILE  28           HB       ILE  28  -2.211   0.657  -1.024
  244   HG12  ILE  28          2HG1      ILE  28  -0.590  -1.404   0.480
  245   HG13  ILE  28          3HG1      ILE  28  -1.506  -1.760  -0.980
  246   HG21  ILE  28          1HG2      ILE  28  -0.347   1.503   0.359
  247   HG22  ILE  28          2HG2      ILE  28  -1.050   0.693   1.760
  248   HG23  ILE  28          3HG2      ILE  28  -1.927   2.002   0.965
  249   HD11  ILE  28          3HD1      ILE  28   0.780   0.186  -0.753
  250   HD12  ILE  28          1HD1      ILE  28  -0.137  -0.160  -2.221
  251   HD13  ILE  28          2HD1      ILE  28   0.842  -1.424  -1.475
  252    H    GLU  29           H        GLU  29  -4.637   1.018  -1.006
  253    HA   GLU  29           HA       GLU  29  -5.089   3.180   0.792
  254    HB2  GLU  29           2HB      GLU  29  -6.391   2.553  -1.865
  255    HB3  GLU  29           3HB      GLU  29  -6.531   4.079  -0.998
  256    HG2  GLU  29           2HG      GLU  29  -4.101   4.387  -1.164
  257    HG3  GLU  29           3HG      GLU  29  -3.981   2.879  -2.064
  258    H    GLN  30           H        GLN  30  -6.917   0.302  -0.087
  259    HA   GLN  30           HA       GLN  30  -9.304   1.047   1.260
  260    HB2  GLN  30           2HB      GLN  30  -8.152  -1.627   0.496
  261    HB3  GLN  30           3HB      GLN  30  -9.673  -1.480   1.364
  262    HG2  GLN  30           2HG      GLN  30 -10.594  -0.152  -0.462
  263    HG3  GLN  30           3HG      GLN  30  -9.068  -0.290  -1.333
  264   HE21  GLN  30          1HE2      GLN  30  -8.511  -2.236  -2.274
  265   HE22  GLN  30          2HE2      GLN  30  -9.660  -3.509  -2.530
  266    H    LEU  31           H        LEU  31  -6.350  -0.584   2.299
  267    HA   LEU  31           HA       LEU  31  -7.150  -1.260   4.907
  268    HB2  LEU  31           2HB      LEU  31  -4.406  -0.513   3.886
  269    HB3  LEU  31           3HB      LEU  31  -4.728  -1.272   5.433
  270    HG   LEU  31           HG       LEU  31  -5.374  -2.528   2.766
  271   HD11  LEU  31          1HD1      LEU  31  -3.424  -3.947   3.171
  272   HD12  LEU  31          2HD1      LEU  31  -3.025  -2.988   4.595
  273   HD13  LEU  31          3HD1      LEU  31  -2.978  -2.251   2.993
  274   HD21  LEU  31          3HD2      LEU  31  -6.762  -3.379   4.553
  275   HD22  LEU  31          1HD2      LEU  31  -5.343  -3.630   5.572
  276   HD23  LEU  31          2HD2      LEU  31  -5.556  -4.588   4.109
  277    H    ALA  32           H        ALA  32  -5.802   1.701   3.542
  278    HA   ALA  32           HA       ALA  32  -5.510   3.080   5.996
  279    HB1  ALA  32           3HB      ALA  32  -4.367   3.790   3.967
  280    HB2  ALA  32           1HB      ALA  32  -5.352   5.097   4.626
  281    HB3  ALA  32           2HB      ALA  32  -5.916   4.188   3.222
  282    H    ARG  33           H        ARG  33  -8.193   2.666   3.767
  283    HA   ARG  33           HA       ARG  33  -9.962   4.524   4.976
  284    HB2  ARG  33           2HB      ARG  33 -10.544   1.993   3.427
  285    HB3  ARG  33           3HB      ARG  33 -11.760   3.170   3.895
  286    HG2  ARG  33           2HG      ARG  33  -9.409   3.761   2.110
  287    HG3  ARG  33           3HG      ARG  33 -11.030   3.361   1.543
  288    HD2  ARG  33           2HD      ARG  33 -10.945   5.697   1.474
  289    HD3  ARG  33           3HD      ARG  33 -11.825   5.332   2.955
  290    HE   ARG  33           HE       ARG  33  -9.113   5.588   3.586
  291   HH11  ARG  33          1HH1      ARG  33 -11.816   7.557   2.539
  292   HH12  ARG  33          2HH1      ARG  33 -11.145   9.026   3.182
  293   HH21  ARG  33          1HH2      ARG  33  -8.232   7.525   4.423
  294   HH22  ARG  33          2HH2      ARG  33  -9.116   9.017   4.227
  295    H    GLN  34           H        GLN  34  -9.099   1.201   5.619
  296    HA   GLN  34           HA       GLN  34 -11.126   0.614   7.497
  297    HB2  GLN  34           2HB      GLN  34  -9.600  -1.022   6.302
  298    HB3  GLN  34           3HB      GLN  34  -8.330  -0.546   7.418
  299    HG2  GLN  34           2HG      GLN  34 -10.950  -1.573   8.423
  300    HG3  GLN  34           3HG      GLN  34  -9.695  -2.678   7.879
  301   HE21  GLN  34          1HE2      GLN  34  -7.505  -1.042   8.823
  302   HE22  GLN  34          2HE2      GLN  34  -7.496  -1.185  10.551
  303    H    ALA  35           H        ALA  35  -7.978   2.129   7.723
  304    HA   ALA  35           HA       ALA  35  -8.136   2.409  10.608
  305    HB1  ALA  35           3HB      ALA  35  -5.976   1.958   9.585
  306    HB2  ALA  35           1HB      ALA  35  -5.962   3.529  10.387
  307    HB3  ALA  35           2HB      ALA  35  -6.099   3.437   8.630
  308    H    GLU  36           H        GLU  36  -9.357   4.000   7.962
  309    HA   GLU  36           HA       GLU  36 -10.478   5.919   7.633
  310    HB2  GLU  36           2HB      GLU  36 -10.324   6.048  10.634
  311    HB3  GLU  36           3HB      GLU  36 -11.189   7.237   9.669
  312    HG2  GLU  36           2HG      GLU  36 -12.482   5.291   8.691
  313    HG3  GLU  36           3HG      GLU  36 -11.771   4.309   9.971
  314    H    GLN  37           H        GLN  37  -7.554   5.879   7.584
  315    HA   GLN  37           HA       GLN  37  -7.074   8.747   8.049
  316    HB2  GLN  37           2HB      GLN  37  -4.653   8.186   7.937
  317    HB3  GLN  37           3HB      GLN  37  -5.486   7.402   9.270
  318    HG2  GLN  37           2HG      GLN  37  -5.613   5.334   7.915
  319    HG3  GLN  37           3HG      GLN  37  -4.660   6.137   6.668
  320   HE21  GLN  37          1HE2      GLN  37  -2.967   4.670   6.849
  321   HE22  GLN  37          2HE2      GLN  37  -1.899   4.655   8.206
  322    H    ASP  38           H        ASP  38  -6.287  10.019   6.351
  323    HA   ASP  38           HA       ASP  38  -6.927   8.955   3.713
  324    HB2  ASP  38           2HB      ASP  38  -6.207  11.760   4.592
  325    HB3  ASP  38           3HB      ASP  38  -6.634  11.311   2.946
  326    H    ILE  39           H        ILE  39  -4.271   9.216   5.652
  327    HA   ILE  39           HA       ILE  39  -2.405   9.410   3.385
  328    HB   ILE  39           HB       ILE  39  -1.873   9.920   6.319
  329   HG12  ILE  39          2HG1      ILE  39  -1.982  11.923   4.058
  330   HG13  ILE  39          3HG1      ILE  39  -3.341  11.600   5.131
  331   HG21  ILE  39          1HG2      ILE  39   0.097   9.093   5.174
  332   HG22  ILE  39          2HG2      ILE  39   0.283  10.811   5.531
  333   HG23  ILE  39          3HG2      ILE  39  -0.117  10.288   3.895
  334   HD11  ILE  39          3HD1      ILE  39  -2.126  13.588   5.802
  335   HD12  ILE  39          1HD1      ILE  39  -0.646  12.642   5.965
  336   HD13  ILE  39          2HD1      ILE  39  -2.015  12.330   7.035
  337    H    VAL  40           H        VAL  40  -1.276   7.625   2.882
  338    HA   VAL  40           HA       VAL  40  -1.598   5.291   4.615
  339    HB   VAL  40           HB       VAL  40  -0.836   3.942   2.761
  340   HG11  VAL  40          1HG1      VAL  40  -3.181   4.541   2.776
  341   HG12  VAL  40          2HG1      VAL  40  -2.591   4.434   1.115
  342   HG13  VAL  40          3HG1      VAL  40  -2.834   6.013   1.866
  343   HG21  VAL  40          3HG2      VAL  40  -0.256   4.921   0.586
  344   HG22  VAL  40          1HG2      VAL  40   0.874   5.407   1.853
  345   HG23  VAL  40          2HG2      VAL  40  -0.364   6.533   1.292
  346    H    THR  41           H        THR  41   0.075   4.171   5.503
  347    HA   THR  41           HA       THR  41   2.691   5.496   5.448
  348    HB   THR  41           HB       THR  41   3.120   4.113   7.521
  349    HG1  THR  41           HG1      THR  41   1.326   3.150   8.505
  350   HG21  THR  41          3HG2      THR  41   2.470   6.476   7.646
  351   HG22  THR  41          1HG2      THR  41   1.781   5.556   8.985
  352   HG23  THR  41          2HG2      THR  41   0.769   6.012   7.612
  353    HA   PRO  42           HA       PRO  42   4.707   2.254   3.285
  354    HB2  PRO  42           2HB      PRO  42   6.865   1.682   4.908
  355    HB3  PRO  42           3HB      PRO  42   6.784   3.059   3.803
  356    HG2  PRO  42           2HG      PRO  42   6.235   2.952   6.743
  357    HG3  PRO  42           3HG      PRO  42   7.141   4.165   5.816
  358    HD2  PRO  42           2HD      PRO  42   4.636   4.643   6.592
  359    HD3  PRO  42           3HD      PRO  42   5.203   5.156   4.988
  360    H    GLU  43           H        GLU  43   3.894   1.742   6.616
  361    HA   GLU  43           HA       GLU  43   4.372  -1.022   6.832
  362    HB2  GLU  43           2HB      GLU  43   2.233   0.610   8.212
  363    HB3  GLU  43           3HB      GLU  43   2.898  -0.924   8.760
  364    HG2  GLU  43           2HG      GLU  43   5.026   0.077   9.183
  365    HG3  GLU  43           3HG      GLU  43   4.508   1.595   8.450
  366    H    LEU  44           H        LEU  44   1.416   0.800   6.082
  367    HA   LEU  44           HA       LEU  44  -0.238  -1.436   5.619
  368    HB2  LEU  44           2HB      LEU  44  -0.380   1.469   4.917
  369    HB3  LEU  44           3HB      LEU  44  -1.519   0.364   4.177
  370    HG   LEU  44           HG       LEU  44  -2.314  -0.308   6.410
  371   HD11  LEU  44          1HD1      LEU  44  -0.457   1.838   7.424
  372   HD12  LEU  44          2HD1      LEU  44  -0.284   0.104   7.690
  373   HD13  LEU  44          3HD1      LEU  44  -1.656   0.969   8.383
  374   HD21  LEU  44          3HD2      LEU  44  -3.451   1.472   5.209
  375   HD22  LEU  44          1HD2      LEU  44  -2.352   2.663   5.903
  376   HD23  LEU  44          2HD2      LEU  44  -3.468   1.782   6.945
  377    H    VAL  45           H        VAL  45   1.876   0.431   3.556
  378    HA   VAL  45           HA       VAL  45   1.118  -0.562   1.059
  379    HB   VAL  45           HB       VAL  45   3.856   0.302   2.011
  380   HG11  VAL  45          1HG1      VAL  45   4.018  -1.046  -0.021
  381   HG12  VAL  45          2HG1      VAL  45   4.400   0.646  -0.340
  382   HG13  VAL  45          3HG1      VAL  45   2.829  -0.007  -0.810
  383   HG21  VAL  45          3HG2      VAL  45   2.157   2.026   2.249
  384   HG22  VAL  45          1HG2      VAL  45   1.688   1.816   0.563
  385   HG23  VAL  45          2HG2      VAL  45   3.290   2.438   0.960
  386    H    GLU  46           H        GLU  46   3.667  -1.720   3.257
  387    HA   GLU  46           HA       GLU  46   4.275  -3.966   1.597
  388    HB2  GLU  46           2HB      GLU  46   5.887  -2.811   3.149
  389    HB3  GLU  46           3HB      GLU  46   5.030  -3.561   4.489
  390    HG2  GLU  46           2HG      GLU  46   5.639  -5.748   3.732
  391    HG3  GLU  46           3HG      GLU  46   6.329  -5.090   2.247
  392    H    GLN  47           H        GLN  47   2.267  -3.394   4.413
  393    HA   GLN  47           HA       GLN  47   1.658  -5.980   5.196
  394    HB2  GLN  47           2HB      GLN  47   0.887  -4.043   6.439
  395    HB3  GLN  47           3HB      GLN  47  -0.110  -3.523   5.090
  396    HG2  GLN  47           2HG      GLN  47  -1.479  -4.492   6.819
  397    HG3  GLN  47           3HG      GLN  47  -1.519  -5.508   5.380
  398   HE21  GLN  47          1HE2      GLN  47  -0.631  -7.527   5.435
  399   HE22  GLN  47          2HE2      GLN  47  -0.128  -8.299   6.901
  400    H    ALA  48           H        ALA  48  -0.010  -4.000   2.740
  401    HA   ALA  48           HA       ALA  48  -1.777  -6.047   1.906
  402    HB1  ALA  48           3HB      ALA  48  -2.205  -3.694   1.440
  403    HB2  ALA  48           1HB      ALA  48  -2.181  -4.637  -0.051
  404    HB3  ALA  48           2HB      ALA  48  -0.793  -3.638   0.384
  405    H    ARG  49           H        ARG  49   1.501  -5.227   1.077
  406    HA   ARG  49           HA       ARG  49   1.625  -6.690  -1.361
  407    HB2  ARG  49           2HB      ARG  49   3.177  -4.831  -0.684
  408    HB3  ARG  49           3HB      ARG  49   3.897  -5.922   0.485
  409    HG2  ARG  49           2HG      ARG  49   3.804  -6.626  -2.418
  410    HG3  ARG  49           3HG      ARG  49   5.061  -5.573  -1.774
  411    HD2  ARG  49           2HD      ARG  49   5.645  -7.354  -0.147
  412    HD3  ARG  49           3HD      ARG  49   4.462  -8.405  -0.925
  413    HE   ARG  49           HE       ARG  49   6.926  -7.383  -2.192
  414   HH11  ARG  49          1HH1      ARG  49   4.335  -9.734  -1.969
  415   HH12  ARG  49          2HH1      ARG  49   5.034 -10.820  -3.129
  416   HH21  ARG  49          1HH2      ARG  49   7.860  -8.792  -3.720
  417   HH22  ARG  49          2HH2      ARG  49   7.072 -10.299  -4.104
  418    H    LEU  50           H        LEU  50   2.343  -7.407   2.013
  419    HA   LEU  50           HA       LEU  50   3.360 -10.022   1.569
  420    HB2  LEU  50           2HB      LEU  50   3.119  -8.326   3.738
  421    HB3  LEU  50           3HB      LEU  50   1.988  -9.613   4.115
  422    HG   LEU  50           HG       LEU  50   4.155 -10.076   5.107
  423   HD11  LEU  50          1HD1      LEU  50   3.547 -11.883   2.775
  424   HD12  LEU  50          2HD1      LEU  50   2.870 -11.997   4.401
  425   HD13  LEU  50          3HD1      LEU  50   4.590 -12.294   4.139
  426   HD21  LEU  50          3HD2      LEU  50   6.133 -10.429   3.729
  427   HD22  LEU  50          1HD2      LEU  50   5.514  -8.785   3.545
  428   HD23  LEU  50          2HD2      LEU  50   5.214  -9.987   2.287
  429    H    GLU  51           H        GLU  51   0.168  -8.710   2.279
  430    HA   GLU  51           HA       GLU  51  -1.235 -11.091   2.599
  431    HB2  GLU  51           2HB      GLU  51  -2.107  -8.440   1.456
  432    HB3  GLU  51           3HB      GLU  51  -3.217  -9.773   1.749
  433    HG2  GLU  51           2HG      GLU  51  -2.590  -9.732   4.131
  434    HG3  GLU  51           3HG      GLU  51  -1.563  -8.334   3.809
  435    H    PHE  52           H        PHE  52  -0.609  -9.240  -0.387
  436    HA   PHE  52           HA       PHE  52  -1.897 -11.193  -2.022
  437    HB2  PHE  52           2HB      PHE  52  -0.093  -8.870  -2.676
  438    HB3  PHE  52           3HB      PHE  52  -0.747  -9.942  -3.913
  439    HD1  PHE  52           HD1      PHE  52  -3.399 -10.387  -3.509
  440    HD2  PHE  52           HD2      PHE  52  -1.224  -6.898  -2.410
  441    HE1  PHE  52           HE1      PHE  52  -5.481  -9.080  -3.556
  442    HE2  PHE  52           HE2      PHE  52  -3.306  -5.585  -2.455
  443    HZ   PHE  52           HZ       PHE  52  -5.436  -6.676  -3.029
  444    H    GLY  53           H        GLY  53   1.238 -10.915  -0.666
  445    HA2  GLY  53           2HA      GLY  53   2.646 -12.661  -2.392
  446    HA3  GLY  53           3HA      GLY  53   3.024 -12.359  -0.698
  447    H    GLN  54           H        GLN  54   0.400 -13.153   0.224
  448    HA   GLN  54           HA       GLN  54   0.708 -16.053   0.100
  449    HB2  GLN  54           2HB      GLN  54  -1.104 -14.323   1.798
  450    HB3  GLN  54           3HB      GLN  54  -0.942 -16.067   1.942
  451    HG2  GLN  54           2HG      GLN  54   1.377 -15.822   2.607
  452    HG3  GLN  54           3HG      GLN  54   1.272 -14.073   2.396
  453   HE21  GLN  54          1HE2      GLN  54   1.896 -15.703   4.763
  454   HE22  GLN  54          2HE2      GLN  54   0.752 -15.223   5.980
  455    H    LEU  55           H        LEU  55  -1.675 -13.545  -0.575
  456    HA   LEU  55           HA       LEU  55  -3.755 -15.379  -1.302
  457    HB2  LEU  55           2HB      LEU  55  -3.511 -12.394  -1.621
  458    HB3  LEU  55           3HB      LEU  55  -4.957 -13.312  -1.989
  459    HG   LEU  55           HG       LEU  55  -3.708 -13.250   0.753
  460   HD11  LEU  55          1HD1      LEU  55  -5.393 -11.607   1.339
  461   HD12  LEU  55          2HD1      LEU  55  -5.978 -11.588  -0.324
  462   HD13  LEU  55          3HD1      LEU  55  -4.360 -10.994   0.048
  463   HD21  LEU  55          3HD2      LEU  55  -5.182 -15.154   0.263
  464   HD22  LEU  55          1HD2      LEU  55  -6.459 -14.036  -0.211
  465   HD23  LEU  55          2HD2      LEU  55  -5.889 -14.069   1.459
  466    H    GLU  56           H        GLU  56  -1.033 -14.674  -2.936
  467    HA   GLU  56           HA       GLU  56  -2.046 -14.242  -5.552
  468    HB2  GLU  56           2HB      GLU  56   0.325 -13.819  -4.934
  469    HB3  GLU  56           3HB      GLU  56   0.570 -15.555  -4.767
  470    HG2  GLU  56           2HG      GLU  56   0.130 -15.896  -7.100
  471    HG3  GLU  56           3HG      GLU  56  -0.303 -14.203  -7.309
  472    H    HIS  57           H        HIS  57  -3.788 -15.660  -5.701
  473    HA   HIS  57           HA       HIS  57  -3.481 -18.474  -5.471
  474    HB2  HIS  57           2HB      HIS  57  -5.725 -18.605  -6.529
  475    HB3  HIS  57           3HB      HIS  57  -5.679 -17.514  -5.152
  476    HD1  HIS  57           HD1      HIS  57  -6.422 -17.656  -8.769
  477    HD2  HIS  57           HD2      HIS  57  -5.872 -14.737  -5.851
  478    HE1  HIS  57           HE1      HIS  57  -7.287 -15.517  -9.771
  479    HE2  HIS  57           HE2      HIS  57  -7.103 -13.805  -7.928
  480    H    HIS  58           H        HIS  58  -2.367 -19.680  -6.726
  481    HA   HIS  58           HA       HIS  58  -1.348 -20.597  -8.509
  482    HB2  HIS  58           2HB      HIS  58  -3.667 -19.333  -9.967
  483    HB3  HIS  58           3HB      HIS  58  -2.493 -20.388 -10.749
  484    HD1  HIS  58           HD1      HIS  58  -2.417 -22.900  -9.846
  485    HD2  HIS  58           HD2      HIS  58  -5.656 -20.615  -8.584
  486    HE1  HIS  58           HE1      HIS  58  -4.113 -24.546  -8.964
  487    HE2  HIS  58           HE2      HIS  58  -6.004 -23.127  -8.080
  488    H    HIS  59           H        HIS  59  -2.329 -18.080 -10.701
  489    HA   HIS  59           HA       HIS  59  -1.151 -16.590 -11.936
  490    HB2  HIS  59           2HB      HIS  59   0.298 -16.432  -9.327
  491    HB3  HIS  59           3HB      HIS  59   1.020 -15.666 -10.736
  492    HD1  HIS  59           HD1      HIS  59   0.677 -13.263 -10.165
  493    HD2  HIS  59           HD2      HIS  59  -2.822 -15.488  -9.812
  494    HE1  HIS  59           HE1      HIS  59  -1.153 -11.590  -9.760
  495    HE2  HIS  59           HE2      HIS  59  -3.276 -12.935  -9.747
  496    H    HIS  60           H        HIS  60   1.388 -18.383 -10.205
  497    HA   HIS  60           HA       HIS  60   3.000 -18.574 -12.586
  498    HB2  HIS  60           2HB      HIS  60   3.815 -18.326 -10.161
  499    HB3  HIS  60           3HB      HIS  60   3.449 -20.036  -9.983
  500    HD1  HIS  60           HD1      HIS  60   5.171 -21.691 -10.878
  501    HD2  HIS  60           HD2      HIS  60   5.939 -17.750 -11.969
  502    HE1  HIS  60           HE1      HIS  60   7.475 -21.695 -11.877
  503    HE2  HIS  60           HE2      HIS  60   8.004 -19.263 -12.282
  504    H    HIS  61           H        HIS  61   2.925 -20.171 -14.037
  505    HA   HIS  61           HA       HIS  61   1.333 -22.548 -13.477
  506    HB2  HIS  61           2HB      HIS  61   1.171 -21.396 -15.690
  507    HB3  HIS  61           3HB      HIS  61   2.854 -21.810 -15.994
  508    HD1  HIS  61           HD1      HIS  61  -0.528 -23.050 -16.437
  509    HD2  HIS  61           HD2      HIS  61   3.267 -24.729 -16.141
  510    HE1  HIS  61           HE1      HIS  61  -0.748 -25.393 -17.334
  511    HE2  HIS  61           HE2      HIS  61   1.520 -26.446 -16.982
  512    H    HIS  62           H        HIS  62   2.298 -24.047 -12.311
  513    HA   HIS  62           HA       HIS  62   3.818 -25.520 -11.503
  514    HB2  HIS  62           2HB      HIS  62   3.885 -26.411 -13.750
  515    HB3  HIS  62           3HB      HIS  62   5.005 -25.157 -14.263
  516    HD1  HIS  62           HD1      HIS  62   7.067 -26.400 -14.811
  517    HD2  HIS  62           HD2      HIS  62   5.444 -27.614 -11.182
  518    HE1  HIS  62           HE1      HIS  62   8.739 -28.004 -13.828
  519    HE2  HIS  62           HE2      HIS  62   7.848 -28.513 -11.524
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1 -10.006   7.478  -6.824
    2    H2   MET   1           2H       MET   1 -11.304   8.551  -6.616
    3    H3   MET   1           3H       MET   1 -10.816   7.549  -5.334
    4    HA   MET   1           HA       MET   1  -9.222   9.734  -6.533
    5    HB2  MET   1           2HB      MET   1 -10.747   9.476  -3.946
    6    HB3  MET   1           3HB      MET   1  -9.457  10.650  -4.156
    7    HG2  MET   1           2HG      MET   1 -11.928  10.489  -5.860
    8    HG3  MET   1           3HG      MET   1 -11.708  11.585  -4.497
    9    HE1  MET   1           3HE      MET   1 -12.221  13.719  -5.929
   10    HE2  MET   1           1HE      MET   1 -12.554  12.672  -7.310
   11    HE3  MET   1           2HE      MET   1 -11.476  14.054  -7.492
   12    H    ASN   2           H        ASN   2  -7.189  10.070  -5.583
   13    HA   ASN   2           HA       ASN   2  -6.035   7.635  -4.444
   14    HB2  ASN   2           2HB      ASN   2  -4.679  10.138  -5.476
   15    HB3  ASN   2           3HB      ASN   2  -3.859   8.679  -4.931
   16   HD21  ASN   2          1HD2      ASN   2  -5.644  10.176  -7.471
   17   HD22  ASN   2          2HD2      ASN   2  -5.436   8.920  -8.645
   18    H    LEU   3           H        LEU   3  -4.933   7.611  -2.486
   19    HA   LEU   3           HA       LEU   3  -5.731   9.735  -0.656
   20    HB2  LEU   3           2HB      LEU   3  -4.381   7.081  -0.179
   21    HB3  LEU   3           3HB      LEU   3  -4.798   8.217   1.090
   22    HG   LEU   3           HG       LEU   3  -6.737   6.785  -0.728
   23   HD11  LEU   3          1HD1      LEU   3  -5.781   5.353   0.985
   24   HD12  LEU   3          2HD1      LEU   3  -7.472   5.703   1.336
   25   HD13  LEU   3          3HD1      LEU   3  -6.198   6.537   2.225
   26   HD21  LEU   3          3HD2      LEU   3  -7.263   8.734   1.512
   27   HD22  LEU   3          1HD2      LEU   3  -8.484   7.824   0.622
   28   HD23  LEU   3          2HD2      LEU   3  -7.513   9.041  -0.209
   29    H    ARG   4           H        ARG   4  -3.905  10.103   1.142
   30    HA   ARG   4           HA       ARG   4  -1.760  11.393  -0.308
   31    HB2  ARG   4           2HB      ARG   4  -2.932  12.467   1.631
   32    HB3  ARG   4           3HB      ARG   4  -2.199  11.260   2.681
   33    HG2  ARG   4           2HG      ARG   4   0.028  12.054   1.981
   34    HG3  ARG   4           3HG      ARG   4  -0.753  13.317   1.028
   35    HD2  ARG   4           2HD      ARG   4  -1.836  14.127   3.118
   36    HD3  ARG   4           3HD      ARG   4  -0.878  12.951   4.017
   37    HE   ARG   4           HE       ARG   4   0.287  15.164   2.437
   38   HH11  ARG   4          1HH1      ARG   4   0.306  13.060   5.248
   39   HH12  ARG   4          2HH1      ARG   4   1.714  13.802   5.938
   40   HH21  ARG   4          1HH2      ARG   4   2.121  16.119   3.340
   41   HH22  ARG   4          2HH2      ARG   4   2.742  15.542   4.856
   42    H    TRP   5           H        TRP   5  -0.143  10.138  -0.964
   43    HA   TRP   5           HA       TRP   5   0.720   7.895   0.661
   44    HB2  TRP   5           2HB      TRP   5   1.493   8.830  -2.106
   45    HB3  TRP   5           3HB      TRP   5   2.307   7.505  -1.288
   46    HD1  TRP   5           HD1      TRP   5  -1.307   8.414  -2.417
   47    HE1  TRP   5           HE1      TRP   5  -2.512   6.219  -3.041
   48    HE3  TRP   5           HE3      TRP   5   2.398   5.102  -1.220
   49    HZ2  TRP   5           HZ2      TRP   5  -1.937   3.454  -3.039
   50    HZ3  TRP   5           HZ3      TRP   5   1.988   2.703  -1.567
   51    HH2  TRP   5           HH2      TRP   5  -0.133   1.899  -2.456
   52    H    THR   6           H        THR   6   2.295   8.024   2.072
   53    HA   THR   6           HA       THR   6   3.941  10.321   2.387
   54    HB   THR   6           HB       THR   6   5.186   8.875   4.037
   55    HG1  THR   6           HG1      THR   6   3.160   6.946   3.845
   56   HG21  THR   6          3HG2      THR   6   3.307   8.686   5.631
   57   HG22  THR   6          1HG2      THR   6   2.182   8.994   4.309
   58   HG23  THR   6          2HG2      THR   6   3.334  10.240   4.795
   59    H    SER   7           H        SER   7   6.353  10.243   2.310
   60    HA   SER   7           HA       SER   7   7.262   9.441  -0.226
   61    HB2  SER   7           2HB      SER   7   8.264  11.269   1.161
   62    HB3  SER   7           3HB      SER   7   8.960  10.036   2.210
   63    HG   SER   7           HG       SER   7  10.539  10.481   0.779
   64    H    GLU   8           H        GLU   8   7.469   7.944   2.948
   65    HA   GLU   8           HA       GLU   8   9.135   5.777   2.242
   66    HB2  GLU   8           2HB      GLU   8   7.029   6.037   4.395
   67    HB3  GLU   8           3HB      GLU   8   8.137   4.683   4.263
   68    HG2  GLU   8           2HG      GLU   8   8.951   6.166   5.934
   69    HG3  GLU   8           3HG      GLU   8  10.023   6.271   4.540
   70    H    ALA   9           H        ALA   9   5.617   6.179   2.319
   71    HA   ALA   9           HA       ALA   9   4.924   3.560   1.586
   72    HB1  ALA   9           3HB      ALA   9   3.429   6.116   1.019
   73    HB2  ALA   9           1HB      ALA   9   3.308   5.146   2.487
   74    HB3  ALA   9           2HB      ALA   9   2.758   4.486   0.945
   75    H    LYS  10           H        LYS  10   5.429   6.461  -0.406
   76    HA   LYS  10           HA       LYS  10   4.988   5.313  -2.908
   77    HB2  LYS  10           2HB      LYS  10   6.905   7.515  -2.123
   78    HB3  LYS  10           3HB      LYS  10   6.440   7.141  -3.777
   79    HG2  LYS  10           2HG      LYS  10   4.208   7.811  -3.407
   80    HG3  LYS  10           3HG      LYS  10   4.434   7.847  -1.660
   81    HD2  LYS  10           2HD      LYS  10   4.405  10.101  -2.484
   82    HD3  LYS  10           3HD      LYS  10   6.041   9.715  -1.954
   83    HE2  LYS  10           2HE      LYS  10   6.717   9.342  -4.261
   84    HE3  LYS  10           3HE      LYS  10   5.069   9.651  -4.810
   85    HZ1  LYS  10           3HZ      LYS  10   6.815  11.612  -3.411
   86    HZ2  LYS  10           1HZ      LYS  10   5.245  11.907  -3.977
   87    HZ3  LYS  10           2HZ      LYS  10   6.498  11.596  -5.075
   88    H    THR  11           H        THR  11   7.921   5.422  -0.937
   89    HA   THR  11           HA       THR  11   9.651   4.187  -2.787
   90    HB   THR  11           HB       THR  11   9.800   4.051   0.235
   91    HG1  THR  11           HG1      THR  11   9.732   6.213  -0.406
   92   HG21  THR  11          3HG2      THR  11  11.946   3.787  -1.877
   93   HG22  THR  11          1HG2      THR  11  11.305   2.482  -0.881
   94   HG23  THR  11          2HG2      THR  11  12.214   3.795  -0.134
   95    H    LYS  12           H        LYS  12   7.724   2.850  -0.114
   96    HA   LYS  12           HA       LYS  12   8.464   0.159  -0.498
   97    HB2  LYS  12           2HB      LYS  12   6.106   1.465   0.838
   98    HB3  LYS  12           3HB      LYS  12   6.278  -0.281   0.773
   99    HG2  LYS  12           2HG      LYS  12   8.340   1.564   1.942
  100    HG3  LYS  12           3HG      LYS  12   7.080   0.758   2.878
  101    HD2  LYS  12           2HD      LYS  12   7.934  -1.420   2.113
  102    HD3  LYS  12           3HD      LYS  12   9.217  -0.589   1.224
  103    HE2  LYS  12           2HE      LYS  12  10.160   0.255   3.252
  104    HE3  LYS  12           3HE      LYS  12   8.785  -0.315   4.195
  105    HZ1  LYS  12           3HZ      LYS  12  10.656  -1.784   4.473
  106    HZ2  LYS  12           1HZ      LYS  12  10.783  -2.015   2.797
  107    HZ3  LYS  12           2HZ      LYS  12   9.427  -2.600   3.633
  108    H    LEU  13           H        LEU  13   5.872   2.101  -1.882
  109    HA   LEU  13           HA       LEU  13   4.455   0.005  -3.114
  110    HB2  LEU  13           2HB      LEU  13   3.606   2.318  -2.840
  111    HB3  LEU  13           3HB      LEU  13   4.754   2.863  -4.047
  112    HG   LEU  13           HG       LEU  13   3.635   1.450  -5.734
  113   HD11  LEU  13          1HD1      LEU  13   2.756  -0.258  -4.219
  114   HD12  LEU  13          2HD1      LEU  13   1.493   0.424  -5.242
  115   HD13  LEU  13          3HD1      LEU  13   1.624   0.920  -3.553
  116   HD21  LEU  13          3HD2      LEU  13   3.002   3.800  -5.457
  117   HD22  LEU  13          1HD2      LEU  13   1.768   3.326  -4.290
  118   HD23  LEU  13          2HD2      LEU  13   1.637   2.808  -5.972
  119    H    LYS  14           H        LYS  14   7.312   1.802  -4.029
  120    HA   LYS  14           HA       LYS  14   7.464   0.726  -6.683
  121    HB2  LYS  14           2HB      LYS  14   9.485   2.169  -4.965
  122    HB3  LYS  14           3HB      LYS  14   9.796   1.667  -6.623
  123    HG2  LYS  14           2HG      LYS  14   8.101   3.114  -7.464
  124    HG3  LYS  14           3HG      LYS  14   7.520   3.469  -5.838
  125    HD2  LYS  14           2HD      LYS  14   9.651   4.562  -5.322
  126    HD3  LYS  14           3HD      LYS  14  10.224   4.207  -6.952
  127    HE2  LYS  14           2HE      LYS  14   7.731   5.804  -6.425
  128    HE3  LYS  14           3HE      LYS  14   9.325   6.550  -6.537
  129    HZ1  LYS  14           3HZ      LYS  14   8.094   4.897  -8.678
  130    HZ2  LYS  14           1HZ      LYS  14   9.551   5.759  -8.770
  131    HZ3  LYS  14           2HZ      LYS  14   8.079   6.592  -8.643
  132    H    ASN  15           H        ASN  15   7.933  -0.668  -3.694
  133    HA   ASN  15           HA       ASN  15   9.989  -2.532  -4.605
  134    HB2  ASN  15           2HB      ASN  15   8.506  -2.250  -1.993
  135    HB3  ASN  15           3HB      ASN  15   9.491  -3.660  -2.349
  136   HD21  ASN  15          1HD2      ASN  15  10.100  -0.260  -3.121
  137   HD22  ASN  15          2HD2      ASN  15  11.559  -0.140  -2.206
  138    H    ILE  16           H        ILE  16   6.716  -2.114  -4.898
  139    HA   ILE  16           HA       ILE  16   6.108  -4.974  -4.999
  140    HB   ILE  16           HB       ILE  16   4.240  -2.621  -5.364
  141   HG12  ILE  16          2HG1      ILE  16   4.710  -4.339  -2.913
  142   HG13  ILE  16          3HG1      ILE  16   5.265  -2.680  -3.109
  143   HG21  ILE  16          1HG2      ILE  16   3.663  -5.541  -4.863
  144   HG22  ILE  16          2HG2      ILE  16   3.440  -4.692  -6.393
  145   HG23  ILE  16          3HG2      ILE  16   2.462  -4.257  -4.991
  146   HD11  ILE  16          3HD1      ILE  16   3.271  -2.785  -1.737
  147   HD12  ILE  16          1HD1      ILE  16   2.397  -3.587  -3.044
  148   HD13  ILE  16          2HD1      ILE  16   2.951  -1.923  -3.243
  149    HA   PRO  17           HA       PRO  17   6.953  -5.083  -9.395
  150    HB2  PRO  17           2HB      PRO  17   4.960  -7.295  -9.203
  151    HB3  PRO  17           3HB      PRO  17   6.559  -7.287  -9.956
  152    HG2  PRO  17           2HG      PRO  17   6.180  -8.486  -7.616
  153    HG3  PRO  17           3HG      PRO  17   7.659  -7.556  -7.926
  154    HD2  PRO  17           2HD      PRO  17   5.261  -6.826  -6.302
  155    HD3  PRO  17           3HD      PRO  17   6.973  -6.459  -6.015
  156    H    PHE  18           H        PHE  18   5.969  -4.079 -11.089
  157    HA   PHE  18           HA       PHE  18   3.670  -2.571 -10.624
  158    HB2  PHE  18           2HB      PHE  18   3.778  -1.947 -13.008
  159    HB3  PHE  18           3HB      PHE  18   5.348  -1.852 -12.223
  160    HD1  PHE  18           HD1      PHE  18   3.324  -3.617 -14.701
  161    HD2  PHE  18           HD2      PHE  18   7.137  -3.364 -12.826
  162    HE1  PHE  18           HE1      PHE  18   4.283  -5.026 -16.472
  163    HE2  PHE  18           HE2      PHE  18   8.102  -4.777 -14.593
  164    HZ   PHE  18           HZ       PHE  18   6.675  -5.607 -16.418
  165    H    PHE  19           H        PHE  19   4.010  -5.757 -11.959
  166    HA   PHE  19           HA       PHE  19   1.540  -6.004 -13.262
  167    HB2  PHE  19           2HB      PHE  19   3.322  -7.654 -13.508
  168    HB3  PHE  19           3HB      PHE  19   3.182  -8.097 -11.812
  169    HD1  PHE  19           HD1      PHE  19   1.317  -8.075 -15.021
  170    HD2  PHE  19           HD2      PHE  19   1.726  -9.775 -11.141
  171    HE1  PHE  19           HE1      PHE  19  -0.315  -9.820 -15.616
  172    HE2  PHE  19           HE2      PHE  19   0.094 -11.519 -11.728
  173    HZ   PHE  19           HZ       PHE  19  -0.929 -11.544 -13.969
  174    H    ALA  20           H        ALA  20   2.399  -6.239  -9.865
  175    HA   ALA  20           HA       ALA  20  -0.421  -6.818  -9.236
  176    HB1  ALA  20           3HB      ALA  20   1.114  -8.566  -8.498
  177    HB2  ALA  20           1HB      ALA  20   0.370  -7.754  -7.122
  178    HB3  ALA  20           2HB      ALA  20   2.034  -7.379  -7.576
  179    H    ARG  21           H        ARG  21   1.819  -4.402  -9.303
  180    HA   ARG  21           HA       ARG  21   1.544  -3.148  -6.805
  181    HB2  ARG  21           2HB      ARG  21   3.377  -2.627  -8.298
  182    HB3  ARG  21           3HB      ARG  21   2.260  -2.002  -9.505
  183    HG2  ARG  21           2HG      ARG  21   1.624  -0.203  -7.994
  184    HG3  ARG  21           3HG      ARG  21   2.736  -0.832  -6.777
  185    HD2  ARG  21           2HD      ARG  21   4.619  -0.289  -8.052
  186    HD3  ARG  21           3HD      ARG  21   3.675  -0.107  -9.531
  187    HE   ARG  21           HE       ARG  21   2.680   1.797  -7.850
  188   HH11  ARG  21          1HH1      ARG  21   5.875   1.038  -9.068
  189   HH12  ARG  21          2HH1      ARG  21   6.412   2.688  -9.070
  190   HH21  ARG  21          1HH2      ARG  21   3.382   3.961  -7.835
  191   HH22  ARG  21          2HH2      ARG  21   4.992   4.353  -8.349
  192    H    SER  22           H        SER  22  -0.305  -2.840  -9.795
  193    HA   SER  22           HA       SER  22  -1.914  -0.664  -9.008
  194    HB2  SER  22           2HB      SER  22  -3.518  -1.675 -10.752
  195    HB3  SER  22           3HB      SER  22  -1.908  -1.219 -11.310
  196    HG   SER  22           HG       SER  22  -2.578  -3.319 -12.020
  197    H    GLN  23           H        GLN  23  -2.327  -4.152  -8.723
  198    HA   GLN  23           HA       GLN  23  -4.857  -4.118  -7.464
  199    HB2  GLN  23           2HB      GLN  23  -3.797  -6.100  -8.576
  200    HB3  GLN  23           3HB      GLN  23  -2.692  -6.217  -7.213
  201    HG2  GLN  23           2HG      GLN  23  -4.389  -7.800  -6.832
  202    HG3  GLN  23           3HG      GLN  23  -4.717  -6.457  -5.740
  203   HE21  GLN  23          1HE2      GLN  23  -5.362  -6.402  -9.171
  204   HE22  GLN  23          2HE2      GLN  23  -7.089  -6.389  -9.049
  205    H    ALA  24           H        ALA  24  -1.545  -4.226  -6.228
  206    HA   ALA  24           HA       ALA  24  -2.208  -4.466  -3.504
  207    HB1  ALA  24           3HB      ALA  24   0.026  -4.959  -4.379
  208    HB2  ALA  24           1HB      ALA  24   0.081  -3.799  -3.050
  209    HB3  ALA  24           2HB      ALA  24   0.265  -3.243  -4.714
  210    H    LYS  25           H        LYS  25  -1.587  -1.616  -5.533
  211    HA   LYS  25           HA       LYS  25  -1.656   0.330  -3.550
  212    HB2  LYS  25           2HB      LYS  25  -0.987   0.846  -5.830
  213    HB3  LYS  25           3HB      LYS  25  -2.607   0.491  -6.416
  214    HG2  LYS  25           2HG      LYS  25  -3.497   2.381  -5.215
  215    HG3  LYS  25           3HG      LYS  25  -1.916   2.710  -4.506
  216    HD2  LYS  25           2HD      LYS  25  -1.004   3.169  -6.716
  217    HD3  LYS  25           3HD      LYS  25  -2.563   2.788  -7.451
  218    HE2  LYS  25           2HE      LYS  25  -2.085   5.005  -5.462
  219    HE3  LYS  25           3HE      LYS  25  -2.158   5.221  -7.211
  220    HZ1  LYS  25           3HZ      LYS  25  -4.446   4.266  -7.103
  221    HZ2  LYS  25           1HZ      LYS  25  -4.273   5.764  -6.326
  222    HZ3  LYS  25           2HZ      LYS  25  -4.352   4.345  -5.406
  223    H    ALA  26           H        ALA  26  -4.318  -1.092  -5.409
  224    HA   ALA  26           HA       ALA  26  -6.414   0.417  -4.337
  225    HB1  ALA  26           3HB      ALA  26  -7.877  -1.395  -5.054
  226    HB2  ALA  26           1HB      ALA  26  -6.483  -2.461  -5.248
  227    HB3  ALA  26           2HB      ALA  26  -6.663  -1.045  -6.287
  228    H    ARG  27           H        ARG  27  -4.859  -2.534  -3.181
  229    HA   ARG  27           HA       ARG  27  -6.613  -2.946  -0.984
  230    HB2  ARG  27           2HB      ARG  27  -5.174  -4.718  -1.990
  231    HB3  ARG  27           3HB      ARG  27  -3.768  -3.918  -1.304
  232    HG2  ARG  27           2HG      ARG  27  -4.458  -5.802   0.065
  233    HG3  ARG  27           3HG      ARG  27  -4.650  -4.283   0.945
  234    HD2  ARG  27           2HD      ARG  27  -7.037  -4.273   0.380
  235    HD3  ARG  27           3HD      ARG  27  -6.836  -5.804  -0.470
  236    HE   ARG  27           HE       ARG  27  -6.001  -5.885   2.285
  237   HH11  ARG  27          1HH1      ARG  27  -8.676  -6.234   0.067
  238   HH12  ARG  27          2HH1      ARG  27  -9.632  -7.189   1.163
  239   HH21  ARG  27          1HH2      ARG  27  -7.239  -7.136   3.738
  240   HH22  ARG  27          2HH2      ARG  27  -8.811  -7.706   3.250
  241    H    ILE  28           H        ILE  28  -3.417  -1.445  -1.305
  242    HA   ILE  28           HA       ILE  28  -2.894  -0.901   1.378
  243    HB   ILE  28           HB       ILE  28  -2.128   0.760  -1.031
  244   HG12  ILE  28          2HG1      ILE  28  -0.483  -1.304   0.440
  245   HG13  ILE  28          3HG1      ILE  28  -1.429  -1.677  -0.998
  246   HG21  ILE  28          1HG2      ILE  28  -0.958   0.711   1.749
  247   HG22  ILE  28          2HG2      ILE  28  -1.890   2.028   1.036
  248   HG23  ILE  28          3HG2      ILE  28  -0.308   1.611   0.380
  249   HD11  ILE  28          3HD1      ILE  28  -0.120  -0.085  -2.283
  250   HD12  ILE  28          1HD1      ILE  28   0.911  -1.302  -1.530
  251   HD13  ILE  28          2HD1      ILE  28   0.815   0.318  -0.843
  252    H    GLU  29           H        GLU  29  -4.447   1.192  -1.045
  253    HA   GLU  29           HA       GLU  29  -4.987   3.274   0.795
  254    HB2  GLU  29           2HB      GLU  29  -6.260   2.678  -1.882
  255    HB3  GLU  29           3HB      GLU  29  -6.441   4.182  -0.986
  256    HG2  GLU  29           2HG      GLU  29  -4.038   4.570  -1.145
  257    HG3  GLU  29           3HG      GLU  29  -3.852   3.064  -2.038
  258    H    GLN  30           H        GLN  30  -6.773   0.421  -0.217
  259    HA   GLN  30           HA       GLN  30  -9.239   1.061   1.016
  260    HB2  GLN  30           2HB      GLN  30  -8.939  -0.799  -0.607
  261    HB3  GLN  30           3HB      GLN  30  -8.008  -1.674   0.601
  262    HG2  GLN  30           2HG      GLN  30 -10.027  -1.613   2.078
  263    HG3  GLN  30           3HG      GLN  30 -10.922  -0.944   0.714
  264   HE21  GLN  30          1HE2      GLN  30 -11.313  -2.251  -1.096
  265   HE22  GLN  30          2HE2      GLN  30 -11.178  -3.977  -1.014
  266    H    LEU  31           H        LEU  31  -6.341  -0.614   2.159
  267    HA   LEU  31           HA       LEU  31  -7.218  -1.244   4.745
  268    HB2  LEU  31           2HB      LEU  31  -4.438  -0.577   3.765
  269    HB3  LEU  31           3HB      LEU  31  -4.799  -1.301   5.321
  270    HG   LEU  31           HG       LEU  31  -5.487  -2.588   2.680
  271   HD11  LEU  31          1HD1      LEU  31  -3.560  -4.023   3.017
  272   HD12  LEU  31          2HD1      LEU  31  -3.134  -3.140   4.484
  273   HD13  LEU  31          3HD1      LEU  31  -3.056  -2.333   2.916
  274   HD21  LEU  31          3HD2      LEU  31  -5.399  -3.667   5.494
  275   HD22  LEU  31          1HD2      LEU  31  -5.750  -4.602   4.041
  276   HD23  LEU  31          2HD2      LEU  31  -6.854  -3.325   4.557
  277    H    ALA  32           H        ALA  32  -5.733   1.673   3.425
  278    HA   ALA  32           HA       ALA  32  -5.544   3.086   5.861
  279    HB1  ALA  32           3HB      ALA  32  -4.337   3.756   3.842
  280    HB2  ALA  32           1HB      ALA  32  -5.303   5.080   4.494
  281    HB3  ALA  32           2HB      ALA  32  -5.863   4.194   3.076
  282    H    ARG  33           H        ARG  33  -8.104   2.879   3.414
  283    HA   ARG  33           HA       ARG  33  -9.909   4.685   4.583
  284    HB2  ARG  33           2HB      ARG  33 -10.588   2.146   3.082
  285    HB3  ARG  33           3HB      ARG  33 -11.661   3.510   3.347
  286    HG2  ARG  33           2HG      ARG  33 -10.208   4.925   1.990
  287    HG3  ARG  33           3HG      ARG  33  -9.124   3.556   1.727
  288    HD2  ARG  33           2HD      ARG  33 -11.099   2.333   0.744
  289    HD3  ARG  33           3HD      ARG  33 -11.970   3.866   0.791
  290    HE   ARG  33           HE       ARG  33  -9.727   3.164  -0.952
  291   HH11  ARG  33          1HH1      ARG  33 -12.013   5.584   0.153
  292   HH12  ARG  33          2HH1      ARG  33 -11.797   6.604  -1.239
  293   HH21  ARG  33          1HH2      ARG  33  -9.431   4.499  -2.777
  294   HH22  ARG  33          2HH2      ARG  33 -10.346   5.969  -2.927
  295    H    GLN  34           H        GLN  34  -9.331   1.257   5.126
  296    HA   GLN  34           HA       GLN  34 -11.422   0.819   6.968
  297    HB2  GLN  34           2HB      GLN  34 -10.059  -0.922   5.706
  298    HB3  GLN  34           3HB      GLN  34  -8.789  -0.660   6.891
  299    HG2  GLN  34           2HG      GLN  34 -11.555  -1.421   7.748
  300    HG3  GLN  34           3HG      GLN  34 -10.403  -2.637   7.206
  301   HE21  GLN  34          1HE2      GLN  34  -8.101  -1.245   8.309
  302   HE22  GLN  34          2HE2      GLN  34  -8.179  -1.464  10.026
  303    H    ALA  35           H        ALA  35  -8.054   1.808   7.374
  304    HA   ALA  35           HA       ALA  35  -8.232   1.975  10.238
  305    HB1  ALA  35           3HB      ALA  35  -6.033   3.033  10.110
  306    HB2  ALA  35           1HB      ALA  35  -6.189   3.153   8.358
  307    HB3  ALA  35           2HB      ALA  35  -6.091   1.570   9.127
  308    H    GLU  36           H        GLU  36  -9.446   3.801   7.761
  309    HA   GLU  36           HA       GLU  36 -10.602   5.723   7.643
  310    HB2  GLU  36           2HB      GLU  36 -10.326   5.653  10.648
  311    HB3  GLU  36           3HB      GLU  36 -11.292   6.843   9.780
  312    HG2  GLU  36           2HG      GLU  36 -12.557   4.940   8.761
  313    HG3  GLU  36           3HG      GLU  36 -11.694   3.865   9.859
  314    H    GLN  37           H        GLN  37  -7.641   5.636   7.608
  315    HA   GLN  37           HA       GLN  37  -7.151   8.491   8.141
  316    HB2  GLN  37           2HB      GLN  37  -4.727   7.919   8.011
  317    HB3  GLN  37           3HB      GLN  37  -5.564   7.133   9.341
  318    HG2  GLN  37           2HG      GLN  37  -5.665   5.058   8.076
  319    HG3  GLN  37           3HG      GLN  37  -4.867   5.843   6.712
  320   HE21  GLN  37          1HE2      GLN  37  -3.152   4.405   6.763
  321   HE22  GLN  37          2HE2      GLN  37  -1.937   4.451   7.991
  322    H    ASP  38           H        ASP  38  -6.460   9.805   6.472
  323    HA   ASP  38           HA       ASP  38  -7.005   8.732   3.814
  324    HB2  ASP  38           2HB      ASP  38  -6.547  11.569   4.761
  325    HB3  ASP  38           3HB      ASP  38  -6.920  11.118   3.102
  326    H    ILE  39           H        ILE  39  -4.427   8.919   5.733
  327    HA   ILE  39           HA       ILE  39  -2.514   9.373   3.538
  328    HB   ILE  39           HB       ILE  39  -1.942   9.428   6.509
  329   HG12  ILE  39          2HG1      ILE  39  -2.266  11.800   4.659
  330   HG13  ILE  39          3HG1      ILE  39  -3.508  11.248   5.777
  331   HG21  ILE  39          1HG2      ILE  39  -0.013   8.910   5.136
  332   HG22  ILE  39          2HG2      ILE  39   0.144  10.532   5.807
  333   HG23  ILE  39          3HG2      ILE  39  -0.327  10.317   4.123
  334   HD11  ILE  39          3HD1      ILE  39  -2.024  11.692   7.651
  335   HD12  ILE  39          1HD1      ILE  39  -2.275  13.136   6.672
  336   HD13  ILE  39          2HD1      ILE  39  -0.769  12.228   6.535
  337    H    VAL  40           H        VAL  40  -1.250   7.660   2.943
  338    HA   VAL  40           HA       VAL  40  -1.663   5.190   4.464
  339    HB   VAL  40           HB       VAL  40  -0.834   3.959   2.558
  340   HG11  VAL  40          1HG1      VAL  40  -3.196   4.538   2.566
  341   HG12  VAL  40          2HG1      VAL  40  -2.567   4.491   0.916
  342   HG13  VAL  40          3HG1      VAL  40  -2.842   6.042   1.715
  343   HG21  VAL  40          3HG2      VAL  40  -0.197   5.033   0.475
  344   HG22  VAL  40          1HG2      VAL  40   0.859   5.545   1.791
  345   HG23  VAL  40          2HG2      VAL  40  -0.417   6.620   1.211
  346    H    THR  41           H        THR  41  -0.088   4.187   5.508
  347    HA   THR  41           HA       THR  41   2.516   5.503   5.605
  348    HB   THR  41           HB       THR  41   2.664   3.862   7.679
  349    HG1  THR  41           HG1      THR  41   0.842   2.748   7.708
  350   HG21  THR  41          3HG2      THR  41   1.673   5.620   9.087
  351   HG22  THR  41          1HG2      THR  41   0.934   6.346   7.658
  352   HG23  THR  41          2HG2      THR  41   2.688   6.310   7.822
  353    HA   PRO  42           HA       PRO  42   4.690   2.456   3.430
  354    HB2  PRO  42           2HB      PRO  42   6.831   1.887   5.080
  355    HB3  PRO  42           3HB      PRO  42   6.715   3.299   4.026
  356    HG2  PRO  42           2HG      PRO  42   6.142   3.062   6.953
  357    HG3  PRO  42           3HG      PRO  42   6.968   4.362   6.074
  358    HD2  PRO  42           2HD      PRO  42   4.427   4.623   6.870
  359    HD3  PRO  42           3HD      PRO  42   4.976   5.280   5.315
  360    H    GLU  43           H        GLU  43   4.007   1.589   6.778
  361    HA   GLU  43           HA       GLU  43   4.693  -1.168   6.367
  362    HB2  GLU  43           2HB      GLU  43   3.322  -1.222   8.706
  363    HB3  GLU  43           3HB      GLU  43   5.036  -0.885   8.565
  364    HG2  GLU  43           2HG      GLU  43   4.161   0.736  10.014
  365    HG3  GLU  43           3HG      GLU  43   4.434   1.556   8.480
  366    H    LEU  44           H        LEU  44   1.790   0.746   6.126
  367    HA   LEU  44           HA       LEU  44   0.012  -1.477   5.888
  368    HB2  LEU  44           2HB      LEU  44  -0.124   1.422   5.450
  369    HB3  LEU  44           3HB      LEU  44  -1.120   0.496   4.345
  370    HG   LEU  44           HG       LEU  44  -2.272  -0.545   6.247
  371   HD11  LEU  44          1HD1      LEU  44  -0.553   1.269   7.926
  372   HD12  LEU  44          2HD1      LEU  44  -0.490  -0.494   7.885
  373   HD13  LEU  44          3HD1      LEU  44  -1.924   0.324   8.510
  374   HD21  LEU  44          3HD2      LEU  44  -3.175   1.486   5.258
  375   HD22  LEU  44          1HD2      LEU  44  -2.205   2.466   6.359
  376   HD23  LEU  44          2HD2      LEU  44  -3.490   1.435   6.993
  377    H    VAL  45           H        VAL  45   1.954   0.404   3.644
  378    HA   VAL  45           HA       VAL  45   1.153  -0.819   1.242
  379    HB   VAL  45           HB       VAL  45   3.886   0.259   1.974
  380   HG11  VAL  45          1HG1      VAL  45   3.960  -1.162  -0.012
  381   HG12  VAL  45          2HG1      VAL  45   4.227   0.532  -0.424
  382   HG13  VAL  45          3HG1      VAL  45   2.663  -0.216  -0.742
  383   HG21  VAL  45          3HG2      VAL  45   2.156   1.928   2.282
  384   HG22  VAL  45          1HG2      VAL  45   1.534   1.612   0.663
  385   HG23  VAL  45          2HG2      VAL  45   3.136   2.318   0.869
  386    H    GLU  46           H        GLU  46   3.711  -1.633   3.553
  387    HA   GLU  46           HA       GLU  46   4.606  -3.922   2.121
  388    HB2  GLU  46           2HB      GLU  46   5.933  -2.576   3.801
  389    HB3  GLU  46           3HB      GLU  46   4.987  -3.357   5.058
  390    HG2  GLU  46           2HG      GLU  46   5.943  -5.426   4.684
  391    HG3  GLU  46           3HG      GLU  46   6.471  -5.000   3.055
  392    H    GLN  47           H        GLN  47   2.308  -3.402   4.759
  393    HA   GLN  47           HA       GLN  47   1.688  -6.032   5.407
  394    HB2  GLN  47           2HB      GLN  47   0.605  -3.519   5.957
  395    HB3  GLN  47           3HB      GLN  47  -0.699  -4.379   5.159
  396    HG2  GLN  47           2HG      GLN  47   0.784  -5.570   7.475
  397    HG3  GLN  47           3HG      GLN  47  -0.559  -4.462   7.708
  398   HE21  GLN  47          1HE2      GLN  47  -0.378  -6.880   5.145
  399   HE22  GLN  47          2HE2      GLN  47  -1.664  -7.868   5.742
  400    H    ALA  48           H        ALA  48   0.245  -3.977   2.878
  401    HA   ALA  48           HA       ALA  48  -1.425  -5.937   1.768
  402    HB1  ALA  48           3HB      ALA  48  -1.528  -4.497  -0.193
  403    HB2  ALA  48           1HB      ALA  48  -0.135  -3.588   0.392
  404    HB3  ALA  48           2HB      ALA  48  -1.652  -3.553   1.292
  405    H    ARG  49           H        ARG  49   1.971  -5.277   1.334
  406    HA   ARG  49           HA       ARG  49   2.370  -6.779  -1.042
  407    HB2  ARG  49           2HB      ARG  49   3.902  -5.052   0.096
  408    HB3  ARG  49           3HB      ARG  49   4.421  -6.384   1.118
  409    HG2  ARG  49           2HG      ARG  49   5.068  -7.614  -0.953
  410    HG3  ARG  49           3HG      ARG  49   4.716  -6.142  -1.862
  411    HD2  ARG  49           2HD      ARG  49   6.305  -4.957  -0.292
  412    HD3  ARG  49           3HD      ARG  49   6.779  -6.555   0.274
  413    HE   ARG  49           HE       ARG  49   7.008  -5.870  -2.571
  414   HH11  ARG  49          1HH1      ARG  49   8.482  -6.856   0.450
  415   HH12  ARG  49          2HH1      ARG  49  10.050  -7.124  -0.260
  416   HH21  ARG  49          1HH2      ARG  49   9.075  -6.161  -3.492
  417   HH22  ARG  49          2HH2      ARG  49  10.396  -6.703  -2.495
  418    H    LEU  50           H        LEU  50   2.536  -7.506   2.393
  419    HA   LEU  50           HA       LEU  50   3.341 -10.226   2.058
  420    HB2  LEU  50           2HB      LEU  50   3.073  -8.406   4.187
  421    HB3  LEU  50           3HB      LEU  50   2.002  -9.742   4.557
  422    HG   LEU  50           HG       LEU  50   4.189 -10.087   5.561
  423   HD11  LEU  50          1HD1      LEU  50   4.691 -12.306   4.634
  424   HD12  LEU  50          2HD1      LEU  50   3.644 -11.952   3.258
  425   HD13  LEU  50          3HD1      LEU  50   2.963 -12.059   4.881
  426   HD21  LEU  50          3HD2      LEU  50   5.516  -8.781   3.990
  427   HD22  LEU  50          1HD2      LEU  50   5.235  -9.990   2.736
  428   HD23  LEU  50          2HD2      LEU  50   6.172 -10.408   4.170
  429    H    GLU  51           H        GLU  51   0.284  -8.544   2.279
  430    HA   GLU  51           HA       GLU  51  -1.482 -10.647   2.691
  431    HB2  GLU  51           2HB      GLU  51  -1.768  -8.216   0.912
  432    HB3  GLU  51           3HB      GLU  51  -3.090  -9.310   1.285
  433    HG2  GLU  51           2HG      GLU  51  -1.536  -7.781   3.352
  434    HG3  GLU  51           3HG      GLU  51  -3.044  -7.222   2.631
  435    H    PHE  52           H        PHE  52  -0.163  -9.433  -0.379
  436    HA   PHE  52           HA       PHE  52  -1.454 -11.466  -1.912
  437    HB2  PHE  52           2HB      PHE  52   0.685  -9.456  -2.617
  438    HB3  PHE  52           3HB      PHE  52   0.006 -10.592  -3.782
  439    HD1  PHE  52           HD1      PHE  52  -2.474 -10.514  -4.232
  440    HD2  PHE  52           HD2      PHE  52  -0.427  -7.463  -2.089
  441    HE1  PHE  52           HE1      PHE  52  -4.353  -8.978  -4.633
  442    HE2  PHE  52           HE2      PHE  52  -2.301  -5.923  -2.483
  443    HZ   PHE  52           HZ       PHE  52  -4.266  -6.680  -3.758
  444    H    GLY  53           H        GLY  53   1.602 -11.209  -0.284
  445    HA2  GLY  53           2HA      GLY  53   2.934 -13.377  -1.492
  446    HA3  GLY  53           3HA      GLY  53   3.157 -12.843   0.172
  447    H    GLN  54           H        GLN  54   0.384 -13.234   0.905
  448    HA   GLN  54           HA       GLN  54   0.432 -16.109   1.332
  449    HB2  GLN  54           2HB      GLN  54  -1.446 -13.973   2.364
  450    HB3  GLN  54           3HB      GLN  54  -1.476 -15.662   2.849
  451    HG2  GLN  54           2HG      GLN  54   0.869 -13.828   3.244
  452    HG3  GLN  54           3HG      GLN  54  -0.361 -14.153   4.463
  453   HE21  GLN  54          1HE2      GLN  54  -0.424 -16.135   5.469
  454   HE22  GLN  54          2HE2      GLN  54   0.881 -17.275   5.372
  455    H    LEU  55           H        LEU  55  -1.338 -13.720  -0.477
  456    HA   LEU  55           HA       LEU  55  -3.526 -15.485  -1.121
  457    HB2  LEU  55           2HB      LEU  55  -2.790 -12.743  -2.138
  458    HB3  LEU  55           3HB      LEU  55  -4.245 -13.604  -2.596
  459    HG   LEU  55           HG       LEU  55  -3.568 -12.764   0.223
  460   HD11  LEU  55          1HD1      LEU  55  -3.965 -10.836  -1.199
  461   HD12  LEU  55          2HD1      LEU  55  -5.317 -11.077  -0.092
  462   HD13  LEU  55          3HD1      LEU  55  -5.465 -11.554  -1.784
  463   HD21  LEU  55          3HD2      LEU  55  -5.897 -13.342   0.687
  464   HD22  LEU  55          1HD2      LEU  55  -4.994 -14.742   0.109
  465   HD23  LEU  55          2HD2      LEU  55  -6.095 -13.893  -0.977
  466    H    GLU  56           H        GLU  56  -0.423 -15.290  -2.239
  467    HA   GLU  56           HA       GLU  56  -0.792 -15.575  -5.031
  468    HB2  GLU  56           2HB      GLU  56   1.400 -15.470  -3.263
  469    HB3  GLU  56           3HB      GLU  56   1.524 -17.019  -4.087
  470    HG2  GLU  56           2HG      GLU  56   1.177 -14.403  -5.529
  471    HG3  GLU  56           3HG      GLU  56   2.747 -15.110  -5.159
  472    H    HIS  57           H        HIS  57  -2.204 -17.075  -5.697
  473    HA   HIS  57           HA       HIS  57  -1.984 -19.794  -4.612
  474    HB2  HIS  57           2HB      HIS  57  -4.222 -18.475  -6.160
  475    HB3  HIS  57           3HB      HIS  57  -4.222 -20.161  -5.652
  476    HD1  HIS  57           HD1      HIS  57  -5.449 -16.978  -4.626
  477    HD2  HIS  57           HD2      HIS  57  -3.871 -20.281  -2.642
  478    HE1  HIS  57           HE1      HIS  57  -6.202 -16.763  -2.235
  479    HE2  HIS  57           HE2      HIS  57  -5.234 -18.764  -1.047
  480    H    HIS  58           H        HIS  58  -0.848 -18.017  -7.105
  481    HA   HIS  58           HA       HIS  58  -1.022 -20.092  -9.144
  482    HB2  HIS  58           2HB      HIS  58  -1.019 -17.600  -9.656
  483    HB3  HIS  58           3HB      HIS  58   0.667 -17.578  -9.157
  484    HD1  HIS  58           HD1      HIS  58   1.841 -17.159 -11.309
  485    HD2  HIS  58           HD2      HIS  58  -0.978 -20.204 -11.612
  486    HE1  HIS  58           HE1      HIS  58   2.110 -18.105 -13.628
  487    HE2  HIS  58           HE2      HIS  58   0.483 -20.033 -13.743
  488    H    HIS  59           H        HIS  59   1.170 -18.739  -6.791
  489    HA   HIS  59           HA       HIS  59   3.000 -21.004  -7.200
  490    HB2  HIS  59           2HB      HIS  59   3.262 -18.401  -5.704
  491    HB3  HIS  59           3HB      HIS  59   4.324 -19.757  -5.350
  492    HD1  HIS  59           HD1      HIS  59   6.500 -19.312  -6.394
  493    HD2  HIS  59           HD2      HIS  59   3.350 -18.150  -8.849
  494    HE1  HIS  59           HE1      HIS  59   7.565 -18.458  -8.509
  495    HE2  HIS  59           HE2      HIS  59   5.647 -17.560  -9.877
  496    H    HIS  60           H        HIS  60   1.753 -22.666  -6.334
  497    HA   HIS  60           HA       HIS  60   1.485 -22.603  -3.438
  498    HB2  HIS  60           2HB      HIS  60  -0.685 -21.783  -4.293
  499    HB3  HIS  60           3HB      HIS  60  -0.861 -23.260  -5.232
  500    HD1  HIS  60           HD1      HIS  60  -1.132 -21.904  -1.766
  501    HD2  HIS  60           HD2      HIS  60  -1.519 -25.560  -3.719
  502    HE1  HIS  60           HE1      HIS  60  -2.246 -23.449  -0.117
  503    HE2  HIS  60           HE2      HIS  60  -2.572 -25.614  -1.360
  504    H    HIS  61           H        HIS  61   3.006 -24.197  -3.231
  505    HA   HIS  61           HA       HIS  61   1.821 -26.808  -3.327
  506    HB2  HIS  61           2HB      HIS  61   3.554 -27.969  -4.553
  507    HB3  HIS  61           3HB      HIS  61   2.881 -26.714  -5.578
  508    HD1  HIS  61           HD1      HIS  61   4.487 -25.032  -6.539
  509    HD2  HIS  61           HD2      HIS  61   6.205 -27.392  -3.576
  510    HE1  HIS  61           HE1      HIS  61   6.945 -24.500  -6.583
  511    HE2  HIS  61           HE2      HIS  61   7.916 -25.777  -4.641
  512    H    HIS  62           H        HIS  62   2.538 -28.051  -1.664
  513    HA   HIS  62           HA       HIS  62   4.752 -26.915  -0.078
  514    HB2  HIS  62           2HB      HIS  62   2.436 -26.739   0.923
  515    HB3  HIS  62           3HB      HIS  62   2.412 -28.495   1.007
  516    HD1  HIS  62           HD1      HIS  62   3.541 -29.571   2.986
  517    HD2  HIS  62           HD2      HIS  62   4.409 -25.519   2.638
  518    HE1  HIS  62           HE1      HIS  62   4.721 -28.942   5.116
  519    HE2  HIS  62           HE2      HIS  62   5.070 -26.449   4.962
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1 -11.038  10.715  -4.691
    2    H2   MET   1           2H       MET   1  -9.347  10.813  -4.745
    3    H3   MET   1           3H       MET   1 -10.113  10.205  -3.363
    4    HA   MET   1           HA       MET   1 -10.949   8.328  -4.631
    5    HB2  MET   1           2HB      MET   1  -9.267   9.549  -6.832
    6    HB3  MET   1           3HB      MET   1  -9.965   7.937  -6.890
    7    HG2  MET   1           2HG      MET   1 -12.190   8.844  -6.833
    8    HG3  MET   1           3HG      MET   1 -11.558  10.474  -6.623
    9    HE1  MET   1           3HE      MET   1  -9.087  10.505  -8.600
   10    HE2  MET   1           1HE      MET   1 -10.263  11.816  -8.503
   11    HE3  MET   1           2HE      MET   1  -9.833  11.132 -10.070
   12    H    ASN   2           H        ASN   2  -7.681   9.639  -5.201
   13    HA   ASN   2           HA       ASN   2  -6.522   7.222  -4.023
   14    HB2  ASN   2           2HB      ASN   2  -5.263   9.634  -5.350
   15    HB3  ASN   2           3HB      ASN   2  -4.339   8.325  -4.624
   16   HD21  ASN   2          1HD2      ASN   2  -6.202   6.263  -5.448
   17   HD22  ASN   2          2HD2      ASN   2  -5.985   6.070  -7.160
   18    H    LEU   3           H        LEU   3  -5.017   7.378  -2.267
   19    HA   LEU   3           HA       LEU   3  -5.809   9.477  -0.391
   20    HB2  LEU   3           2HB      LEU   3  -4.348   6.881   0.052
   21    HB3  LEU   3           3HB      LEU   3  -4.713   8.041   1.316
   22    HG   LEU   3           HG       LEU   3  -6.653   6.371  -0.268
   23   HD11  LEU   3          1HD1      LEU   3  -7.294   5.566   1.934
   24   HD12  LEU   3          2HD1      LEU   3  -6.102   6.628   2.682
   25   HD13  LEU   3          3HD1      LEU   3  -5.577   5.301   1.641
   26   HD21  LEU   3          3HD2      LEU   3  -7.256   8.637   1.630
   27   HD22  LEU   3          1HD2      LEU   3  -8.441   7.515   0.966
   28   HD23  LEU   3          2HD2      LEU   3  -7.574   8.616  -0.105
   29    H    ARG   4           H        ARG   4  -3.872   9.813   1.287
   30    HA   ARG   4           HA       ARG   4  -1.803  11.098  -0.316
   31    HB2  ARG   4           2HB      ARG   4  -2.392  11.330   2.642
   32    HB3  ARG   4           3HB      ARG   4  -1.287  12.342   1.716
   33    HG2  ARG   4           2HG      ARG   4  -3.109  13.256   0.441
   34    HG3  ARG   4           3HG      ARG   4  -4.248  12.150   1.211
   35    HD2  ARG   4           2HD      ARG   4  -3.703  13.209   3.392
   36    HD3  ARG   4           3HD      ARG   4  -2.704  14.377   2.527
   37    HE   ARG   4           HE       ARG   4  -5.546  14.111   1.824
   38   HH11  ARG   4          1HH1      ARG   4  -2.941  15.996   3.209
   39   HH12  ARG   4          2HH1      ARG   4  -3.845  17.481   3.194
   40   HH21  ARG   4          1HH2      ARG   4  -6.743  16.074   1.820
   41   HH22  ARG   4          2HH2      ARG   4  -5.988  17.530   2.415
   42    H    TRP   5           H        TRP   5   0.128  10.236  -0.532
   43    HA   TRP   5           HA       TRP   5   0.734   7.880   1.112
   44    HB2  TRP   5           2HB      TRP   5   1.644   8.677  -1.657
   45    HB3  TRP   5           3HB      TRP   5   2.325   7.321  -0.768
   46    HD1  TRP   5           HD1      TRP   5  -1.269   8.422  -1.829
   47    HE1  TRP   5           HE1      TRP   5  -2.536   6.310  -2.592
   48    HE3  TRP   5           HE3      TRP   5   2.385   4.942  -0.973
   49    HZ2  TRP   5           HZ2      TRP   5  -2.034   3.543  -2.805
   50    HZ3  TRP   5           HZ3      TRP   5   1.907   2.586  -1.484
   51    HH2  TRP   5           HH2      TRP   5  -0.261   1.901  -2.381
   52    H    THR   6           H        THR   6   2.500   7.806   2.362
   53    HA   THR   6           HA       THR   6   4.156  10.113   2.698
   54    HB   THR   6           HB       THR   6   5.493   8.563   4.203
   55    HG1  THR   6           HG1      THR   6   3.405   6.726   4.168
   56   HG21  THR   6          3HG2      THR   6   3.749   8.408   5.924
   57   HG22  THR   6          1HG2      THR   6   2.520   8.745   4.704
   58   HG23  THR   6          2HG2      THR   6   3.719   9.975   5.109
   59    H    SER   7           H        SER   7   6.496  10.139   2.369
   60    HA   SER   7           HA       SER   7   7.226   9.461  -0.241
   61    HB2  SER   7           2HB      SER   7   9.108   9.972   2.075
   62    HB3  SER   7           3HB      SER   7   9.439  10.220   0.358
   63    HG   SER   7           HG       SER   7   8.249  12.001   0.353
   64    H    GLU   8           H        GLU   8   7.784   7.790   2.804
   65    HA   GLU   8           HA       GLU   8   9.461   5.765   1.709
   66    HB2  GLU   8           2HB      GLU   8   7.865   5.824   4.276
   67    HB3  GLU   8           3HB      GLU   8   9.072   4.610   3.868
   68    HG2  GLU   8           2HG      GLU   8  10.799   6.307   3.814
   69    HG3  GLU   8           3HG      GLU   8   9.603   7.557   4.151
   70    H    ALA   9           H        ALA   9   5.995   6.098   2.206
   71    HA   ALA   9           HA       ALA   9   5.322   3.404   1.614
   72    HB1  ALA   9           3HB      ALA   9   3.634   5.887   1.297
   73    HB2  ALA   9           1HB      ALA   9   3.757   4.900   2.754
   74    HB3  ALA   9           2HB      ALA   9   3.046   4.225   1.289
   75    H    LYS  10           H        LYS  10   5.649   6.326  -0.346
   76    HA   LYS  10           HA       LYS  10   4.856   5.262  -2.814
   77    HB2  LYS  10           2HB      LYS  10   7.010   7.328  -2.304
   78    HB3  LYS  10           3HB      LYS  10   6.190   7.049  -3.832
   79    HG2  LYS  10           2HG      LYS  10   4.105   7.815  -2.902
   80    HG3  LYS  10           3HG      LYS  10   4.843   7.984  -1.306
   81    HD2  LYS  10           2HD      LYS  10   6.450   9.613  -2.334
   82    HD3  LYS  10           3HD      LYS  10   5.479   9.548  -3.802
   83    HE2  LYS  10           2HE      LYS  10   4.465  10.373  -1.086
   84    HE3  LYS  10           3HE      LYS  10   4.942  11.484  -2.367
   85    HZ1  LYS  10           3HZ      LYS  10   3.202  10.409  -3.769
   86    HZ2  LYS  10           1HZ      LYS  10   2.596  11.262  -2.435
   87    HZ3  LYS  10           2HZ      LYS  10   2.675   9.575  -2.398
   88    H    THR  11           H        THR  11   8.011   5.350  -1.224
   89    HA   THR  11           HA       THR  11   9.510   4.094  -3.230
   90    HB   THR  11           HB       THR  11   9.971   3.938  -0.240
   91    HG1  THR  11           HG1      THR  11   9.839   6.109  -0.836
   92   HG21  THR  11          3HG2      THR  11  12.326   3.678  -0.848
   93   HG22  THR  11          1HG2      THR  11  11.903   3.731  -2.558
   94   HG23  THR  11          2HG2      THR  11  11.355   2.387  -1.556
   95    H    LYS  12           H        LYS  12   7.801   2.750  -0.416
   96    HA   LYS  12           HA       LYS  12   8.496   0.057  -0.853
   97    HB2  LYS  12           2HB      LYS  12   6.291   1.418   0.654
   98    HB3  LYS  12           3HB      LYS  12   6.323  -0.334   0.506
   99    HG2  LYS  12           2HG      LYS  12   8.633   1.254   1.582
  100    HG3  LYS  12           3HG      LYS  12   7.333   0.624   2.600
  101    HD2  LYS  12           2HD      LYS  12   7.835  -1.649   1.747
  102    HD3  LYS  12           3HD      LYS  12   9.204  -0.980   0.849
  103    HE2  LYS  12           2HE      LYS  12  10.303  -0.342   2.864
  104    HE3  LYS  12           3HE      LYS  12   8.879  -0.714   3.834
  105    HZ1  LYS  12           3HZ      LYS  12  10.589  -2.438   3.982
  106    HZ2  LYS  12           1HZ      LYS  12  10.468  -2.711   2.311
  107    HZ3  LYS  12           2HZ      LYS  12   9.146  -3.040   3.324
  108    H    LEU  13           H        LEU  13   5.774   2.007  -2.003
  109    HA   LEU  13           HA       LEU  13   4.292  -0.069  -3.179
  110    HB2  LEU  13           2HB      LEU  13   3.412   2.202  -2.825
  111    HB3  LEU  13           3HB      LEU  13   4.516   2.821  -4.037
  112    HG   LEU  13           HG       LEU  13   3.359   1.420  -5.742
  113   HD11  LEU  13          1HD1      LEU  13   1.428   0.894  -3.492
  114   HD12  LEU  13          2HD1      LEU  13   2.467  -0.295  -4.277
  115   HD13  LEU  13          3HD1      LEU  13   1.170   0.480  -5.186
  116   HD21  LEU  13          3HD2      LEU  13   1.629   3.364  -4.218
  117   HD22  LEU  13          1HD2      LEU  13   1.350   2.822  -5.873
  118   HD23  LEU  13          2HD2      LEU  13   2.789   3.764  -5.486
  119    H    LYS  14           H        LYS  14   6.849   2.005  -4.464
  120    HA   LYS  14           HA       LYS  14   6.793   0.939  -7.099
  121    HB2  LYS  14           2HB      LYS  14   9.006   2.388  -5.640
  122    HB3  LYS  14           3HB      LYS  14   8.958   2.095  -7.371
  123    HG2  LYS  14           2HG      LYS  14   7.090   3.542  -7.645
  124    HG3  LYS  14           3HG      LYS  14   6.863   3.670  -5.899
  125    HD2  LYS  14           2HD      LYS  14   9.079   4.752  -5.727
  126    HD3  LYS  14           3HD      LYS  14   9.218   4.690  -7.487
  127    HE2  LYS  14           2HE      LYS  14   7.298   6.125  -7.731
  128    HE3  LYS  14           3HE      LYS  14   7.012   6.099  -5.991
  129    HZ1  LYS  14           3HZ      LYS  14   9.373   7.270  -7.366
  130    HZ2  LYS  14           1HZ      LYS  14   9.176   7.181  -5.683
  131    HZ3  LYS  14           2HZ      LYS  14   8.122   8.129  -6.608
  132    H    ASN  15           H        ASN  15   7.933  -0.325  -4.184
  133    HA   ASN  15           HA       ASN  15  10.083  -1.910  -5.269
  134    HB2  ASN  15           2HB      ASN  15   9.675  -1.098  -2.798
  135    HB3  ASN  15           3HB      ASN  15   8.690  -2.553  -2.691
  136   HD21  ASN  15          1HD2      ASN  15  11.818  -1.247  -2.716
  137   HD22  ASN  15          2HD2      ASN  15  12.702  -2.730  -2.567
  138    H    ILE  16           H        ILE  16   6.691  -2.092  -5.024
  139    HA   ILE  16           HA       ILE  16   6.528  -4.976  -5.283
  140    HB   ILE  16           HB       ILE  16   4.346  -2.876  -5.413
  141   HG12  ILE  16          2HG1      ILE  16   5.260  -4.627  -3.116
  142   HG13  ILE  16          3HG1      ILE  16   5.504  -2.890  -3.244
  143   HG21  ILE  16          1HG2      ILE  16   4.181  -5.874  -5.098
  144   HG22  ILE  16          2HG2      ILE  16   3.672  -4.933  -6.501
  145   HG23  ILE  16          3HG2      ILE  16   2.820  -4.755  -4.967
  146   HD11  ILE  16          3HD1      ILE  16   3.078  -2.555  -3.161
  147   HD12  ILE  16          1HD1      ILE  16   3.688  -3.397  -1.734
  148   HD13  ILE  16          2HD1      ILE  16   2.857  -4.298  -3.001
  149    HA   PRO  17           HA       PRO  17   6.928  -5.078  -9.714
  150    HB2  PRO  17           2HB      PRO  17   5.181  -7.230 -10.094
  151    HB3  PRO  17           3HB      PRO  17   6.916  -7.349  -9.783
  152    HG2  PRO  17           2HG      PRO  17   4.628  -7.606  -7.886
  153    HG3  PRO  17           3HG      PRO  17   6.154  -8.507  -7.933
  154    HD2  PRO  17           2HD      PRO  17   5.754  -6.576  -6.136
  155    HD3  PRO  17           3HD      PRO  17   7.340  -6.782  -6.907
  156    H    PHE  18           H        PHE  18   5.891  -4.078 -11.329
  157    HA   PHE  18           HA       PHE  18   3.725  -2.450 -10.936
  158    HB2  PHE  18           2HB      PHE  18   5.242  -2.149 -12.801
  159    HB3  PHE  18           3HB      PHE  18   4.691  -3.654 -13.533
  160    HD1  PHE  18           HD2      PHE  18   3.519  -0.282 -12.505
  161    HD2  PHE  18           HD1      PHE  18   2.925  -3.648 -15.034
  162    HE1  PHE  18           HE2      PHE  18   1.787   0.953 -13.734
  163    HE2  PHE  18           HE1      PHE  18   1.182  -2.421 -16.261
  164    HZ   PHE  18           HZ       PHE  18   0.612  -0.117 -15.614
  165    H    PHE  19           H        PHE  19   3.698  -5.720 -12.267
  166    HA   PHE  19           HA       PHE  19   1.070  -5.793 -13.187
  167    HB2  PHE  19           2HB      PHE  19   2.667  -7.511 -13.768
  168    HB3  PHE  19           3HB      PHE  19   2.818  -7.998 -12.086
  169    HD1  PHE  19           HD2      PHE  19   0.348  -7.776 -14.858
  170    HD2  PHE  19           HD1      PHE  19   1.503  -9.702 -11.242
  171    HE1  PHE  19           HE2      PHE  19  -1.437  -9.439 -15.179
  172    HE2  PHE  19           HE1      PHE  19  -0.280 -11.371 -11.557
  173    HZ   PHE  19           HZ       PHE  19  -1.753 -11.239 -13.527
  174    H    ALA  20           H        ALA  20   2.330  -6.195  -9.935
  175    HA   ALA  20           HA       ALA  20  -0.413  -6.714  -8.982
  176    HB1  ALA  20           3HB      ALA  20   1.191  -8.509  -8.484
  177    HB2  ALA  20           1HB      ALA  20   0.566  -7.753  -7.020
  178    HB3  ALA  20           2HB      ALA  20   2.187  -7.357  -7.593
  179    H    ARG  21           H        ARG  21   1.676  -4.257  -9.365
  180    HA   ARG  21           HA       ARG  21   1.786  -3.115  -6.769
  181    HB2  ARG  21           2HB      ARG  21   3.450  -2.569  -8.482
  182    HB3  ARG  21           3HB      ARG  21   2.204  -1.815  -9.468
  183    HG2  ARG  21           2HG      ARG  21   1.969  -0.014  -8.016
  184    HG3  ARG  21           3HG      ARG  21   2.749  -0.865  -6.684
  185    HD2  ARG  21           2HD      ARG  21   4.247   0.812  -7.539
  186    HD3  ARG  21           3HD      ARG  21   4.881  -0.785  -7.927
  187    HE   ARG  21           HE       ARG  21   4.535  -0.365 -10.173
  188   HH11  ARG  21          1HH1      ARG  21   3.119   2.193  -8.258
  189   HH12  ARG  21          2HH1      ARG  21   3.042   3.319  -9.580
  190   HH21  ARG  21          1HH2      ARG  21   4.474   1.113 -11.902
  191   HH22  ARG  21          2HH2      ARG  21   3.812   2.700 -11.651
  192    H    SER  22           H        SER  22  -0.243  -2.442  -9.610
  193    HA   SER  22           HA       SER  22  -1.778  -0.408  -8.419
  194    HB2  SER  22           2HB      SER  22  -2.610  -2.364 -10.579
  195    HB3  SER  22           3HB      SER  22  -3.357  -0.799 -10.241
  196    HG   SER  22           HG       SER  22  -1.318   0.168 -10.743
  197    H    GLN  23           H        GLN  23  -2.069  -3.893  -8.464
  198    HA   GLN  23           HA       GLN  23  -4.633  -4.067  -7.278
  199    HB2  GLN  23           2HB      GLN  23  -3.715  -5.907  -8.548
  200    HB3  GLN  23           3HB      GLN  23  -2.348  -6.035  -7.454
  201    HG2  GLN  23           2HG      GLN  23  -3.792  -6.786  -5.674
  202    HG3  GLN  23           3HG      GLN  23  -5.212  -6.555  -6.695
  203   HE21  GLN  23          1HE2      GLN  23  -5.776  -8.733  -6.450
  204   HE22  GLN  23          2HE2      GLN  23  -4.919  -9.989  -7.287
  205    H    ALA  24           H        ALA  24  -1.337  -4.335  -5.945
  206    HA   ALA  24           HA       ALA  24  -2.128  -4.652  -3.255
  207    HB1  ALA  24           3HB      ALA  24   0.147  -5.138  -4.064
  208    HB2  ALA  24           1HB      ALA  24   0.146  -4.050  -2.673
  209    HB3  ALA  24           2HB      ALA  24   0.419  -3.411  -4.295
  210    H    LYS  25           H        LYS  25  -1.368  -1.774  -5.184
  211    HA   LYS  25           HA       LYS  25  -1.570   0.168  -3.207
  212    HB2  LYS  25           2HB      LYS  25  -0.764   0.752  -5.377
  213    HB3  LYS  25           3HB      LYS  25  -2.259   0.236  -6.142
  214    HG2  LYS  25           2HG      LYS  25  -3.449   2.082  -5.132
  215    HG3  LYS  25           3HG      LYS  25  -1.989   2.572  -4.269
  216    HD2  LYS  25           2HD      LYS  25  -0.880   3.136  -6.294
  217    HD3  LYS  25           3HD      LYS  25  -2.146   2.387  -7.268
  218    HE2  LYS  25           2HE      LYS  25  -2.481   4.810  -5.505
  219    HE3  LYS  25           3HE      LYS  25  -2.321   4.831  -7.263
  220    HZ1  LYS  25           3HZ      LYS  25  -4.585   4.915  -6.959
  221    HZ2  LYS  25           1HZ      LYS  25  -4.575   3.883  -5.610
  222    HZ3  LYS  25           2HZ      LYS  25  -4.343   3.254  -7.176
  223    H    ALA  26           H        ALA  26  -4.112  -1.309  -5.184
  224    HA   ALA  26           HA       ALA  26  -6.275   0.190  -4.252
  225    HB1  ALA  26           3HB      ALA  26  -6.442  -1.303  -6.174
  226    HB2  ALA  26           1HB      ALA  26  -7.676  -1.682  -4.973
  227    HB3  ALA  26           2HB      ALA  26  -6.243  -2.700  -5.115
  228    H    ARG  27           H        ARG  27  -4.723  -2.696  -2.923
  229    HA   ARG  27           HA       ARG  27  -6.575  -2.924  -0.750
  230    HB2  ARG  27           2HB      ARG  27  -3.880  -4.175  -1.244
  231    HB3  ARG  27           3HB      ARG  27  -4.825  -4.490   0.200
  232    HG2  ARG  27           2HG      ARG  27  -6.644  -4.968  -1.782
  233    HG3  ARG  27           3HG      ARG  27  -5.134  -5.525  -2.510
  234    HD2  ARG  27           2HD      ARG  27  -6.159  -7.374  -1.360
  235    HD3  ARG  27           3HD      ARG  27  -4.722  -6.884  -0.461
  236    HE   ARG  27           HE       ARG  27  -7.135  -5.634   0.474
  237   HH11  ARG  27          1HH1      ARG  27  -5.216  -8.562   0.676
  238   HH12  ARG  27          2HH1      ARG  27  -5.720  -8.936   2.297
  239   HH21  ARG  27          1HH2      ARG  27  -7.859  -6.159   2.567
  240   HH22  ARG  27          2HH2      ARG  27  -7.262  -7.583   3.355
  241    H    ILE  28           H        ILE  28  -3.456  -1.355  -1.195
  242    HA   ILE  28           HA       ILE  28  -2.908  -0.787   1.509
  243    HB   ILE  28           HB       ILE  28  -2.144   0.829  -0.933
  244   HG12  ILE  28          2HG1      ILE  28  -0.503  -1.186   0.603
  245   HG13  ILE  28          3HG1      ILE  28  -1.401  -1.581  -0.856
  246   HG21  ILE  28          1HG2      ILE  28  -0.344   1.733   0.480
  247   HG22  ILE  28          2HG2      ILE  28  -1.010   0.867   1.866
  248   HG23  ILE  28          3HG2      ILE  28  -1.942   2.154   1.099
  249   HD11  ILE  28          3HD1      ILE  28   0.927  -1.204  -1.364
  250   HD12  ILE  28          1HD1      ILE  28   0.851   0.399  -0.636
  251   HD13  ILE  28          2HD1      ILE  28  -0.067   0.054  -2.102
  252    H    GLU  29           H        GLU  29  -4.459   1.232  -0.988
  253    HA   GLU  29           HA       GLU  29  -5.161   3.306   0.817
  254    HB2  GLU  29           2HB      GLU  29  -6.393   2.623  -1.869
  255    HB3  GLU  29           3HB      GLU  29  -6.563   4.153  -1.016
  256    HG2  GLU  29           2HG      GLU  29  -4.106   4.447  -1.163
  257    HG3  GLU  29           3HG      GLU  29  -4.028   2.991  -2.148
  258    H    GLN  30           H        GLN  30  -6.610   0.290  -0.082
  259    HA   GLN  30           HA       GLN  30  -9.179   0.646   1.030
  260    HB2  GLN  30           2HB      GLN  30  -8.611  -1.248  -0.411
  261    HB3  GLN  30           3HB      GLN  30  -7.469  -1.841   0.785
  262    HG2  GLN  30           2HG      GLN  30  -9.356  -2.177   2.350
  263    HG3  GLN  30           3HG      GLN  30 -10.461  -1.704   1.058
  264   HE21  GLN  30          1HE2      GLN  30 -10.720  -3.077  -0.726
  265   HE22  GLN  30          2HE2      GLN  30 -10.233  -4.740  -0.681
  266    H    LEU  31           H        LEU  31  -6.156  -0.629   2.390
  267    HA   LEU  31           HA       LEU  31  -7.098  -1.214   4.962
  268    HB2  LEU  31           2HB      LEU  31  -4.330  -0.414   4.053
  269    HB3  LEU  31           3HB      LEU  31  -4.704  -1.080   5.631
  270    HG   LEU  31           HG       LEU  31  -5.233  -2.553   3.052
  271   HD11  LEU  31          1HD1      LEU  31  -2.836  -2.120   3.267
  272   HD12  LEU  31          2HD1      LEU  31  -3.203  -3.827   3.522
  273   HD13  LEU  31          3HD1      LEU  31  -2.861  -2.783   4.903
  274   HD21  LEU  31          3HD2      LEU  31  -5.054  -3.503   5.911
  275   HD22  LEU  31          1HD2      LEU  31  -5.398  -4.499   4.500
  276   HD23  LEU  31          2HD2      LEU  31  -6.550  -3.262   5.008
  277    H    ALA  32           H        ALA  32  -5.799   1.781   3.606
  278    HA   ALA  32           HA       ALA  32  -5.734   3.137   6.125
  279    HB1  ALA  32           3HB      ALA  32  -4.245   3.761   4.307
  280    HB2  ALA  32           1HB      ALA  32  -5.230   5.131   4.830
  281    HB3  ALA  32           2HB      ALA  32  -5.629   4.271   3.341
  282    H    ARG  33           H        ARG  33  -8.025   3.038   3.409
  283    HA   ARG  33           HA       ARG  33  -9.804   4.943   4.574
  284    HB2  ARG  33           2HB      ARG  33 -10.264   2.850   2.438
  285    HB3  ARG  33           3HB      ARG  33 -11.466   4.043   2.920
  286    HG2  ARG  33           2HG      ARG  33  -9.847   5.829   2.298
  287    HG3  ARG  33           3HG      ARG  33  -8.781   4.573   1.669
  288    HD2  ARG  33           2HD      ARG  33 -11.602   5.052   0.729
  289    HD3  ARG  33           3HD      ARG  33 -10.164   5.688  -0.065
  290    HE   ARG  33           HE       ARG  33 -10.194   2.823   0.282
  291   HH11  ARG  33          1HH1      ARG  33 -10.987   5.519  -1.808
  292   HH12  ARG  33          2HH1      ARG  33 -11.055   4.558  -3.252
  293   HH21  ARG  33          1HH2      ARG  33 -10.278   1.545  -1.625
  294   HH22  ARG  33          2HH2      ARG  33 -10.656   2.300  -3.144
  295    H    GLN  34           H        GLN  34  -9.186   1.610   5.054
  296    HA   GLN  34           HA       GLN  34 -11.598   0.956   6.446
  297    HB2  GLN  34           2HB      GLN  34  -9.865  -0.633   5.399
  298    HB3  GLN  34           3HB      GLN  34  -8.896  -0.332   6.832
  299    HG2  GLN  34           2HG      GLN  34 -10.741  -1.186   8.223
  300    HG3  GLN  34           3HG      GLN  34 -11.638  -1.559   6.751
  301   HE21  GLN  34          1HE2      GLN  34  -9.068  -2.262   5.392
  302   HE22  GLN  34          2HE2      GLN  34  -8.687  -3.847   5.966
  303    H    ALA  35           H        ALA  35  -8.490   2.327   7.260
  304    HA   ALA  35           HA       ALA  35  -9.044   2.408  10.107
  305    HB1  ALA  35           3HB      ALA  35  -6.864   3.502  10.281
  306    HB2  ALA  35           1HB      ALA  35  -6.764   3.596   8.521
  307    HB3  ALA  35           2HB      ALA  35  -6.759   2.025   9.324
  308    H    GLU  36           H        GLU  36  -9.887   4.164   7.422
  309    HA   GLU  36           HA       GLU  36 -11.048   6.076   7.096
  310    HB2  GLU  36           2HB      GLU  36 -11.271   6.047  10.112
  311    HB3  GLU  36           3HB      GLU  36 -12.201   7.090   9.041
  312    HG2  GLU  36           2HG      GLU  36 -13.240   5.157   8.015
  313    HG3  GLU  36           3HG      GLU  36 -12.272   4.081   9.021
  314    H    GLN  37           H        GLN  37  -8.471   6.420   6.783
  315    HA   GLN  37           HA       GLN  37  -8.014   9.111   7.854
  316    HB2  GLN  37           2HB      GLN  37  -5.638   8.616   8.219
  317    HB3  GLN  37           3HB      GLN  37  -6.660   7.597   9.223
  318    HG2  GLN  37           2HG      GLN  37  -6.399   5.816   7.450
  319    HG3  GLN  37           3HG      GLN  37  -5.138   6.836   6.752
  320   HE21  GLN  37          1HE2      GLN  37  -3.502   5.380   7.140
  321   HE22  GLN  37          2HE2      GLN  37  -2.921   5.021   8.728
  322    H    ASP  38           H        ASP  38  -6.106  10.154   6.572
  323    HA   ASP  38           HA       ASP  38  -6.779   9.736   3.748
  324    HB2  ASP  38           2HB      ASP  38  -5.313  12.022   5.088
  325    HB3  ASP  38           3HB      ASP  38  -5.732  11.945   3.381
  326    H    ILE  39           H        ILE  39  -4.177   9.423   5.980
  327    HA   ILE  39           HA       ILE  39  -2.196   9.390   3.821
  328    HB   ILE  39           HB       ILE  39  -1.723   9.543   6.801
  329   HG12  ILE  39          2HG1      ILE  39  -1.564  11.780   4.776
  330   HG13  ILE  39          3HG1      ILE  39  -2.971  11.496   5.794
  331   HG21  ILE  39          1HG2      ILE  39   0.173   8.638   5.589
  332   HG22  ILE  39          2HG2      ILE  39   0.536  10.273   6.145
  333   HG23  ILE  39          3HG2      ILE  39   0.118   9.988   4.456
  334   HD11  ILE  39          3HD1      ILE  39  -0.200  12.104   6.791
  335   HD12  ILE  39          1HD1      ILE  39  -1.649  11.896   7.776
  336   HD13  ILE  39          2HD1      ILE  39  -1.527  13.260   6.663
  337    H    VAL  40           H        VAL  40  -0.991   7.619   3.372
  338    HA   VAL  40           HA       VAL  40  -1.555   5.191   4.938
  339    HB   VAL  40           HB       VAL  40  -0.921   3.869   3.048
  340   HG11  VAL  40          1HG1      VAL  40  -3.199   4.631   2.978
  341   HG12  VAL  40          2HG1      VAL  40  -2.553   4.599   1.337
  342   HG13  VAL  40          3HG1      VAL  40  -2.712   6.133   2.193
  343   HG21  VAL  40          3HG2      VAL  40  -0.138   4.784   0.943
  344   HG22  VAL  40          1HG2      VAL  40   0.945   5.250   2.255
  345   HG23  VAL  40          2HG2      VAL  40  -0.212   6.417   1.606
  346    H    THR  41           H        THR  41   0.092   4.003   5.801
  347    HA   THR  41           HA       THR  41   2.725   5.280   5.777
  348    HB   THR  41           HB       THR  41   3.136   3.837   7.809
  349    HG1  THR  41           HG1      THR  41   1.422   2.789   8.731
  350   HG21  THR  41          3HG2      THR  41   0.841   5.793   7.931
  351   HG22  THR  41          1HG2      THR  41   2.556   6.184   8.049
  352   HG23  THR  41          2HG2      THR  41   1.778   5.235   9.315
  353    HA   PRO  42           HA       PRO  42   4.785   2.060   3.545
  354    HB2  PRO  42           2HB      PRO  42   6.567   1.780   5.913
  355    HB3  PRO  42           3HB      PRO  42   6.981   2.024   4.214
  356    HG2  PRO  42           2HG      PRO  42   7.135   4.022   5.986
  357    HG3  PRO  42           3HG      PRO  42   6.629   4.297   4.310
  358    HD2  PRO  42           2HD      PRO  42   5.010   4.277   6.798
  359    HD3  PRO  42           3HD      PRO  42   4.766   5.180   5.293
  360    H    GLU  43           H        GLU  43   4.001   1.469   6.937
  361    HA   GLU  43           HA       GLU  43   4.335  -1.315   6.956
  362    HB2  GLU  43           2HB      GLU  43   2.640   0.552   8.589
  363    HB3  GLU  43           3HB      GLU  43   2.544  -1.187   8.820
  364    HG2  GLU  43           2HG      GLU  43   4.028  -0.187  10.437
  365    HG3  GLU  43           3HG      GLU  43   4.922  -1.253   9.356
  366    H    LEU  44           H        LEU  44   1.504   0.680   6.159
  367    HA   LEU  44           HA       LEU  44  -0.236  -1.514   5.707
  368    HB2  LEU  44           2HB      LEU  44  -0.305   1.395   5.051
  369    HB3  LEU  44           3HB      LEU  44  -1.424   0.327   4.226
  370    HG   LEU  44           HG       LEU  44  -2.290  -0.421   6.428
  371   HD11  LEU  44          1HD1      LEU  44  -0.327   0.034   7.796
  372   HD12  LEU  44          2HD1      LEU  44  -1.749   0.860   8.430
  373   HD13  LEU  44          3HD1      LEU  44  -0.533   1.765   7.529
  374   HD21  LEU  44          3HD2      LEU  44  -3.546   1.597   6.911
  375   HD22  LEU  44          1HD2      LEU  44  -3.403   1.347   5.171
  376   HD23  LEU  44          2HD2      LEU  44  -2.396   2.552   5.974
  377    H    VAL  45           H        VAL  45   1.976   0.290   3.646
  378    HA   VAL  45           HA       VAL  45   1.246  -0.928   1.199
  379    HB   VAL  45           HB       VAL  45   3.975   0.080   2.028
  380   HG11  VAL  45          1HG1      VAL  45   2.817  -0.379  -0.720
  381   HG12  VAL  45          2HG1      VAL  45   4.044  -1.372   0.065
  382   HG13  VAL  45          3HG1      VAL  45   4.406   0.300  -0.363
  383   HG21  VAL  45          3HG2      VAL  45   2.265   1.805   2.263
  384   HG22  VAL  45          1HG2      VAL  45   1.735   1.516   0.605
  385   HG23  VAL  45          2HG2      VAL  45   3.346   2.165   0.916
  386    H    GLU  46           H        GLU  46   3.669  -1.727   3.642
  387    HA   GLU  46           HA       GLU  46   4.705  -4.043   2.465
  388    HB2  GLU  46           2HB      GLU  46   5.573  -2.761   4.494
  389    HB3  GLU  46           3HB      GLU  46   4.354  -3.608   5.436
  390    HG2  GLU  46           2HG      GLU  46   6.468  -4.711   5.678
  391    HG3  GLU  46           3HG      GLU  46   5.369  -5.748   4.770
  392    H    GLN  47           H        GLN  47   2.009  -3.585   4.717
  393    HA   GLN  47           HA       GLN  47   1.279  -6.224   5.127
  394    HB2  GLN  47           2HB      GLN  47  -0.174  -3.627   5.208
  395    HB3  GLN  47           3HB      GLN  47  -1.116  -5.108   5.295
  396    HG2  GLN  47           2HG      GLN  47   1.226  -4.676   7.099
  397    HG3  GLN  47           3HG      GLN  47  -0.349  -3.981   7.476
  398   HE21  GLN  47          1HE2      GLN  47  -0.168  -7.001   5.786
  399   HE22  GLN  47          2HE2      GLN  47  -0.678  -8.002   7.100
  400    H    ALA  48           H        ALA  48   0.355  -4.066   2.476
  401    HA   ALA  48           HA       ALA  48  -1.493  -5.823   1.274
  402    HB1  ALA  48           3HB      ALA  48  -1.369  -3.442   0.730
  403    HB2  ALA  48           1HB      ALA  48  -1.248  -4.449  -0.713
  404    HB3  ALA  48           2HB      ALA  48   0.199  -3.702  -0.034
  405    H    ARG  49           H        ARG  49   2.004  -5.466   0.950
  406    HA   ARG  49           HA       ARG  49   2.200  -7.360  -1.193
  407    HB2  ARG  49           2HB      ARG  49   3.879  -5.584  -0.872
  408    HB3  ARG  49           3HB      ARG  49   4.343  -6.305   0.665
  409    HG2  ARG  49           2HG      ARG  49   5.212  -8.238  -0.413
  410    HG3  ARG  49           3HG      ARG  49   4.528  -7.749  -1.964
  411    HD2  ARG  49           2HD      ARG  49   6.950  -7.342  -1.830
  412    HD3  ARG  49           3HD      ARG  49   6.026  -5.865  -2.079
  413    HE   ARG  49           HE       ARG  49   6.439  -6.165   0.675
  414   HH11  ARG  49          1HH1      ARG  49   8.336  -5.677  -2.226
  415   HH12  ARG  49          2HH1      ARG  49   9.552  -4.726  -1.430
  416   HH21  ARG  49          1HH2      ARG  49   8.025  -4.904   1.735
  417   HH22  ARG  49          2HH2      ARG  49   9.381  -4.283   0.823
  418    H    LEU  50           H        LEU  50   2.418  -7.425   2.292
  419    HA   LEU  50           HA       LEU  50   3.342 -10.045   2.659
  420    HB2  LEU  50           2HB      LEU  50   2.757  -8.026   4.312
  421    HB3  LEU  50           3HB      LEU  50   1.276  -8.943   4.497
  422    HG   LEU  50           HG       LEU  50   2.903  -9.439   6.265
  423   HD11  LEU  50          1HD1      LEU  50   1.329 -11.176   5.662
  424   HD12  LEU  50          2HD1      LEU  50   2.886 -11.886   6.092
  425   HD13  LEU  50          3HD1      LEU  50   2.413 -11.753   4.395
  426   HD21  LEU  50          3HD2      LEU  50   4.938  -9.037   4.992
  427   HD22  LEU  50          1HD2      LEU  50   4.629 -10.477   4.022
  428   HD23  LEU  50          2HD2      LEU  50   4.967 -10.631   5.747
  429    H    GLU  51           H        GLU  51   0.053  -8.750   2.338
  430    HA   GLU  51           HA       GLU  51  -1.393 -11.114   2.614
  431    HB2  GLU  51           2HB      GLU  51  -1.957  -8.620   1.008
  432    HB3  GLU  51           3HB      GLU  51  -3.122  -9.925   1.183
  433    HG2  GLU  51           2HG      GLU  51  -1.916  -8.495   3.532
  434    HG3  GLU  51           3HG      GLU  51  -3.392  -7.956   2.732
  435    H    PHE  52           H        PHE  52  -0.045  -9.641  -0.339
  436    HA   PHE  52           HA       PHE  52  -0.957 -11.853  -1.946
  437    HB2  PHE  52           2HB      PHE  52   0.770  -9.466  -2.611
  438    HB3  PHE  52           3HB      PHE  52   0.321 -10.703  -3.783
  439    HD1  PHE  52           HD2      PHE  52  -2.359 -11.278  -3.538
  440    HD2  PHE  52           HD1      PHE  52  -0.464  -7.544  -2.785
  441    HE1  PHE  52           HE2      PHE  52  -4.491 -10.119  -3.936
  442    HE2  PHE  52           HE1      PHE  52  -2.596  -6.380  -3.172
  443    HZ   PHE  52           HZ       PHE  52  -4.611  -7.668  -3.752
  444    H    GLY  53           H        GLY  53   1.752 -11.273   0.007
  445    HA2  GLY  53           2HA      GLY  53   3.492 -13.186  -1.222
  446    HA3  GLY  53           3HA      GLY  53   3.568 -12.631   0.450
  447    H    GLN  54           H        GLN  54   0.802 -13.280   0.968
  448    HA   GLN  54           HA       GLN  54   0.995 -16.158   1.377
  449    HB2  GLN  54           2HB      GLN  54  -1.121 -14.174   2.246
  450    HB3  GLN  54           3HB      GLN  54  -1.026 -15.854   2.749
  451    HG2  GLN  54           2HG      GLN  54   0.979 -15.455   3.969
  452    HG3  GLN  54           3HG      GLN  54   1.117 -13.827   3.309
  453   HE21  GLN  54          1HE2      GLN  54  -1.742 -13.298   3.568
  454   HE22  GLN  54          2HE2      GLN  54  -2.027 -13.030   5.249
  455    H    LEU  55           H        LEU  55  -0.246 -13.986  -0.861
  456    HA   LEU  55           HA       LEU  55  -1.645 -14.098  -2.641
  457    HB2  LEU  55           2HB      LEU  55  -1.382 -17.047  -2.110
  458    HB3  LEU  55           3HB      LEU  55  -2.418 -16.428  -3.377
  459    HG   LEU  55           HG       LEU  55  -0.399 -17.083  -4.413
  460   HD11  LEU  55          1HD1      LEU  55  -0.368 -14.099  -4.031
  461   HD12  LEU  55          2HD1      LEU  55  -1.273 -14.996  -5.250
  462   HD13  LEU  55          3HD1      LEU  55   0.490 -14.974  -5.299
  463   HD21  LEU  55          3HD2      LEU  55   1.018 -17.216  -2.447
  464   HD22  LEU  55          1HD2      LEU  55   1.067 -15.456  -2.347
  465   HD23  LEU  55          2HD2      LEU  55   1.800 -16.281  -3.722
  466    H    GLU  56           H        GLU  56  -2.768 -13.285  -0.409
  467    HA   GLU  56           HA       GLU  56  -4.773 -12.839   0.530
  468    HB2  GLU  56           2HB      GLU  56  -5.732 -14.568  -1.738
  469    HB3  GLU  56           3HB      GLU  56  -6.842 -13.934  -0.530
  470    HG2  GLU  56           2HG      GLU  56  -5.015 -12.220  -2.190
  471    HG3  GLU  56           3HG      GLU  56  -6.689 -12.586  -2.614
  472    H    HIS  57           H        HIS  57  -5.170 -13.509   2.488
  473    HA   HIS  57           HA       HIS  57  -4.819 -16.294   3.205
  474    HB2  HIS  57           2HB      HIS  57  -4.030 -14.416   4.667
  475    HB3  HIS  57           3HB      HIS  57  -5.712 -13.984   4.953
  476    HD1  HIS  57           HD1      HIS  57  -6.754 -15.025   6.960
  477    HD2  HIS  57           HD2      HIS  57  -3.462 -17.181   5.613
  478    HE1  HIS  57           HE1      HIS  57  -6.407 -16.862   8.642
  479    HE2  HIS  57           HE2      HIS  57  -4.534 -18.262   7.707
  480    H    HIS  58           H        HIS  58  -7.252 -14.584   1.883
  481    HA   HIS  58           HA       HIS  58  -9.363 -15.167   1.292
  482    HB2  HIS  58           2HB      HIS  58  -8.318 -17.586   2.078
  483    HB3  HIS  58           3HB      HIS  58  -9.743 -17.440   3.101
  484    HD1  HIS  58           HD1      HIS  58  -8.689 -17.731  -0.481
  485    HD2  HIS  58           HD2      HIS  58 -12.182 -17.686   1.784
  486    HE1  HIS  58           HE1      HIS  58 -10.519 -18.496  -2.033
  487    HE2  HIS  58           HE2      HIS  58 -12.640 -18.337  -0.679
  488    H    HIS  59           H        HIS  59  -8.733 -15.672   4.735
  489    HA   HIS  59           HA       HIS  59 -10.999 -13.876   5.312
  490    HB2  HIS  59           2HB      HIS  59  -9.960 -16.168   6.996
  491    HB3  HIS  59           3HB      HIS  59 -11.176 -15.012   7.525
  492    HD1  HIS  59           HD1      HIS  59 -13.569 -15.341   6.681
  493    HD2  HIS  59           HD2      HIS  59 -10.841 -18.054   5.092
  494    HE1  HIS  59           HE1      HIS  59 -14.948 -17.111   5.543
  495    HE2  HIS  59           HE2      HIS  59 -13.285 -18.847   4.792
  496    H    HIS  60           H        HIS  60 -10.524 -12.091   6.467
  497    HA   HIS  60           HA       HIS  60  -8.117 -12.012   8.095
  498    HB2  HIS  60           2HB      HIS  60  -7.483 -11.318   5.728
  499    HB3  HIS  60           3HB      HIS  60  -8.509  -9.908   5.961
  500    HD1  HIS  60           HD1      HIS  60  -5.741 -11.513   8.064
  501    HD2  HIS  60           HD2      HIS  60  -6.935  -7.805   6.603
  502    HE1  HIS  60           HE1      HIS  60  -4.024  -9.875   8.891
  503    HE2  HIS  60           HE2      HIS  60  -4.861  -7.618   8.152
  504    H    HIS  61           H        HIS  61 -10.467 -12.108   9.133
  505    HA   HIS  61           HA       HIS  61 -10.727  -9.643  10.542
  506    HB2  HIS  61           2HB      HIS  61 -12.137  -9.467   8.296
  507    HB3  HIS  61           3HB      HIS  61 -13.288 -10.439   9.205
  508    HD1  HIS  61           HD1      HIS  61 -14.177  -9.307  11.499
  509    HD2  HIS  61           HD2      HIS  61 -12.155  -6.804   8.861
  510    HE1  HIS  61           HE1      HIS  61 -14.796  -6.964  12.174
  511    HE2  HIS  61           HE2      HIS  61 -13.663  -5.471  10.484
  512    H    HIS  62           H        HIS  62 -12.522 -12.559   9.614
  513    HA   HIS  62           HA       HIS  62 -12.859 -13.214  12.455
  514    HB2  HIS  62           2HB      HIS  62 -14.407 -13.917   9.995
  515    HB3  HIS  62           3HB      HIS  62 -14.386 -15.068  11.327
  516    HD1  HIS  62           HD1      HIS  62 -16.000 -11.990  10.177
  517    HD2  HIS  62           HD2      HIS  62 -15.466 -13.999  13.780
  518    HE1  HIS  62           HE1      HIS  62 -17.695 -11.013  11.762
  519    HE2  HIS  62           HE2      HIS  62 -17.310 -12.197  13.956
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1  -8.340   6.112  -7.317
    2    H2   MET   1           2H       MET   1  -9.778   5.952  -6.434
    3    H3   MET   1           3H       MET   1  -8.333   5.308  -5.826
    4    HA   MET   1           HA       MET   1  -8.891   8.185  -6.262
    5    HB2  MET   1           2HB      MET   1  -8.729   6.536  -3.732
    6    HB3  MET   1           3HB      MET   1  -8.741   8.293  -3.759
    7    HG2  MET   1           2HG      MET   1 -10.949   8.268  -4.783
    8    HG3  MET   1           3HG      MET   1 -10.939   6.503  -4.769
    9    HE1  MET   1           3HE      MET   1 -13.575   7.476  -2.010
   10    HE2  MET   1           1HE      MET   1 -13.307   6.625  -3.532
   11    HE3  MET   1           2HE      MET   1 -13.242   8.387  -3.484
   12    H    ASN   2           H        ASN   2  -7.254   9.456  -4.887
   13    HA   ASN   2           HA       ASN   2  -4.647   8.104  -4.747
   14    HB2  ASN   2           2HB      ASN   2  -5.274  10.765  -5.996
   15    HB3  ASN   2           3HB      ASN   2  -3.691  10.468  -5.285
   16   HD21  ASN   2          1HD2      ASN   2  -4.443  10.977  -8.053
   17   HD22  ASN   2          2HD2      ASN   2  -3.859   9.622  -8.963
   18    H    LEU   3           H        LEU   3  -4.700   7.819  -2.587
   19    HA   LEU   3           HA       LEU   3  -5.505   9.937  -0.802
   20    HB2  LEU   3           2HB      LEU   3  -4.287   7.226  -0.292
   21    HB3  LEU   3           3HB      LEU   3  -4.736   8.344   0.981
   22    HG   LEU   3           HG       LEU   3  -6.591   7.006  -0.984
   23   HD11  LEU   3          1HD1      LEU   3  -5.855   5.565   0.816
   24   HD12  LEU   3          2HD1      LEU   3  -7.547   6.006   1.039
   25   HD13  LEU   3          3HD1      LEU   3  -6.297   6.787   2.006
   26   HD21  LEU   3          3HD2      LEU   3  -7.313   9.304  -0.568
   27   HD22  LEU   3          1HD2      LEU   3  -7.240   9.017   1.169
   28   HD23  LEU   3          2HD2      LEU   3  -8.409   8.141   0.177
   29    H    ARG   4           H        ARG   4  -3.865  10.088   1.230
   30    HA   ARG   4           HA       ARG   4  -1.581  11.470   0.127
   31    HB2  ARG   4           2HB      ARG   4  -2.390  11.071   3.010
   32    HB3  ARG   4           3HB      ARG   4  -1.170  12.196   2.418
   33    HG2  ARG   4           2HG      ARG   4  -2.836  13.456   1.235
   34    HG3  ARG   4           3HG      ARG   4  -4.083  12.290   1.679
   35    HD2  ARG   4           2HD      ARG   4  -3.567  12.820   4.078
   36    HD3  ARG   4           3HD      ARG   4  -2.560  14.142   3.489
   37    HE   ARG   4           HE       ARG   4  -4.691  14.937   2.354
   38   HH11  ARG   4          1HH1      ARG   4  -4.654  13.208   5.409
   39   HH12  ARG   4          2HH1      ARG   4  -6.208  13.801   5.907
   40   HH21  ARG   4          1HH2      ARG   4  -6.749  15.697   3.005
   41   HH22  ARG   4          2HH2      ARG   4  -7.388  15.213   4.549
   42    H    TRP   5           H        TRP   5   0.074  10.342  -0.447
   43    HA   TRP   5           HA       TRP   5   0.802   7.905   1.010
   44    HB2  TRP   5           2HB      TRP   5   1.567   8.930  -1.730
   45    HB3  TRP   5           3HB      TRP   5   2.356   7.554  -0.980
   46    HD1  TRP   5           HD1      TRP   5  -1.293   8.559  -1.904
   47    HE1  TRP   5           HE1      TRP   5  -2.505   6.437  -2.735
   48    HE3  TRP   5           HE3      TRP   5   2.475   5.182  -1.221
   49    HZ2  TRP   5           HZ2      TRP   5  -1.909   3.698  -3.070
   50    HZ3  TRP   5           HZ3      TRP   5   2.074   2.831  -1.821
   51    HH2  TRP   5           HH2      TRP   5  -0.075   2.106  -2.723
   52    H    THR   6           H        THR   6   2.543   7.866   2.294
   53    HA   THR   6           HA       THR   6   4.191  10.211   2.530
   54    HB   THR   6           HB       THR   6   5.335   9.057   4.310
   55    HG1  THR   6           HG1      THR   6   5.215   6.903   4.624
   56   HG21  THR   6          3HG2      THR   6   2.387   8.398   4.374
   57   HG22  THR   6          1HG2      THR   6   3.130   9.916   4.884
   58   HG23  THR   6          2HG2      THR   6   3.461   8.431   5.776
   59    H    SER   7           H        SER   7   6.581  10.119   2.248
   60    HA   SER   7           HA       SER   7   7.300   9.097  -0.261
   61    HB2  SER   7           2HB      SER   7   8.443  10.988   0.933
   62    HB3  SER   7           3HB      SER   7   9.197   9.798   1.990
   63    HG   SER   7           HG       SER   7  10.422  10.536   0.068
   64    H    GLU   8           H        GLU   8   7.673   7.809   2.985
   65    HA   GLU   8           HA       GLU   8   9.249   5.564   2.376
   66    HB2  GLU   8           2HB      GLU   8   7.074   5.494   4.455
   67    HB3  GLU   8           3HB      GLU   8   8.633   4.692   4.478
   68    HG2  GLU   8           2HG      GLU   8   8.870   6.375   6.044
   69    HG3  GLU   8           3HG      GLU   8   9.622   7.060   4.600
   70    H    ALA   9           H        ALA   9   5.740   6.022   2.464
   71    HA   ALA   9           HA       ALA   9   5.017   3.382   1.801
   72    HB1  ALA   9           3HB      ALA   9   2.826   4.308   1.278
   73    HB2  ALA   9           1HB      ALA   9   3.501   5.938   1.296
   74    HB3  ALA   9           2HB      ALA   9   3.454   4.986   2.780
   75    H    LYS  10           H        LYS  10   5.381   6.284  -0.225
   76    HA   LYS  10           HA       LYS  10   4.780   5.133  -2.691
   77    HB2  LYS  10           2HB      LYS  10   6.711   7.362  -2.031
   78    HB3  LYS  10           3HB      LYS  10   6.171   6.967  -3.658
   79    HG2  LYS  10           2HG      LYS  10   3.895   7.511  -3.086
   80    HG3  LYS  10           3HG      LYS  10   4.350   7.783  -1.404
   81    HD2  LYS  10           2HD      LYS  10   4.101   9.896  -2.593
   82    HD3  LYS  10           3HD      LYS  10   5.773   9.648  -2.089
   83    HE2  LYS  10           2HE      LYS  10   6.350   8.899  -4.336
   84    HE3  LYS  10           3HE      LYS  10   4.675   9.111  -4.846
   85    HZ1  LYS  10           3HZ      LYS  10   6.384  11.306  -3.809
   86    HZ2  LYS  10           1HZ      LYS  10   4.845  11.451  -4.510
   87    HZ3  LYS  10           2HZ      LYS  10   6.169  10.973  -5.457
   88    H    THR  11           H        THR  11   7.831   5.220  -0.917
   89    HA   THR  11           HA       THR  11   9.416   4.030  -2.937
   90    HB   THR  11           HB       THR  11   9.842   3.925   0.058
   91    HG1  THR  11           HG1      THR  11   9.735   6.074  -0.526
   92   HG21  THR  11          3HG2      THR  11  11.247   2.355  -1.191
   93   HG22  THR  11          1HG2      THR  11  12.209   3.671  -0.519
   94   HG23  THR  11          2HG2      THR  11  11.792   3.667  -2.234
   95    H    LYS  12           H        LYS  12   7.558   2.696  -0.228
   96    HA   LYS  12           HA       LYS  12   8.306   0.002  -0.547
   97    HB2  LYS  12           2HB      LYS  12   5.770   1.232   0.542
   98    HB3  LYS  12           3HB      LYS  12   6.132  -0.484   0.626
   99    HG2  LYS  12           2HG      LYS  12   7.865   1.657   1.831
  100    HG3  LYS  12           3HG      LYS  12   6.604   0.793   2.709
  101    HD2  LYS  12           2HD      LYS  12   7.751  -1.334   2.192
  102    HD3  LYS  12           3HD      LYS  12   9.040  -0.418   1.406
  103    HE2  LYS  12           2HE      LYS  12   9.525   0.720   3.506
  104    HE3  LYS  12           3HE      LYS  12   8.213  -0.153   4.297
  105    HZ1  LYS  12           3HZ      LYS  12  10.401  -1.127   4.739
  106    HZ2  LYS  12           1HZ      LYS  12  10.610  -1.417   3.084
  107    HZ3  LYS  12           2HZ      LYS  12   9.378  -2.218   3.933
  108    H    LEU  13           H        LEU  13   5.749   1.937  -2.009
  109    HA   LEU  13           HA       LEU  13   4.383  -0.128  -3.337
  110    HB2  LEU  13           2HB      LEU  13   3.520   2.172  -2.999
  111    HB3  LEU  13           3HB      LEU  13   4.684   2.764  -4.169
  112    HG   LEU  13           HG       LEU  13   3.587   1.403  -5.922
  113   HD11  LEU  13          1HD1      LEU  13   2.673  -0.352  -4.502
  114   HD12  LEU  13          2HD1      LEU  13   1.403   0.402  -5.466
  115   HD13  LEU  13          3HD1      LEU  13   1.573   0.809  -3.758
  116   HD21  LEU  13          3HD2      LEU  13   2.961   3.749  -5.580
  117   HD22  LEU  13          1HD2      LEU  13   1.720   3.247  -4.431
  118   HD23  LEU  13          2HD2      LEU  13   1.591   2.784  -6.128
  119    H    LYS  14           H        LYS  14   7.177   1.805  -4.235
  120    HA   LYS  14           HA       LYS  14   7.359   1.000  -6.936
  121    HB2  LYS  14           2HB      LYS  14   9.491   1.971  -5.024
  122    HB3  LYS  14           3HB      LYS  14   9.721   1.785  -6.757
  123    HG2  LYS  14           2HG      LYS  14   8.154   3.502  -7.233
  124    HG3  LYS  14           3HG      LYS  14   7.618   3.561  -5.552
  125    HD2  LYS  14           2HD      LYS  14   9.847   4.334  -4.882
  126    HD3  LYS  14           3HD      LYS  14  10.360   4.302  -6.569
  127    HE2  LYS  14           2HE      LYS  14   8.071   5.957  -5.522
  128    HE3  LYS  14           3HE      LYS  14   9.715   6.561  -5.731
  129    HZ1  LYS  14           3HZ      LYS  14   8.036   5.449  -7.911
  130    HZ2  LYS  14           1HZ      LYS  14   9.570   6.144  -8.080
  131    HZ3  LYS  14           2HZ      LYS  14   8.251   7.100  -7.606
  132    H    ASN  15           H        ASN  15   8.274  -0.510  -3.961
  133    HA   ASN  15           HA       ASN  15  10.082  -2.397  -5.191
  134    HB2  ASN  15           2HB      ASN  15   9.096  -1.938  -2.397
  135    HB3  ASN  15           3HB      ASN  15   9.890  -3.454  -2.801
  136   HD21  ASN  15          1HD2      ASN  15  10.281   0.002  -2.517
  137   HD22  ASN  15          2HD2      ASN  15  12.016   0.003  -2.528
  138    H    ILE  16           H        ILE  16   6.769  -2.122  -4.942
  139    HA   ILE  16           HA       ILE  16   6.198  -4.960  -4.936
  140    HB   ILE  16           HB       ILE  16   4.388  -2.616  -5.578
  141   HG12  ILE  16          2HG1      ILE  16   4.746  -4.194  -3.017
  142   HG13  ILE  16          3HG1      ILE  16   5.275  -2.537  -3.284
  143   HG21  ILE  16          1HG2      ILE  16   2.553  -4.196  -5.156
  144   HG22  ILE  16          2HG2      ILE  16   3.729  -5.498  -4.973
  145   HG23  ILE  16          3HG2      ILE  16   3.547  -4.687  -6.528
  146   HD11  ILE  16          3HD1      ILE  16   3.236  -2.594  -1.991
  147   HD12  ILE  16          1HD1      ILE  16   2.430  -3.516  -3.260
  148   HD13  ILE  16          2HD1      ILE  16   2.940  -1.855  -3.564
  149    HA   PRO  17           HA       PRO  17   7.057  -5.575  -9.262
  150    HB2  PRO  17           2HB      PRO  17   5.312  -7.705  -9.604
  151    HB3  PRO  17           3HB      PRO  17   6.973  -7.833  -9.019
  152    HG2  PRO  17           2HG      PRO  17   4.418  -7.766  -7.473
  153    HG3  PRO  17           3HG      PRO  17   5.873  -8.744  -7.197
  154    HD2  PRO  17           2HD      PRO  17   5.356  -6.579  -5.709
  155    HD3  PRO  17           3HD      PRO  17   7.016  -6.981  -6.198
  156    H    PHE  18           H        PHE  18   6.138  -5.146 -11.234
  157    HA   PHE  18           HA       PHE  18   4.064  -3.298 -11.346
  158    HB2  PHE  18           2HB      PHE  18   5.679  -3.387 -13.109
  159    HB3  PHE  18           3HB      PHE  18   5.275  -5.057 -13.482
  160    HD1  PHE  18           HD1      PHE  18   3.922  -1.601 -13.551
  161    HD2  PHE  18           HD2      PHE  18   3.665  -5.566 -15.076
  162    HE1  PHE  18           HE1      PHE  18   2.331  -0.833 -15.266
  163    HE2  PHE  18           HE2      PHE  18   2.074  -4.810 -16.792
  164    HZ   PHE  18           HZ       PHE  18   1.406  -2.439 -16.892
  165    H    PHE  19           H        PHE  19   3.965  -6.776 -11.644
  166    HA   PHE  19           HA       PHE  19   1.434  -7.030 -12.846
  167    HB2  PHE  19           2HB      PHE  19   2.939  -8.952 -11.062
  168    HB3  PHE  19           3HB      PHE  19   1.504  -9.365 -11.995
  169    HD1  PHE  19           HD1      PHE  19   5.066  -8.535 -12.165
  170    HD2  PHE  19           HD2      PHE  19   1.606  -9.647 -14.378
  171    HE1  PHE  19           HE1      PHE  19   6.482  -9.062 -14.106
  172    HE2  PHE  19           HE2      PHE  19   3.016 -10.176 -16.325
  173    HZ   PHE  19           HZ       PHE  19   5.456  -9.883 -16.188
  174    H    ALA  20           H        ALA  20   2.327  -6.198  -9.639
  175    HA   ALA  20           HA       ALA  20  -0.473  -6.544  -8.786
  176    HB1  ALA  20           3HB      ALA  20   0.946  -8.151  -7.626
  177    HB2  ALA  20           1HB      ALA  20   0.325  -6.941  -6.506
  178    HB3  ALA  20           2HB      ALA  20   1.992  -6.845  -7.072
  179    H    ARG  21           H        ARG  21   1.475  -4.292  -9.819
  180    HA   ARG  21           HA       ARG  21   1.831  -2.421  -7.772
  181    HB2  ARG  21           2HB      ARG  21   2.062  -2.470 -10.670
  182    HB3  ARG  21           3HB      ARG  21   1.529  -0.907 -10.071
  183    HG2  ARG  21           2HG      ARG  21   4.004  -2.382  -9.194
  184    HG3  ARG  21           3HG      ARG  21   3.950  -1.004 -10.294
  185    HD2  ARG  21           2HD      ARG  21   3.465  -1.103  -7.345
  186    HD3  ARG  21           3HD      ARG  21   4.501  -0.018  -8.271
  187    HE   ARG  21           HE       ARG  21   1.665   0.272  -7.766
  188   HH11  ARG  21          1HH1      ARG  21   4.403   1.323  -9.699
  189   HH12  ARG  21          2HH1      ARG  21   3.672   2.839 -10.116
  190   HH21  ARG  21          1HH2      ARG  21   0.718   2.264  -8.335
  191   HH22  ARG  21          2HH2      ARG  21   1.575   3.376  -9.363
  192    H    SER  22           H        SER  22  -0.825  -2.714 -10.128
  193    HA   SER  22           HA       SER  22  -2.196  -0.428  -9.033
  194    HB2  SER  22           2HB      SER  22  -2.419  -1.034 -11.418
  195    HB3  SER  22           3HB      SER  22  -3.179  -2.557 -10.962
  196    HG   SER  22           HG       SER  22  -4.173   0.078 -10.541
  197    H    GLN  23           H        GLN  23  -2.487  -3.929  -8.842
  198    HA   GLN  23           HA       GLN  23  -4.876  -4.109  -7.401
  199    HB2  GLN  23           2HB      GLN  23  -3.848  -6.036  -8.465
  200    HB3  GLN  23           3HB      GLN  23  -2.457  -5.919  -7.399
  201    HG2  GLN  23           2HG      GLN  23  -3.902  -6.423  -5.481
  202    HG3  GLN  23           3HG      GLN  23  -5.275  -6.585  -6.576
  203   HE21  GLN  23          1HE2      GLN  23  -2.271  -7.977  -5.513
  204   HE22  GLN  23          2HE2      GLN  23  -2.504  -9.530  -6.227
  205    H    ALA  24           H        ALA  24  -1.518  -3.865  -6.284
  206    HA   ALA  24           HA       ALA  24  -2.141  -4.066  -3.532
  207    HB1  ALA  24           3HB      ALA  24   0.094  -4.546  -4.385
  208    HB2  ALA  24           1HB      ALA  24   0.141  -3.303  -3.135
  209    HB3  ALA  24           2HB      ALA  24   0.290  -2.850  -4.831
  210    H    LYS  25           H        LYS  25  -1.556  -1.265  -5.655
  211    HA   LYS  25           HA       LYS  25  -1.695   0.715  -3.707
  212    HB2  LYS  25           2HB      LYS  25  -0.994   1.192  -5.989
  213    HB3  LYS  25           3HB      LYS  25  -2.610   0.832  -6.584
  214    HG2  LYS  25           2HG      LYS  25  -3.514   2.726  -5.405
  215    HG3  LYS  25           3HG      LYS  25  -1.944   3.055  -4.676
  216    HD2  LYS  25           2HD      LYS  25  -1.001   3.507  -6.879
  217    HD3  LYS  25           3HD      LYS  25  -2.557   3.142  -7.626
  218    HE2  LYS  25           2HE      LYS  25  -2.086   5.345  -5.622
  219    HE3  LYS  25           3HE      LYS  25  -2.116   5.573  -7.368
  220    HZ1  LYS  25           3HZ      LYS  25  -4.359   4.759  -5.597
  221    HZ2  LYS  25           1HZ      LYS  25  -4.425   4.607  -7.289
  222    HZ3  LYS  25           2HZ      LYS  25  -4.249   6.134  -6.583
  223    H    ALA  26           H        ALA  26  -4.299  -0.711  -5.644
  224    HA   ALA  26           HA       ALA  26  -6.439   0.742  -4.591
  225    HB1  ALA  26           3HB      ALA  26  -7.844  -1.108  -5.356
  226    HB2  ALA  26           1HB      ALA  26  -6.409  -2.116  -5.557
  227    HB3  ALA  26           2HB      ALA  26  -6.630  -0.683  -6.563
  228    H    ARG  27           H        ARG  27  -4.916  -2.242  -3.497
  229    HA   ARG  27           HA       ARG  27  -6.682  -2.815  -1.373
  230    HB2  ARG  27           2HB      ARG  27  -5.063  -4.411  -2.397
  231    HB3  ARG  27           3HB      ARG  27  -3.754  -3.525  -1.630
  232    HG2  ARG  27           2HG      ARG  27  -4.233  -5.496  -0.359
  233    HG3  ARG  27           3HG      ARG  27  -4.716  -4.077   0.572
  234    HD2  ARG  27           2HD      ARG  27  -6.979  -4.490   0.268
  235    HD3  ARG  27           3HD      ARG  27  -6.703  -5.507  -1.147
  236    HE   ARG  27           HE       ARG  27  -5.498  -6.738   1.056
  237   HH11  ARG  27          1HH1      ARG  27  -8.733  -5.891  -0.015
  238   HH12  ARG  27          2HH1      ARG  27  -9.466  -7.290   0.712
  239   HH21  ARG  27          1HH2      ARG  27  -6.457  -8.564   1.990
  240   HH22  ARG  27          2HH2      ARG  27  -8.178  -8.807   1.846
  241    H    ILE  28           H        ILE  28  -3.520  -1.198  -1.435
  242    HA   ILE  28           HA       ILE  28  -3.207  -0.758   1.296
  243    HB   ILE  28           HB       ILE  28  -2.238   0.967  -0.991
  244   HG12  ILE  28          2HG1      ILE  28  -0.686  -1.148   0.492
  245   HG13  ILE  28          3HG1      ILE  28  -1.625  -1.519  -0.951
  246   HG21  ILE  28          1HG2      ILE  28  -0.497   1.718   0.562
  247   HG22  ILE  28          2HG2      ILE  28  -1.252   0.783   1.853
  248   HG23  ILE  28          3HG2      ILE  28  -2.110   2.145   1.136
  249   HD11  ILE  28          3HD1      ILE  28   0.649   0.439  -0.773
  250   HD12  ILE  28          1HD1      ILE  28  -0.291   0.085  -2.222
  251   HD13  ILE  28          2HD1      ILE  28   0.711  -1.170  -1.492
  252    H    GLU  29           H        GLU  29  -4.563   1.451  -1.159
  253    HA   GLU  29           HA       GLU  29  -5.048   3.541   0.672
  254    HB2  GLU  29           2HB      GLU  29  -6.311   3.017  -2.023
  255    HB3  GLU  29           3HB      GLU  29  -6.412   4.533  -1.133
  256    HG2  GLU  29           2HG      GLU  29  -3.948   4.705  -1.224
  257    HG3  GLU  29           3HG      GLU  29  -3.913   3.246  -2.209
  258    H    GLN  30           H        GLN  30  -7.004   0.791  -0.355
  259    HA   GLN  30           HA       GLN  30  -9.345   1.684   1.018
  260    HB2  GLN  30           2HB      GLN  30  -8.504  -1.032   0.016
  261    HB3  GLN  30           3HB      GLN  30 -10.036  -0.749   0.835
  262    HG2  GLN  30           2HG      GLN  30 -10.668   0.850  -0.890
  263    HG3  GLN  30           3HG      GLN  30  -9.133   0.579  -1.711
  264   HE21  GLN  30          1HE2      GLN  30  -8.777  -1.379  -2.766
  265   HE22  GLN  30          2HE2      GLN  30 -10.078  -2.453  -3.177
  266    H    LEU  31           H        LEU  31  -6.559  -0.292   1.890
  267    HA   LEU  31           HA       LEU  31  -7.437  -1.119   4.431
  268    HB2  LEU  31           2HB      LEU  31  -4.640  -0.493   3.471
  269    HB3  LEU  31           3HB      LEU  31  -5.011  -1.296   4.982
  270    HG   LEU  31           HG       LEU  31  -5.664  -2.377   2.240
  271   HD11  LEU  31          1HD1      LEU  31  -3.879  -3.966   2.635
  272   HD12  LEU  31          2HD1      LEU  31  -3.531  -3.218   4.193
  273   HD13  LEU  31          3HD1      LEU  31  -3.253  -2.318   2.702
  274   HD21  LEU  31          3HD2      LEU  31  -7.234  -3.124   3.965
  275   HD22  LEU  31          1HD2      LEU  31  -5.880  -3.657   4.962
  276   HD23  LEU  31          2HD2      LEU  31  -6.199  -4.444   3.417
  277    H    ALA  32           H        ALA  32  -6.064   1.890   3.281
  278    HA   ALA  32           HA       ALA  32  -5.643   3.084   5.821
  279    HB1  ALA  32           3HB      ALA  32  -4.594   3.931   3.781
  280    HB2  ALA  32           1HB      ALA  32  -5.512   5.192   4.605
  281    HB3  ALA  32           2HB      ALA  32  -6.175   4.414   3.165
  282    H    ARG  33           H        ARG  33  -8.376   3.053   3.572
  283    HA   ARG  33           HA       ARG  33 -10.029   4.799   5.045
  284    HB2  ARG  33           2HB      ARG  33 -10.946   2.523   3.282
  285    HB3  ARG  33           3HB      ARG  33 -11.868   3.949   3.732
  286    HG2  ARG  33           2HG      ARG  33 -10.028   5.284   2.561
  287    HG3  ARG  33           3HG      ARG  33  -9.547   3.739   1.855
  288    HD2  ARG  33           2HD      ARG  33 -11.000   4.669   0.277
  289    HD3  ARG  33           3HD      ARG  33 -11.996   3.510   1.156
  290    HE   ARG  33           HE       ARG  33 -12.068   6.437   1.506
  291   HH11  ARG  33          1HH1      ARG  33 -13.564   3.287   1.866
  292   HH12  ARG  33          2HH1      ARG  33 -15.104   3.933   2.351
  293   HH21  ARG  33          1HH2      ARG  33 -14.090   7.287   2.130
  294   HH22  ARG  33          2HH2      ARG  33 -15.394   6.210   2.535
  295    H    GLN  34           H        GLN  34  -9.519   1.309   5.182
  296    HA   GLN  34           HA       GLN  34 -11.464   0.767   7.172
  297    HB2  GLN  34           2HB      GLN  34  -8.866  -0.694   6.654
  298    HB3  GLN  34           3HB      GLN  34 -10.230  -1.310   7.572
  299    HG2  GLN  34           2HG      GLN  34 -11.600  -1.236   5.524
  300    HG3  GLN  34           3HG      GLN  34 -10.178  -0.705   4.624
  301   HE21  GLN  34          1HE2      GLN  34  -8.457  -2.426   6.336
  302   HE22  GLN  34          2HE2      GLN  34  -8.676  -4.029   5.723
  303    H    ALA  35           H        ALA  35  -8.279   2.108   7.251
  304    HA   ALA  35           HA       ALA  35  -8.046   1.831  10.140
  305    HB1  ALA  35           3HB      ALA  35  -6.069   1.444   8.758
  306    HB2  ALA  35           1HB      ALA  35  -5.826   2.797   9.865
  307    HB3  ALA  35           2HB      ALA  35  -6.159   3.099   8.158
  308    H    GLU  36           H        GLU  36  -9.546   3.903   8.054
  309    HA   GLU  36           HA       GLU  36 -10.774   5.773   8.466
  310    HB2  GLU  36           2HB      GLU  36  -9.630   5.474  11.240
  311    HB3  GLU  36           3HB      GLU  36 -10.772   6.736  10.796
  312    HG2  GLU  36           2HG      GLU  36 -11.330   3.804  10.459
  313    HG3  GLU  36           3HG      GLU  36 -11.752   4.715  11.910
  314    H    GLN  37           H        GLN  37  -7.921   5.767   7.595
  315    HA   GLN  37           HA       GLN  37  -7.349   8.592   8.189
  316    HB2  GLN  37           2HB      GLN  37  -4.921   8.031   8.052
  317    HB3  GLN  37           3HB      GLN  37  -5.739   7.292   9.422
  318    HG2  GLN  37           2HG      GLN  37  -5.929   5.202   8.060
  319    HG3  GLN  37           3HG      GLN  37  -4.898   5.971   6.855
  320   HE21  GLN  37          1HE2      GLN  37  -3.265   4.473   7.098
  321   HE22  GLN  37          2HE2      GLN  37  -2.263   4.399   8.503
  322    H    ASP  38           H        ASP  38  -6.337   9.790   6.497
  323    HA   ASP  38           HA       ASP  38  -6.895   8.641   3.848
  324    HB2  ASP  38           2HB      ASP  38  -6.472  11.506   4.716
  325    HB3  ASP  38           3HB      ASP  38  -6.692  11.005   3.042
  326    H    ILE  39           H        ILE  39  -4.428   8.823   5.887
  327    HA   ILE  39           HA       ILE  39  -2.396   9.225   3.798
  328    HB   ILE  39           HB       ILE  39  -2.024   9.165   6.804
  329   HG12  ILE  39          2HG1      ILE  39  -1.957  11.539   4.928
  330   HG13  ILE  39          3HG1      ILE  39  -3.297  11.148   6.001
  331   HG21  ILE  39          1HG2      ILE  39   0.228  10.015   6.313
  332   HG22  ILE  39          2HG2      ILE  39  -0.099   9.875   4.587
  333   HG23  ILE  39          3HG2      ILE  39  -0.042   8.428   5.595
  334   HD11  ILE  39          3HD1      ILE  39  -1.903  12.888   6.938
  335   HD12  ILE  39          1HD1      ILE  39  -0.495  11.831   6.850
  336   HD13  ILE  39          2HD1      ILE  39  -1.833  11.431   7.927
  337    H    VAL  40           H        VAL  40  -1.245   7.490   3.132
  338    HA   VAL  40           HA       VAL  40  -1.718   4.975   4.558
  339    HB   VAL  40           HB       VAL  40  -0.909   3.803   2.619
  340   HG11  VAL  40          1HG1      VAL  40  -3.241   4.476   2.574
  341   HG12  VAL  40          2HG1      VAL  40  -2.561   4.479   0.946
  342   HG13  VAL  40          3HG1      VAL  40  -2.803   6.001   1.805
  343   HG21  VAL  40          3HG2      VAL  40  -0.223   4.993   0.571
  344   HG22  VAL  40          1HG2      VAL  40   0.882   5.254   1.922
  345   HG23  VAL  40          2HG2      VAL  40  -0.272   6.512   1.468
  346    H    THR  41           H        THR  41  -0.173   3.983   5.659
  347    HA   THR  41           HA       THR  41   2.436   5.264   5.835
  348    HB   THR  41           HB       THR  41   2.751   3.679   7.776
  349    HG1  THR  41           HG1      THR  41   0.658   2.769   8.532
  350   HG21  THR  41          3HG2      THR  41   1.199   4.874   9.272
  351   HG22  THR  41          1HG2      THR  41   0.336   5.492   7.864
  352   HG23  THR  41          2HG2      THR  41   2.010   5.969   8.150
  353    HA   PRO  42           HA       PRO  42   4.640   2.121   3.582
  354    HB2  PRO  42           2HB      PRO  42   6.655   1.506   5.396
  355    HB3  PRO  42           3HB      PRO  42   6.703   2.840   4.240
  356    HG2  PRO  42           2HG      PRO  42   5.990   2.870   7.140
  357    HG3  PRO  42           3HG      PRO  42   6.914   4.056   6.198
  358    HD2  PRO  42           2HD      PRO  42   4.362   4.497   6.878
  359    HD3  PRO  42           3HD      PRO  42   5.003   5.018   5.303
  360    H    GLU  43           H        GLU  43   3.694   1.625   6.888
  361    HA   GLU  43           HA       GLU  43   3.946  -1.132   7.164
  362    HB2  GLU  43           2HB      GLU  43   3.369   0.361   9.017
  363    HB3  GLU  43           3HB      GLU  43   1.829   0.737   8.257
  364    HG2  GLU  43           2HG      GLU  43   1.232  -1.678   8.467
  365    HG3  GLU  43           3HG      GLU  43   2.703  -1.897   9.414
  366    H    LEU  44           H        LEU  44   1.131   0.764   6.077
  367    HA   LEU  44           HA       LEU  44  -0.510  -1.440   5.493
  368    HB2  LEU  44           2HB      LEU  44  -0.526   1.452   4.799
  369    HB3  LEU  44           3HB      LEU  44  -1.562   0.387   3.870
  370    HG   LEU  44           HG       LEU  44  -2.740  -0.292   5.887
  371   HD11  LEU  44          1HD1      LEU  44  -0.876   1.576   7.341
  372   HD12  LEU  44          2HD1      LEU  44  -0.932  -0.180   7.503
  373   HD13  LEU  44          3HD1      LEU  44  -2.299   0.801   8.036
  374   HD21  LEU  44          3HD2      LEU  44  -3.518   1.677   4.690
  375   HD22  LEU  44          1HD2      LEU  44  -2.461   2.698   5.663
  376   HD23  LEU  44          2HD2      LEU  44  -3.801   1.840   6.423
  377    H    VAL  45           H        VAL  45   1.670   0.452   3.455
  378    HA   VAL  45           HA       VAL  45   1.034  -0.741   0.999
  379    HB   VAL  45           HB       VAL  45   3.714   0.372   1.843
  380   HG11  VAL  45          1HG1      VAL  45   3.846  -0.974  -0.189
  381   HG12  VAL  45          2HG1      VAL  45   4.065   0.734  -0.560
  382   HG13  VAL  45          3HG1      VAL  45   2.523  -0.051  -0.900
  383   HG21  VAL  45          3HG2      VAL  45   1.917   1.989   2.174
  384   HG22  VAL  45          1HG2      VAL  45   1.369   1.733   0.518
  385   HG23  VAL  45          2HG2      VAL  45   2.946   2.463   0.822
  386    H    GLU  46           H        GLU  46   3.544  -1.560   3.382
  387    HA   GLU  46           HA       GLU  46   4.486  -3.773   1.848
  388    HB2  GLU  46           2HB      GLU  46   5.856  -2.485   3.525
  389    HB3  GLU  46           3HB      GLU  46   4.935  -3.281   4.795
  390    HG2  GLU  46           2HG      GLU  46   5.859  -5.358   4.337
  391    HG3  GLU  46           3HG      GLU  46   6.363  -4.885   2.715
  392    H    GLN  47           H        GLN  47   2.149  -3.351   4.444
  393    HA   GLN  47           HA       GLN  47   1.709  -6.031   5.111
  394    HB2  GLN  47           2HB      GLN  47   0.757  -3.899   6.195
  395    HB3  GLN  47           3HB      GLN  47  -0.478  -3.957   4.955
  396    HG2  GLN  47           2HG      GLN  47   0.047  -6.200   6.890
  397    HG3  GLN  47           3HG      GLN  47  -1.120  -4.915   7.173
  398   HE21  GLN  47          1HE2      GLN  47  -1.836  -4.864   4.295
  399   HE22  GLN  47          2HE2      GLN  47  -2.843  -6.248   4.038
  400    H    ALA  48           H        ALA  48   0.142  -4.012   2.623
  401    HA   ALA  48           HA       ALA  48  -1.531  -6.009   1.568
  402    HB1  ALA  48           3HB      ALA  48  -1.782  -3.613   1.072
  403    HB2  ALA  48           1HB      ALA  48  -1.733  -4.596  -0.393
  404    HB3  ALA  48           2HB      ALA  48  -0.312  -3.674   0.099
  405    H    ARG  49           H        ARG  49   1.815  -5.248   1.088
  406    HA   ARG  49           HA       ARG  49   2.232  -6.893  -1.226
  407    HB2  ARG  49           2HB      ARG  49   3.582  -4.909  -0.674
  408    HB3  ARG  49           3HB      ARG  49   4.141  -5.700   0.786
  409    HG2  ARG  49           2HG      ARG  49   5.272  -7.392  -0.578
  410    HG3  ARG  49           3HG      ARG  49   4.728  -6.551  -2.038
  411    HD2  ARG  49           2HD      ARG  49   5.916  -4.566  -1.409
  412    HD3  ARG  49           3HD      ARG  49   6.330  -5.261   0.150
  413    HE   ARG  49           HE       ARG  49   7.338  -6.608  -2.237
  414   HH11  ARG  49          1HH1      ARG  49   7.924  -4.566   0.537
  415   HH12  ARG  49          2HH1      ARG  49   9.652  -4.662   0.437
  416   HH21  ARG  49          1HH2      ARG  49   9.635  -6.699  -2.440
  417   HH22  ARG  49          2HH2      ARG  49  10.628  -5.872  -1.279
  418    H    LEU  50           H        LEU  50   2.144  -7.262   2.173
  419    HA   LEU  50           HA       LEU  50   3.663  -9.693   2.328
  420    HB2  LEU  50           2HB      LEU  50   2.996  -7.731   4.103
  421    HB3  LEU  50           3HB      LEU  50   1.842  -8.976   4.533
  422    HG   LEU  50           HG       LEU  50   3.936  -9.022   5.881
  423   HD11  LEU  50          1HD1      LEU  50   2.563 -11.014   5.690
  424   HD12  LEU  50          2HD1      LEU  50   4.272 -11.446   5.724
  425   HD13  LEU  50          3HD1      LEU  50   3.389 -11.463   4.196
  426   HD21  LEU  50          3HD2      LEU  50   5.193  -9.898   3.281
  427   HD22  LEU  50          1HD2      LEU  50   5.974  -9.876   4.863
  428   HD23  LEU  50          2HD2      LEU  50   5.484  -8.364   4.100
  429    H    GLU  51           H        GLU  51   0.229  -8.797   2.637
  430    HA   GLU  51           HA       GLU  51  -0.659 -11.441   3.058
  431    HB2  GLU  51           2HB      GLU  51  -2.910 -10.583   2.586
  432    HB3  GLU  51           3HB      GLU  51  -2.036  -9.549   3.701
  433    HG2  GLU  51           2HG      GLU  51  -1.585  -7.970   1.917
  434    HG3  GLU  51           3HG      GLU  51  -2.411  -9.020   0.763
  435    H    PHE  52           H        PHE  52  -0.172  -9.536   0.114
  436    HA   PHE  52           HA       PHE  52  -1.262 -11.506  -1.634
  437    HB2  PHE  52           2HB      PHE  52   0.724  -9.287  -2.148
  438    HB3  PHE  52           3HB      PHE  52   0.059 -10.317  -3.409
  439    HD1  PHE  52           HD2      PHE  52  -2.723 -10.347  -1.800
  440    HD2  PHE  52           HD1      PHE  52  -0.150  -7.346  -3.375
  441    HE1  PHE  52           HE2      PHE  52  -4.643  -8.828  -2.023
  442    HE2  PHE  52           HE1      PHE  52  -2.067  -5.824  -3.602
  443    HZ   PHE  52           HZ       PHE  52  -4.317  -6.562  -2.926
  444    H    GLY  53           H        GLY  53   1.907 -10.926  -0.240
  445    HA2  GLY  53           2HA      GLY  53   3.337 -12.921  -1.628
  446    HA3  GLY  53           3HA      GLY  53   3.740 -12.291  -0.034
  447    H    GLN  54           H        GLN  54   1.407 -13.020   1.335
  448    HA   GLN  54           HA       GLN  54   1.970 -15.727   1.966
  449    HB2  GLN  54           2HB      GLN  54  -0.364 -13.978   2.767
  450    HB3  GLN  54           3HB      GLN  54  -0.016 -15.556   3.459
  451    HG2  GLN  54           2HG      GLN  54   2.145 -14.715   4.257
  452    HG3  GLN  54           3HG      GLN  54   1.756 -13.131   3.595
  453   HE21  GLN  54          1HE2      GLN  54  -1.069 -13.359   4.365
  454   HE22  GLN  54          2HE2      GLN  54  -1.105 -13.111   6.075
  455    H    LEU  55           H        LEU  55  -0.442 -14.173  -0.053
  456    HA   LEU  55           HA       LEU  55  -2.050 -16.472  -0.479
  457    HB2  LEU  55           2HB      LEU  55  -1.644 -14.012  -2.183
  458    HB3  LEU  55           3HB      LEU  55  -2.854 -15.240  -2.498
  459    HG   LEU  55           HG       LEU  55  -2.725 -13.478  -0.050
  460   HD11  LEU  55          1HD1      LEU  55  -3.420 -12.282  -2.054
  461   HD12  LEU  55          2HD1      LEU  55  -4.772 -12.493  -0.941
  462   HD13  LEU  55          3HD1      LEU  55  -4.642 -13.511  -2.376
  463   HD21  LEU  55          3HD2      LEU  55  -4.883 -14.474   0.525
  464   HD22  LEU  55          1HD2      LEU  55  -3.607 -15.690   0.476
  465   HD23  LEU  55          2HD2      LEU  55  -4.753 -15.560  -0.857
  466    H    GLU  56           H        GLU  56   0.797 -15.163  -2.034
  467    HA   GLU  56           HA       GLU  56   2.304 -16.010  -3.486
  468    HB2  GLU  56           2HB      GLU  56   2.229 -17.893  -1.813
  469    HB3  GLU  56           3HB      GLU  56   1.084 -18.707  -2.865
  470    HG2  GLU  56           2HG      GLU  56   3.626 -17.864  -4.103
  471    HG3  GLU  56           3HG      GLU  56   3.723 -19.149  -2.902
  472    H    HIS  57           H        HIS  57   1.250 -14.886  -5.152
  473    HA   HIS  57           HA       HIS  57   0.370 -14.627  -7.225
  474    HB2  HIS  57           2HB      HIS  57   0.441 -17.649  -7.323
  475    HB3  HIS  57           3HB      HIS  57   0.109 -16.601  -8.697
  476    HD1  HIS  57           HD1      HIS  57   2.844 -18.105  -6.765
  477    HD2  HIS  57           HD2      HIS  57   2.396 -15.011  -9.517
  478    HE1  HIS  57           HE1      HIS  57   5.163 -17.565  -7.569
  479    HE2  HIS  57           HE2      HIS  57   4.888 -15.623  -9.144
  480    H    HIS  58           H        HIS  58  -1.667 -15.466  -8.630
  481    HA   HIS  58           HA       HIS  58  -3.832 -16.403  -6.994
  482    HB2  HIS  58           2HB      HIS  58  -5.241 -14.387  -7.166
  483    HB3  HIS  58           3HB      HIS  58  -3.800 -14.108  -6.201
  484    HD1  HIS  58           HD1      HIS  58  -5.768 -12.560  -8.728
  485    HD2  HIS  58           HD2      HIS  58  -1.688 -12.784  -7.935
  486    HE1  HIS  58           HE1      HIS  58  -4.721 -10.651  -9.986
  487    HE2  HIS  58           HE2      HIS  58  -2.269 -10.731  -9.396
  488    H    HIS  59           H        HIS  59  -3.821 -17.942  -8.684
  489    HA   HIS  59           HA       HIS  59  -5.840 -17.337 -10.593
  490    HB2  HIS  59           2HB      HIS  59  -3.601 -16.536 -11.652
  491    HB3  HIS  59           3HB      HIS  59  -3.278 -18.255 -11.868
  492    HD1  HIS  59           HD1      HIS  59  -4.856 -15.441 -13.487
  493    HD2  HIS  59           HD2      HIS  59  -5.449 -19.560 -13.438
  494    HE1  HIS  59           HE1      HIS  59  -6.282 -15.949 -15.495
  495    HE2  HIS  59           HE2      HIS  59  -6.778 -18.417 -15.341
  496    H    HIS  60           H        HIS  60  -3.431 -19.552  -9.325
  497    HA   HIS  60           HA       HIS  60  -4.606 -21.900 -10.395
  498    HB2  HIS  60           2HB      HIS  60  -3.288 -23.105  -8.620
  499    HB3  HIS  60           3HB      HIS  60  -2.351 -22.095  -9.708
  500    HD1  HIS  60           HD1      HIS  60  -0.907 -20.332  -8.681
  501    HD2  HIS  60           HD2      HIS  60  -3.556 -22.012  -5.953
  502    HE1  HIS  60           HE1      HIS  60  -0.212 -19.452  -6.430
  503    HE2  HIS  60           HE2      HIS  60  -1.631 -20.730  -4.791
  504    H    HIS  61           H        HIS  61  -5.666 -19.829  -7.966
  505    HA   HIS  61           HA       HIS  61  -7.625 -19.798  -6.821
  506    HB2  HIS  61           2HB      HIS  61  -8.571 -20.900  -8.812
  507    HB3  HIS  61           3HB      HIS  61  -8.143 -22.470  -8.151
  508    HD1  HIS  61           HD1      HIS  61  -9.843 -23.579  -6.679
  509    HD2  HIS  61           HD2      HIS  61 -10.650 -19.543  -7.299
  510    HE1  HIS  61           HE1      HIS  61 -12.104 -23.173  -5.666
  511    HE2  HIS  61           HE2      HIS  61 -12.526 -20.706  -5.948
  512    H    HIS  62           H        HIS  62  -8.539 -20.512  -4.867
  513    HA   HIS  62           HA       HIS  62  -7.592 -23.048  -3.780
  514    HB2  HIS  62           2HB      HIS  62  -7.090 -22.129  -1.597
  515    HB3  HIS  62           3HB      HIS  62  -6.123 -21.295  -2.802
  516    HD1  HIS  62           HD1      HIS  62  -9.142 -20.765  -0.586
  517    HD2  HIS  62           HD2      HIS  62  -6.440 -18.559  -2.854
  518    HE1  HIS  62           HE1      HIS  62  -9.550 -18.361   0.024
  519    HE2  HIS  62           HE2      HIS  62  -7.747 -17.078  -1.171
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1  -9.760   9.475  -4.985
    2    H2   MET   1           2H       MET   1 -11.068   8.612  -5.637
    3    H3   MET   1           3H       MET   1  -9.520   8.448  -6.314
    4    HA   MET   1           HA       MET   1 -10.320   7.622  -3.586
    5    HB2  MET   1           2HB      MET   1 -10.074   5.332  -4.363
    6    HB3  MET   1           3HB      MET   1 -11.255   6.171  -5.359
    7    HG2  MET   1           2HG      MET   1  -9.611   6.455  -7.114
    8    HG3  MET   1           3HG      MET   1  -8.380   5.696  -6.109
    9    HE1  MET   1           3HE      MET   1  -9.879   3.304  -4.747
   10    HE2  MET   1           1HE      MET   1  -8.296   3.152  -5.512
   11    HE3  MET   1           2HE      MET   1  -9.577   2.006  -5.900
   12    H    ASN   2           H        ASN   2  -7.871   8.910  -5.394
   13    HA   ASN   2           HA       ASN   2  -5.713   7.267  -4.390
   14    HB2  ASN   2           2HB      ASN   2  -5.604   8.421  -6.603
   15    HB3  ASN   2           3HB      ASN   2  -5.583   9.966  -5.758
   16   HD21  ASN   2          1HD2      ASN   2  -3.727  10.612  -4.691
   17   HD22  ASN   2          2HD2      ASN   2  -2.212   9.812  -4.904
   18    H    LEU   3           H        LEU   3  -5.002   7.415  -2.396
   19    HA   LEU   3           HA       LEU   3  -5.759   9.709  -0.768
   20    HB2  LEU   3           2HB      LEU   3  -4.456   7.087  -0.053
   21    HB3  LEU   3           3HB      LEU   3  -4.926   8.320   1.104
   22    HG   LEU   3           HG       LEU   3  -6.804   6.771  -0.687
   23   HD11  LEU   3          1HD1      LEU   3  -7.603   5.777   1.381
   24   HD12  LEU   3          2HD1      LEU   3  -6.397   6.682   2.295
   25   HD13  LEU   3          3HD1      LEU   3  -5.887   5.442   1.148
   26   HD21  LEU   3          3HD2      LEU   3  -7.371   8.852   1.419
   27   HD22  LEU   3          1HD2      LEU   3  -8.582   7.873   0.590
   28   HD23  LEU   3          2HD2      LEU   3  -7.612   9.032  -0.320
   29    H    ARG   4           H        ARG   4  -3.971  10.187   1.038
   30    HA   ARG   4           HA       ARG   4  -1.709  11.208  -0.450
   31    HB2  ARG   4           2HB      ARG   4  -2.615  11.490   2.397
   32    HB3  ARG   4           3HB      ARG   4  -1.032  12.054   1.881
   33    HG2  ARG   4           2HG      ARG   4  -1.998  13.601   0.345
   34    HG3  ARG   4           3HG      ARG   4  -3.610  12.931   0.605
   35    HD2  ARG   4           2HD      ARG   4  -1.929  14.293   2.702
   36    HD3  ARG   4           3HD      ARG   4  -3.259  15.043   1.817
   37    HE   ARG   4           HE       ARG   4  -4.211  12.690   2.983
   38   HH11  ARG   4          1HH1      ARG   4  -3.108  15.877   3.930
   39   HH12  ARG   4          2HH1      ARG   4  -4.020  15.893   5.408
   40   HH21  ARG   4          1HH2      ARG   4  -5.385  12.699   4.922
   41   HH22  ARG   4          2HH2      ARG   4  -5.318  14.079   5.977
   42    H    TRP   5           H        TRP   5   0.035  10.115  -0.815
   43    HA   TRP   5           HA       TRP   5   0.715   7.842   0.891
   44    HB2  TRP   5           2HB      TRP   5   1.576   8.632  -1.890
   45    HB3  TRP   5           3HB      TRP   5   2.327   7.314  -0.999
   46    HD1  TRP   5           HD1      TRP   5  -1.254   8.289  -2.177
   47    HE1  TRP   5           HE1      TRP   5  -2.492   6.119  -2.807
   48    HE3  TRP   5           HE3      TRP   5   2.388   4.922  -0.954
   49    HZ2  TRP   5           HZ2      TRP   5  -1.963   3.342  -2.802
   50    HZ3  TRP   5           HZ3      TRP   5   1.943   2.525  -1.296
   51    HH2  TRP   5           HH2      TRP   5  -0.191   1.755  -2.199
   52    H    THR   6           H        THR   6   2.358   7.943   2.273
   53    HA   THR   6           HA       THR   6   3.944  10.277   2.567
   54    HB   THR   6           HB       THR   6   5.289   8.831   4.160
   55    HG1  THR   6           HG1      THR   6   3.238   6.914   4.001
   56   HG21  THR   6          3HG2      THR   6   3.498   8.687   5.831
   57   HG22  THR   6          1HG2      THR   6   2.298   8.923   4.559
   58   HG23  THR   6          2HG2      THR   6   3.438  10.211   4.947
   59    H    SER   7           H        SER   7   6.306  10.374   2.370
   60    HA   SER   7           HA       SER   7   7.195   9.694  -0.175
   61    HB2  SER   7           2HB      SER   7   9.033  10.165   2.174
   62    HB3  SER   7           3HB      SER   7   9.290  10.585   0.479
   63    HG   SER   7           HG       SER   7   7.949  12.271   0.659
   64    H    GLU   8           H        GLU   8   7.610   8.023   2.896
   65    HA   GLU   8           HA       GLU   8   9.370   6.018   1.936
   66    HB2  GLU   8           2HB      GLU   8   7.487   5.978   4.304
   67    HB3  GLU   8           3HB      GLU   8   8.766   4.809   4.006
   68    HG2  GLU   8           2HG      GLU   8  10.440   6.559   4.215
   69    HG3  GLU   8           3HG      GLU   8   9.172   7.755   4.474
   70    H    ALA   9           H        ALA   9   5.848   6.221   2.276
   71    HA   ALA   9           HA       ALA   9   5.263   3.557   1.597
   72    HB1  ALA   9           3HB      ALA   9   3.637   5.060   2.641
   73    HB2  ALA   9           1HB      ALA   9   3.002   4.334   1.166
   74    HB3  ALA   9           2HB      ALA   9   3.562   6.005   1.154
   75    H    LYS  10           H        LYS  10   5.629   6.465  -0.367
   76    HA   LYS  10           HA       LYS  10   4.908   5.387  -2.840
   77    HB2  LYS  10           2HB      LYS  10   6.907   7.556  -2.173
   78    HB3  LYS  10           3HB      LYS  10   6.349   7.197  -3.802
   79    HG2  LYS  10           2HG      LYS  10   4.084   7.780  -3.190
   80    HG3  LYS  10           3HG      LYS  10   4.577   8.049  -1.518
   81    HD2  LYS  10           2HD      LYS  10   6.040   9.878  -2.249
   82    HD3  LYS  10           3HD      LYS  10   5.538   9.607  -3.920
   83    HE2  LYS  10           2HE      LYS  10   3.708  10.373  -1.649
   84    HE3  LYS  10           3HE      LYS  10   4.344  11.486  -2.859
   85    HZ1  LYS  10           3HZ      LYS  10   2.706   9.111  -3.563
   86    HZ2  LYS  10           1HZ      LYS  10   3.113  10.421  -4.555
   87    HZ3  LYS  10           2HZ      LYS  10   2.031  10.638  -3.268
   88    H    THR  11           H        THR  11   8.092   5.524  -1.255
   89    HA   THR  11           HA       THR  11   9.517   4.234  -3.316
   90    HB   THR  11           HB       THR  11  10.168   4.193  -0.363
   91    HG1  THR  11           HG1      THR  11  11.504   6.069  -1.060
   92   HG21  THR  11          3HG2      THR  11  11.925   3.956  -2.810
   93   HG22  THR  11          1HG2      THR  11  11.508   2.649  -1.704
   94   HG23  THR  11          2HG2      THR  11  12.488   4.002  -1.139
   95    H    LYS  12           H        LYS  12   7.957   2.967  -0.378
   96    HA   LYS  12           HA       LYS  12   8.752   0.285  -0.711
   97    HB2  LYS  12           2HB      LYS  12   6.368   1.480   0.706
   98    HB3  LYS  12           3HB      LYS  12   6.805  -0.221   0.797
   99    HG2  LYS  12           2HG      LYS  12   8.646   2.015   1.608
  100    HG3  LYS  12           3HG      LYS  12   7.565   1.178   2.722
  101    HD2  LYS  12           2HD      LYS  12   9.579  -0.278   1.026
  102    HD3  LYS  12           3HD      LYS  12   9.973   0.359   2.626
  103    HE2  LYS  12           2HE      LYS  12   8.119  -0.976   3.570
  104    HE3  LYS  12           3HE      LYS  12   7.826  -1.654   1.966
  105    HZ1  LYS  12           3HZ      LYS  12  10.177  -2.465   2.030
  106    HZ2  LYS  12           1HZ      LYS  12   9.149  -3.199   3.166
  107    HZ3  LYS  12           2HZ      LYS  12  10.246  -1.998   3.655
  108    H    LEU  13           H        LEU  13   6.005   2.091  -1.963
  109    HA   LEU  13           HA       LEU  13   4.544  -0.081  -2.998
  110    HB2  LEU  13           2HB      LEU  13   3.643   2.199  -2.732
  111    HB3  LEU  13           3HB      LEU  13   4.690   2.756  -4.023
  112    HG   LEU  13           HG       LEU  13   3.500   1.241  -5.593
  113   HD11  LEU  13          1HD1      LEU  13   2.711  -0.414  -3.998
  114   HD12  LEU  13          2HD1      LEU  13   1.361   0.271  -4.904
  115   HD13  LEU  13          3HD1      LEU  13   1.664   0.790  -3.246
  116   HD21  LEU  13          3HD2      LEU  13   1.738   3.192  -4.113
  117   HD22  LEU  13          1HD2      LEU  13   1.480   2.594  -5.755
  118   HD23  LEU  13          2HD2      LEU  13   2.884   3.600  -5.393
  119    H    LYS  14           H        LYS  14   7.167   1.854  -4.328
  120    HA   LYS  14           HA       LYS  14   7.081   0.835  -6.963
  121    HB2  LYS  14           2HB      LYS  14   9.386   1.993  -5.386
  122    HB3  LYS  14           3HB      LYS  14   9.418   1.680  -7.118
  123    HG2  LYS  14           2HG      LYS  14   7.762   3.327  -7.530
  124    HG3  LYS  14           3HG      LYS  14   7.419   3.503  -5.808
  125    HD2  LYS  14           2HD      LYS  14   9.653   4.404  -5.442
  126    HD3  LYS  14           3HD      LYS  14  10.032   4.191  -7.154
  127    HE2  LYS  14           2HE      LYS  14   8.385   5.804  -7.788
  128    HE3  LYS  14           3HE      LYS  14   7.778   5.908  -6.134
  129    HZ1  LYS  14           3HZ      LYS  14   9.255   7.767  -6.810
  130    HZ2  LYS  14           1HZ      LYS  14  10.540   6.664  -6.926
  131    HZ3  LYS  14           2HZ      LYS  14   9.783   6.939  -5.430
  132    H    ASN  15           H        ASN  15   8.294  -0.468  -4.008
  133    HA   ASN  15           HA       ASN  15  10.131  -2.345  -5.121
  134    HB2  ASN  15           2HB      ASN  15   8.716  -2.238  -2.452
  135    HB3  ASN  15           3HB      ASN  15   9.916  -3.457  -2.862
  136   HD21  ASN  15          1HD2      ASN  15   9.877  -1.338  -0.827
  137   HD22  ASN  15          2HD2      ASN  15  11.321  -0.417  -1.077
  138    H    ILE  16           H        ILE  16   6.722  -2.242  -4.719
  139    HA   ILE  16           HA       ILE  16   6.269  -5.072  -4.872
  140    HB   ILE  16           HB       ILE  16   4.329  -2.806  -5.385
  141   HG12  ILE  16          2HG1      ILE  16   4.859  -4.351  -2.836
  142   HG13  ILE  16          3HG1      ILE  16   5.384  -2.700  -3.146
  143   HG21  ILE  16          1HG2      ILE  16   3.851  -5.713  -4.727
  144   HG22  ILE  16          2HG2      ILE  16   3.535  -4.923  -6.270
  145   HG23  ILE  16          3HG2      ILE  16   2.603  -4.473  -4.846
  146   HD11  ILE  16          3HD1      ILE  16   3.396  -2.763  -1.745
  147   HD12  ILE  16          1HD1      ILE  16   2.525  -3.635  -3.007
  148   HD13  ILE  16          2HD1      ILE  16   3.062  -1.981  -3.290
  149    HA   PRO  17           HA       PRO  17   6.938  -5.628  -9.254
  150    HB2  PRO  17           2HB      PRO  17   4.798  -7.666  -8.836
  151    HB3  PRO  17           3HB      PRO  17   6.368  -7.830  -9.631
  152    HG2  PRO  17           2HG      PRO  17   5.985  -8.804  -7.185
  153    HG3  PRO  17           3HG      PRO  17   7.515  -8.019  -7.622
  154    HD2  PRO  17           2HD      PRO  17   5.257  -6.987  -5.967
  155    HD3  PRO  17           3HD      PRO  17   7.001  -6.704  -5.800
  156    H    PHE  18           H        PHE  18   6.032  -4.690 -10.978
  157    HA   PHE  18           HA       PHE  18   3.873  -2.988 -10.814
  158    HB2  PHE  18           2HB      PHE  18   5.495  -2.751 -12.570
  159    HB3  PHE  18           3HB      PHE  18   5.087  -4.327 -13.236
  160    HD1  PHE  18           HD1      PHE  18   3.825  -0.894 -12.713
  161    HD2  PHE  18           HD2      PHE  18   3.351  -4.573 -14.793
  162    HE1  PHE  18           HE1      PHE  18   2.199   0.174 -14.221
  163    HE2  PHE  18           HE2      PHE  18   1.724  -3.518 -16.304
  164    HZ   PHE  18           HZ       PHE  18   1.146  -1.139 -16.022
  165    H    PHE  19           H        PHE  19   3.908  -6.349 -11.853
  166    HA   PHE  19           HA       PHE  19   1.349  -6.544 -12.931
  167    HB2  PHE  19           2HB      PHE  19   2.972  -8.320 -13.179
  168    HB3  PHE  19           3HB      PHE  19   3.004  -8.589 -11.441
  169    HD1  PHE  19           HD2      PHE  19   0.840  -8.830 -14.442
  170    HD2  PHE  19           HD1      PHE  19   1.522 -10.095 -10.436
  171    HE1  PHE  19           HE2      PHE  19  -0.916 -10.534 -14.682
  172    HE2  PHE  19           HE1      PHE  19  -0.236 -11.800 -10.670
  173    HZ   PHE  19           HZ       PHE  19  -1.459 -12.021 -12.796
  174    H    ALA  20           H        ALA  20   2.340  -6.322  -9.606
  175    HA   ALA  20           HA       ALA  20  -0.428  -6.893  -8.759
  176    HB1  ALA  20           3HB      ALA  20   2.093  -7.255  -7.147
  177    HB2  ALA  20           1HB      ALA  20   1.197  -8.546  -7.948
  178    HB3  ALA  20           2HB      ALA  20   0.452  -7.643  -6.630
  179    H    ARG  21           H        ARG  21   1.988  -4.502  -8.958
  180    HA   ARG  21           HA       ARG  21   1.656  -3.118  -6.562
  181    HB2  ARG  21           2HB      ARG  21   3.518  -2.600  -7.985
  182    HB3  ARG  21           3HB      ARG  21   2.448  -2.076  -9.282
  183    HG2  ARG  21           2HG      ARG  21   1.783  -0.149  -8.085
  184    HG3  ARG  21           3HG      ARG  21   2.517  -0.735  -6.595
  185    HD2  ARG  21           2HD      ARG  21   3.840   1.039  -7.665
  186    HD3  ARG  21           3HD      ARG  21   4.724  -0.479  -7.534
  187    HE   ARG  21           HE       ARG  21   4.761  -0.647  -9.822
  188   HH11  ARG  21          1HH1      ARG  21   2.566   1.926  -8.897
  189   HH12  ARG  21          2HH1      ARG  21   2.495   2.618 -10.487
  190   HH21  ARG  21          1HH2      ARG  21   4.665   0.259 -11.909
  191   HH22  ARG  21          2HH2      ARG  21   3.671   1.650 -12.210
  192    H    SER  22           H        SER  22  -0.068  -2.630  -9.644
  193    HA   SER  22           HA       SER  22  -1.614  -0.441  -8.833
  194    HB2  SER  22           2HB      SER  22  -2.477  -2.600 -10.766
  195    HB3  SER  22           3HB      SER  22  -2.975  -0.908 -10.754
  196    HG   SER  22           HG       SER  22  -1.387  -0.712 -12.138
  197    H    GLN  23           H        GLN  23  -2.251  -3.909  -8.656
  198    HA   GLN  23           HA       GLN  23  -4.835  -3.684  -7.508
  199    HB2  GLN  23           2HB      GLN  23  -4.224  -5.677  -8.695
  200    HB3  GLN  23           3HB      GLN  23  -2.842  -5.946  -7.646
  201    HG2  GLN  23           2HG      GLN  23  -4.271  -6.467  -5.802
  202    HG3  GLN  23           3HG      GLN  23  -5.703  -6.040  -6.736
  203   HE21  GLN  23          1HE2      GLN  23  -3.020  -7.758  -8.137
  204   HE22  GLN  23          2HE2      GLN  23  -3.828  -9.274  -8.316
  205    H    ALA  24           H        ALA  24  -1.585  -4.020  -6.195
  206    HA   ALA  24           HA       ALA  24  -2.340  -4.392  -3.492
  207    HB1  ALA  24           3HB      ALA  24  -0.111  -4.970  -4.303
  208    HB2  ALA  24           1HB      ALA  24  -0.021  -3.832  -2.959
  209    HB3  ALA  24           2HB      ALA  24   0.225  -3.267  -4.613
  210    H    LYS  25           H        LYS  25  -1.630  -1.533  -5.435
  211    HA   LYS  25           HA       LYS  25  -1.688   0.412  -3.451
  212    HB2  LYS  25           2HB      LYS  25  -1.048   0.849  -5.780
  213    HB3  LYS  25           3HB      LYS  25  -2.710   0.587  -6.293
  214    HG2  LYS  25           2HG      LYS  25  -3.438   2.526  -5.067
  215    HG3  LYS  25           3HG      LYS  25  -1.814   2.762  -4.420
  216    HD2  LYS  25           2HD      LYS  25  -0.985   3.073  -6.730
  217    HD3  LYS  25           3HD      LYS  25  -2.646   2.942  -7.314
  218    HE2  LYS  25           2HE      LYS  25  -1.717   4.995  -5.314
  219    HE3  LYS  25           3HE      LYS  25  -1.804   5.283  -7.049
  220    HZ1  LYS  25           3HZ      LYS  25  -4.171   4.899  -6.986
  221    HZ2  LYS  25           1HZ      LYS  25  -3.758   6.102  -5.867
  222    HZ3  LYS  25           2HZ      LYS  25  -4.117   4.534  -5.327
  223    H    ALA  26           H        ALA  26  -4.355  -0.871  -5.409
  224    HA   ALA  26           HA       ALA  26  -6.445   0.560  -4.239
  225    HB1  ALA  26           3HB      ALA  26  -7.904  -1.196  -5.122
  226    HB2  ALA  26           1HB      ALA  26  -6.494  -2.215  -5.418
  227    HB3  ALA  26           2HB      ALA  26  -6.692  -0.705  -6.306
  228    H    ARG  27           H        ARG  27  -4.790  -2.351  -3.197
  229    HA   ARG  27           HA       ARG  27  -6.610  -2.990  -1.089
  230    HB2  ARG  27           2HB      ARG  27  -5.093  -4.655  -2.102
  231    HB3  ARG  27           3HB      ARG  27  -3.713  -3.787  -1.459
  232    HG2  ARG  27           2HG      ARG  27  -4.186  -5.719  -0.106
  233    HG3  ARG  27           3HG      ARG  27  -4.507  -4.251   0.816
  234    HD2  ARG  27           2HD      ARG  27  -6.860  -4.495   0.536
  235    HD3  ARG  27           3HD      ARG  27  -6.645  -5.790  -0.644
  236    HE   ARG  27           HE       ARG  27  -5.709  -7.126   1.229
  237   HH11  ARG  27          1HH1      ARG  27  -7.833  -4.439   1.949
  238   HH12  ARG  27          2HH1      ARG  27  -8.345  -5.094   3.470
  239   HH21  ARG  27          1HH2      ARG  27  -6.394  -7.991   3.205
  240   HH22  ARG  27          2HH2      ARG  27  -7.559  -7.123   4.166
  241    H    ILE  28           H        ILE  28  -3.457  -1.358  -1.230
  242    HA   ILE  28           HA       ILE  28  -3.144  -0.871   1.513
  243    HB   ILE  28           HB       ILE  28  -2.128   0.778  -0.811
  244   HG12  ILE  28          2HG1      ILE  28  -0.720  -1.382   0.769
  245   HG13  ILE  28          3HG1      ILE  28  -1.488  -1.651  -0.791
  246   HG21  ILE  28          1HG2      ILE  28  -0.400   1.552   0.763
  247   HG22  ILE  28          2HG2      ILE  28  -1.222   0.690   2.065
  248   HG23  ILE  28          3HG2      ILE  28  -2.023   2.038   1.258
  249   HD11  ILE  28          3HD1      ILE  28   0.804   0.219  -0.253
  250   HD12  ILE  28          1HD1      ILE  28   0.038  -0.055  -1.818
  251   HD13  ILE  28          2HD1      ILE  28   0.908  -1.367  -1.021
  252    H    GLU  29           H        GLU  29  -4.559   1.188  -1.025
  253    HA   GLU  29           HA       GLU  29  -5.163   3.307   0.763
  254    HB2  GLU  29           2HB      GLU  29  -6.258   2.690  -1.986
  255    HB3  GLU  29           3HB      GLU  29  -6.529   4.197  -1.114
  256    HG2  GLU  29           2HG      GLU  29  -4.126   4.622  -1.087
  257    HG3  GLU  29           3HG      GLU  29  -3.843   3.108  -1.939
  258    H    GLN  30           H        GLN  30  -6.894   0.418  -0.224
  259    HA   GLN  30           HA       GLN  30  -9.361   1.135   1.018
  260    HB2  GLN  30           2HB      GLN  30  -9.140  -0.712  -0.647
  261    HB3  GLN  30           3HB      GLN  30  -8.261  -1.644   0.557
  262    HG2  GLN  30           2HG      GLN  30 -10.234  -1.574   2.023
  263    HG3  GLN  30           3HG      GLN  30 -11.112  -0.701   0.767
  264   HE21  GLN  30          1HE2      GLN  30  -9.845  -3.754   1.782
  265   HE22  GLN  30          2HE2      GLN  30 -10.605  -4.715   0.567
  266    H    LEU  31           H        LEU  31  -6.402  -0.417   2.100
  267    HA   LEU  31           HA       LEU  31  -7.255  -1.161   4.678
  268    HB2  LEU  31           2HB      LEU  31  -4.539  -0.444   3.579
  269    HB3  LEU  31           3HB      LEU  31  -4.779  -1.001   5.223
  270    HG   LEU  31           HG       LEU  31  -5.627  -2.619   2.822
  271   HD11  LEU  31          1HD1      LEU  31  -3.211  -2.212   2.714
  272   HD12  LEU  31          2HD1      LEU  31  -3.576  -3.897   3.086
  273   HD13  LEU  31          3HD1      LEU  31  -3.041  -2.806   4.366
  274   HD21  LEU  31          3HD2      LEU  31  -5.106  -3.355   5.703
  275   HD22  LEU  31          1HD2      LEU  31  -5.607  -4.460   4.423
  276   HD23  LEU  31          2HD2      LEU  31  -6.693  -3.177   4.956
  277    H    ALA  32           H        ALA  32  -5.864   1.830   3.407
  278    HA   ALA  32           HA       ALA  32  -5.796   3.220   5.867
  279    HB1  ALA  32           3HB      ALA  32  -6.079   4.338   3.082
  280    HB2  ALA  32           1HB      ALA  32  -4.561   3.959   3.893
  281    HB3  ALA  32           2HB      ALA  32  -5.599   5.238   4.522
  282    H    ARG  33           H        ARG  33  -8.269   2.950   3.332
  283    HA   ARG  33           HA       ARG  33 -10.216   4.615   4.427
  284    HB2  ARG  33           2HB      ARG  33 -10.420   2.079   2.820
  285    HB3  ARG  33           3HB      ARG  33 -11.847   2.968   3.327
  286    HG2  ARG  33           2HG      ARG  33  -9.623   4.132   1.671
  287    HG3  ARG  33           3HG      ARG  33 -11.118   3.459   1.017
  288    HD2  ARG  33           2HD      ARG  33 -12.268   5.116   2.658
  289    HD3  ARG  33           3HD      ARG  33 -10.706   5.933   2.647
  290    HE   ARG  33           HE       ARG  33 -11.586   5.422  -0.002
  291   HH11  ARG  33          1HH1      ARG  33 -12.110   7.543   2.734
  292   HH12  ARG  33          2HH1      ARG  33 -12.795   8.824   1.769
  293   HH21  ARG  33          1HH2      ARG  33 -12.477   7.093  -1.272
  294   HH22  ARG  33          2HH2      ARG  33 -13.010   8.565  -0.515
  295    H    GLN  34           H        GLN  34  -9.490   1.220   5.094
  296    HA   GLN  34           HA       GLN  34 -11.609   0.793   6.925
  297    HB2  GLN  34           2HB      GLN  34 -10.354  -1.005   5.745
  298    HB3  GLN  34           3HB      GLN  34  -8.957  -0.646   6.748
  299    HG2  GLN  34           2HG      GLN  34 -10.143  -1.320   8.728
  300    HG3  GLN  34           3HG      GLN  34 -11.626  -1.544   7.803
  301   HE21  GLN  34          1HE2      GLN  34  -8.456  -2.452   6.653
  302   HE22  GLN  34          2HE2      GLN  34  -8.720  -4.160   6.684
  303    H    ALA  35           H        ALA  35  -8.259   1.812   7.295
  304    HA   ALA  35           HA       ALA  35  -8.340   1.949  10.152
  305    HB1  ALA  35           3HB      ALA  35  -6.235   1.677   8.903
  306    HB2  ALA  35           1HB      ALA  35  -6.200   3.081   9.972
  307    HB3  ALA  35           2HB      ALA  35  -6.437   3.299   8.238
  308    H    GLU  36           H        GLU  36  -9.606   3.833   7.687
  309    HA   GLU  36           HA       GLU  36 -10.876   5.695   7.663
  310    HB2  GLU  36           2HB      GLU  36 -10.513   5.684  10.663
  311    HB3  GLU  36           3HB      GLU  36 -11.671   6.667   9.775
  312    HG2  GLU  36           2HG      GLU  36 -12.789   4.641   8.985
  313    HG3  GLU  36           3HG      GLU  36 -11.627   3.653   9.868
  314    H    GLN  37           H        GLN  37  -8.011   5.780   7.373
  315    HA   GLN  37           HA       GLN  37  -7.634   8.628   7.997
  316    HB2  GLN  37           2HB      GLN  37  -5.244   8.251   8.298
  317    HB3  GLN  37           3HB      GLN  37  -6.164   7.282   9.438
  318    HG2  GLN  37           2HG      GLN  37  -5.898   5.366   7.817
  319    HG3  GLN  37           3HG      GLN  37  -4.731   6.374   6.965
  320   HE21  GLN  37          1HE2      GLN  37  -3.001   5.041   7.390
  321   HE22  GLN  37          2HE2      GLN  37  -2.319   4.859   8.966
  322    H    ASP  38           H        ASP  38  -6.072   9.689   6.464
  323    HA   ASP  38           HA       ASP  38  -6.674   8.691   3.760
  324    HB2  ASP  38           2HB      ASP  38  -7.508  10.932   4.296
  325    HB3  ASP  38           3HB      ASP  38  -5.885  11.456   4.714
  326    H    ILE  39           H        ILE  39  -4.135   9.410   5.957
  327    HA   ILE  39           HA       ILE  39  -2.091   9.426   3.884
  328    HB   ILE  39           HB       ILE  39  -1.811   9.687   6.881
  329   HG12  ILE  39          2HG1      ILE  39  -1.689  11.841   4.765
  330   HG13  ILE  39          3HG1      ILE  39  -3.118  11.503   5.736
  331   HG21  ILE  39          1HG2      ILE  39   0.225   8.879   5.817
  332   HG22  ILE  39          2HG2      ILE  39   0.432  10.539   6.374
  333   HG23  ILE  39          3HG2      ILE  39   0.167  10.209   4.663
  334   HD11  ILE  39          3HD1      ILE  39  -1.907  12.064   7.752
  335   HD12  ILE  39          1HD1      ILE  39  -1.849  13.395   6.597
  336   HD13  ILE  39          2HD1      ILE  39  -0.441  12.354   6.811
  337    H    VAL  40           H        VAL  40  -1.169   7.607   3.223
  338    HA   VAL  40           HA       VAL  40  -1.412   5.221   4.891
  339    HB   VAL  40           HB       VAL  40  -0.755   3.922   2.975
  340   HG11  VAL  40          1HG1      VAL  40  -3.085   4.578   3.083
  341   HG12  VAL  40          2HG1      VAL  40  -2.549   4.470   1.409
  342   HG13  VAL  40          3HG1      VAL  40  -2.736   6.047   2.177
  343   HG21  VAL  40          3HG2      VAL  40  -0.240   4.952   0.808
  344   HG22  VAL  40          1HG2      VAL  40   0.951   5.362   2.045
  345   HG23  VAL  40          2HG2      VAL  40  -0.276   6.541   1.572
  346    H    THR  41           H        THR  41   0.240   4.227   5.844
  347    HA   THR  41           HA       THR  41   2.884   5.460   5.667
  348    HB   THR  41           HB       THR  41   3.348   3.976   7.678
  349    HG1  THR  41           HG1      THR  41   1.337   3.256   8.736
  350   HG21  THR  41          3HG2      THR  41   2.815   6.348   7.937
  351   HG22  THR  41          1HG2      THR  41   2.106   5.401   9.245
  352   HG23  THR  41          2HG2      THR  41   1.091   5.971   7.921
  353    HA   PRO  42           HA       PRO  42   4.684   2.071   3.412
  354    HB2  PRO  42           2HB      PRO  42   6.914   1.497   4.942
  355    HB3  PRO  42           3HB      PRO  42   6.824   2.791   3.742
  356    HG2  PRO  42           2HG      PRO  42   6.508   2.932   6.712
  357    HG3  PRO  42           3HG      PRO  42   7.342   4.051   5.618
  358    HD2  PRO  42           2HD      PRO  42   4.910   4.611   6.598
  359    HD3  PRO  42           3HD      PRO  42   5.361   5.060   4.938
  360    H    GLU  43           H        GLU  43   4.050   1.811   6.795
  361    HA   GLU  43           HA       GLU  43   4.371  -0.920   7.247
  362    HB2  GLU  43           2HB      GLU  43   3.999   0.704   9.028
  363    HB3  GLU  43           3HB      GLU  43   2.387   1.035   8.417
  364    HG2  GLU  43           2HG      GLU  43   1.651  -1.171   9.005
  365    HG3  GLU  43           3HG      GLU  43   3.290  -1.627   9.482
  366    H    LEU  44           H        LEU  44   1.480   0.894   6.243
  367    HA   LEU  44           HA       LEU  44  -0.166  -1.378   5.872
  368    HB2  LEU  44           2HB      LEU  44  -0.316   1.488   5.024
  369    HB3  LEU  44           3HB      LEU  44  -1.435   0.330   4.335
  370    HG   LEU  44           HG       LEU  44  -2.287  -0.200   6.579
  371   HD11  LEU  44          1HD1      LEU  44  -1.633   1.183   8.497
  372   HD12  LEU  44          2HD1      LEU  44  -0.365   1.920   7.517
  373   HD13  LEU  44          3HD1      LEU  44  -0.297   0.200   7.897
  374   HD21  LEU  44          3HD2      LEU  44  -2.244   2.749   5.967
  375   HD22  LEU  44          1HD2      LEU  44  -3.414   1.923   6.997
  376   HD23  LEU  44          2HD2      LEU  44  -3.346   1.561   5.273
  377    H    VAL  45           H        VAL  45   1.998   0.408   3.775
  378    HA   VAL  45           HA       VAL  45   1.318  -0.714   1.307
  379    HB   VAL  45           HB       VAL  45   4.034   0.189   2.285
  380   HG11  VAL  45          1HG1      VAL  45   4.610   0.427  -0.085
  381   HG12  VAL  45          2HG1      VAL  45   3.061  -0.288  -0.531
  382   HG13  VAL  45          3HG1      VAL  45   4.258  -1.250   0.333
  383   HG21  VAL  45          3HG2      VAL  45   1.895   1.634   0.728
  384   HG22  VAL  45          1HG2      VAL  45   3.498   2.268   1.093
  385   HG23  VAL  45          2HG2      VAL  45   2.361   1.940   2.401
  386    H    GLU  46           H        GLU  46   3.876  -1.726   3.579
  387    HA   GLU  46           HA       GLU  46   4.596  -4.048   2.149
  388    HB2  GLU  46           2HB      GLU  46   5.895  -2.849   4.014
  389    HB3  GLU  46           3HB      GLU  46   4.870  -3.739   5.132
  390    HG2  GLU  46           2HG      GLU  46   6.662  -5.134   5.030
  391    HG3  GLU  46           3HG      GLU  46   5.678  -5.803   3.731
  392    H    GLN  47           H        GLN  47   2.263  -3.430   4.708
  393    HA   GLN  47           HA       GLN  47   1.632  -6.024   5.461
  394    HB2  GLN  47           2HB      GLN  47   0.795  -3.608   6.245
  395    HB3  GLN  47           3HB      GLN  47  -0.586  -4.047   5.252
  396    HG2  GLN  47           2HG      GLN  47   0.490  -5.713   7.516
  397    HG3  GLN  47           3HG      GLN  47  -0.846  -4.575   7.657
  398   HE21  GLN  47          1HE2      GLN  47  -1.907  -5.233   5.035
  399   HE22  GLN  47          2HE2      GLN  47  -2.666  -6.780   5.177
  400    H    ALA  48           H        ALA  48   0.044  -4.028   2.960
  401    HA   ALA  48           HA       ALA  48  -1.696  -6.058   2.045
  402    HB1  ALA  48           3HB      ALA  48  -2.042  -3.672   1.572
  403    HB2  ALA  48           1HB      ALA  48  -2.045  -4.642   0.099
  404    HB3  ALA  48           2HB      ALA  48  -0.626  -3.684   0.520
  405    H    ARG  49           H        ARG  49   1.607  -5.240   1.324
  406    HA   ARG  49           HA       ARG  49   1.890  -6.749  -1.069
  407    HB2  ARG  49           2HB      ARG  49   3.397  -4.922  -0.307
  408    HB3  ARG  49           3HB      ARG  49   3.969  -5.977   0.974
  409    HG2  ARG  49           2HG      ARG  49   4.756  -7.561  -0.778
  410    HG3  ARG  49           3HG      ARG  49   4.331  -6.341  -1.987
  411    HD2  ARG  49           2HD      ARG  49   5.808  -4.740  -0.868
  412    HD3  ARG  49           3HD      ARG  49   6.237  -5.978   0.307
  413    HE   ARG  49           HE       ARG  49   6.753  -6.785  -2.393
  414   HH11  ARG  49          1HH1      ARG  49   8.009  -5.073   0.399
  415   HH12  ARG  49          2HH1      ARG  49   9.668  -5.166  -0.143
  416   HH21  ARG  49          1HH2      ARG  49   8.915  -6.859  -3.124
  417   HH22  ARG  49          2HH2      ARG  49  10.174  -6.126  -2.180
  418    H    LEU  50           H        LEU  50   2.210  -7.394   2.338
  419    HA   LEU  50           HA       LEU  50   3.351  -9.965   2.200
  420    HB2  LEU  50           2HB      LEU  50   2.749  -8.226   4.201
  421    HB3  LEU  50           3HB      LEU  50   1.450  -9.383   4.388
  422    HG   LEU  50           HG       LEU  50   3.418  -9.829   5.845
  423   HD11  LEU  50          1HD1      LEU  50   3.514 -12.229   5.400
  424   HD12  LEU  50          2HD1      LEU  50   2.781 -11.962   3.815
  425   HD13  LEU  50          3HD1      LEU  50   1.864 -11.613   5.283
  426   HD21  LEU  50          3HD2      LEU  50   5.167  -9.120   4.305
  427   HD22  LEU  50          1HD2      LEU  50   4.773 -10.457   3.223
  428   HD23  LEU  50          2HD2      LEU  50   5.430 -10.783   4.827
  429    H    GLU  51           H        GLU  51  -0.010  -8.844   2.360
  430    HA   GLU  51           HA       GLU  51  -1.246 -11.344   2.515
  431    HB2  GLU  51           2HB      GLU  51  -2.251  -8.783   1.271
  432    HB3  GLU  51           3HB      GLU  51  -3.254 -10.191   1.600
  433    HG2  GLU  51           2HG      GLU  51  -2.645  -9.973   4.005
  434    HG3  GLU  51           3HG      GLU  51  -1.827  -8.464   3.605
  435    H    PHE  52           H        PHE  52  -0.478  -9.373  -0.351
  436    HA   PHE  52           HA       PHE  52  -1.473 -11.299  -2.194
  437    HB2  PHE  52           2HB      PHE  52   0.377  -8.943  -2.565
  438    HB3  PHE  52           3HB      PHE  52  -0.154  -9.967  -3.894
  439    HD1  PHE  52           HD1      PHE  52  -2.774 -10.305  -4.017
  440    HD2  PHE  52           HD2      PHE  52  -0.820  -7.036  -2.119
  441    HE1  PHE  52           HE1      PHE  52  -4.819  -8.954  -4.244
  442    HE2  PHE  52           HE2      PHE  52  -2.859  -5.683  -2.342
  443    HZ   PHE  52           HZ       PHE  52  -4.864  -6.641  -3.404
  444    H    GLY  53           H        GLY  53   1.417 -11.061  -0.403
  445    HA2  GLY  53           2HA      GLY  53   2.970 -12.784  -2.128
  446    HA3  GLY  53           3HA      GLY  53   3.416 -12.232  -0.517
  447    H    GLN  54           H        GLN  54   0.700 -13.194   0.452
  448    HA   GLN  54           HA       GLN  54   1.566 -15.923   0.978
  449    HB2  GLN  54           2HB      GLN  54  -0.730 -14.350   2.152
  450    HB3  GLN  54           3HB      GLN  54  -0.199 -15.935   2.692
  451    HG2  GLN  54           2HG      GLN  54   1.346 -13.363   2.857
  452    HG3  GLN  54           3HG      GLN  54   0.608 -14.246   4.190
  453   HE21  GLN  54          1HE2      GLN  54   1.564 -16.160   4.907
  454   HE22  GLN  54          2HE2      GLN  54   3.206 -16.551   4.528
  455    H    LEU  55           H        LEU  55  -1.044 -14.174  -0.577
  456    HA   LEU  55           HA       LEU  55  -2.839 -16.284  -0.985
  457    HB2  LEU  55           2HB      LEU  55  -2.294 -13.885  -2.735
  458    HB3  LEU  55           3HB      LEU  55  -3.686 -14.938  -2.885
  459    HG   LEU  55           HG       LEU  55  -3.055 -13.230  -0.475
  460   HD11  LEU  55          1HD1      LEU  55  -4.961 -11.885  -1.192
  461   HD12  LEU  55          2HD1      LEU  55  -5.126 -12.881  -2.639
  462   HD13  LEU  55          3HD1      LEU  55  -3.685 -11.888  -2.411
  463   HD21  LEU  55          3HD2      LEU  55  -4.258 -15.250   0.121
  464   HD22  LEU  55          1HD2      LEU  55  -5.449 -14.932  -1.141
  465   HD23  LEU  55          2HD2      LEU  55  -5.318 -13.844   0.241
  466    H    GLU  56           H        GLU  56  -0.758 -14.888  -3.493
  467    HA   GLU  56           HA       GLU  56  -0.052 -17.594  -4.384
  468    HB2  GLU  56           2HB      GLU  56  -0.730 -15.331  -6.280
  469    HB3  GLU  56           3HB      GLU  56  -0.293 -16.971  -6.721
  470    HG2  GLU  56           2HG      GLU  56  -2.543 -17.042  -7.027
  471    HG3  GLU  56           3HG      GLU  56  -2.438 -17.583  -5.353
  472    H    HIS  57           H        HIS  57   1.560 -16.814  -6.501
  473    HA   HIS  57           HA       HIS  57   3.482 -15.832  -7.183
  474    HB2  HIS  57           2HB      HIS  57   3.198 -13.766  -5.006
  475    HB3  HIS  57           3HB      HIS  57   4.022 -13.613  -6.550
  476    HD1  HIS  57           HD1      HIS  57   0.930 -12.810  -4.891
  477    HD2  HIS  57           HD2      HIS  57   2.062 -13.655  -8.805
  478    HE1  HIS  57           HE1      HIS  57  -0.934 -11.945  -6.339
  479    HE2  HIS  57           HE2      HIS  57  -0.330 -12.662  -8.675
  480    H    HIS  58           H        HIS  58   4.849 -17.448  -6.650
  481    HA   HIS  58           HA       HIS  58   6.837 -18.187  -5.836
  482    HB2  HIS  58           2HB      HIS  58   6.667 -15.769  -4.035
  483    HB3  HIS  58           3HB      HIS  58   8.012 -16.901  -4.014
  484    HD1  HIS  58           HD1      HIS  58   9.929 -16.019  -5.245
  485    HD2  HIS  58           HD2      HIS  58   6.332 -14.804  -6.941
  486    HE1  HIS  58           HE1      HIS  58  10.555 -14.598  -7.226
  487    HE2  HIS  58           HE2      HIS  58   8.366 -13.692  -8.088
  488    H    HIS  59           H        HIS  59   5.239 -16.918  -2.910
  489    HA   HIS  59           HA       HIS  59   5.339 -17.744  -0.792
  490    HB2  HIS  59           2HB      HIS  59   3.819 -19.593  -0.387
  491    HB3  HIS  59           3HB      HIS  59   3.147 -18.506  -1.588
  492    HD1  HIS  59           HD1      HIS  59   4.223 -22.000  -1.037
  493    HD2  HIS  59           HD2      HIS  59   2.915 -19.629  -4.198
  494    HE1  HIS  59           HE1      HIS  59   3.607 -23.601  -2.874
  495    HE2  HIS  59           HE2      HIS  59   2.649 -22.160  -4.704
  496    H    HIS  60           H        HIS  60   7.719 -17.976  -1.662
  497    HA   HIS  60           HA       HIS  60   8.736 -20.525  -0.681
  498    HB2  HIS  60           2HB      HIS  60   8.578 -20.880  -3.084
  499    HB3  HIS  60           3HB      HIS  60   9.368 -19.341  -3.400
  500    HD1  HIS  60           HD1      HIS  60  11.723 -19.619  -4.084
  501    HD2  HIS  60           HD2      HIS  60  10.506 -22.632  -1.489
  502    HE1  HIS  60           HE1      HIS  60  13.708 -21.137  -3.832
  503    HE2  HIS  60           HE2      HIS  60  12.991 -22.889  -2.168
  504    H    HIS  61           H        HIS  61  10.482 -20.192   0.586
  505    HA   HIS  61           HA       HIS  61  11.446 -17.471   0.918
  506    HB2  HIS  61           2HB      HIS  61  12.234 -20.008   2.382
  507    HB3  HIS  61           3HB      HIS  61  12.718 -18.375   2.827
  508    HD1  HIS  61           HD1      HIS  61  11.005 -16.936   4.092
  509    HD2  HIS  61           HD2      HIS  61   9.575 -20.685   2.994
  510    HE1  HIS  61           HE1      HIS  61   8.869 -17.249   5.370
  511    HE2  HIS  61           HE2      HIS  61   7.979 -19.492   4.642
  512    H    HIS  62           H        HIS  62  13.974 -17.463   1.425
  513    HA   HIS  62           HA       HIS  62  15.278 -18.641  -0.923
  514    HB2  HIS  62           2HB      HIS  62  15.463 -16.166  -0.548
  515    HB3  HIS  62           3HB      HIS  62  16.321 -16.498   0.950
  516    HD1  HIS  62           HD1      HIS  62  18.781 -17.064   0.792
  517    HD2  HIS  62           HD2      HIS  62  16.923 -16.798  -2.914
  518    HE1  HIS  62           HE1      HIS  62  20.641 -17.103  -0.902
  519    HE2  HIS  62           HE2      HIS  62  19.500 -16.673  -3.105
  Start of MODEL   11
    1    H1   MET   1           1H       MET   1  -9.793  11.410  -3.529
    2    H2   MET   1           2H       MET   1 -11.123  11.384  -4.572
    3    H3   MET   1           3H       MET   1  -9.704  12.187  -5.032
    4    HA   MET   1           HA       MET   1 -10.042   9.270  -4.639
    5    HB2  MET   1           2HB      MET   1  -9.520  10.937  -7.112
    6    HB3  MET   1           3HB      MET   1  -9.465   9.180  -7.067
    7    HG2  MET   1           2HG      MET   1 -11.826   9.133  -6.418
    8    HG3  MET   1           3HG      MET   1 -11.874  10.892  -6.497
    9    HE1  MET   1           3HE      MET   1 -10.024  11.442  -9.095
   10    HE2  MET   1           1HE      MET   1 -11.531  12.279  -8.721
   11    HE3  MET   1           2HE      MET   1 -11.297  11.559 -10.313
   12    H    ASN   2           H        ASN   2  -8.209   8.037  -4.667
   13    HA   ASN   2           HA       ASN   2  -6.069   7.497  -4.158
   14    HB2  ASN   2           2HB      ASN   2  -5.457  10.159  -5.451
   15    HB3  ASN   2           3HB      ASN   2  -4.204   9.146  -4.745
   16   HD21  ASN   2          1HD2      ASN   2  -6.389   9.591  -7.366
   17   HD22  ASN   2          2HD2      ASN   2  -5.816   8.290  -8.355
   18    H    LEU   3           H        LEU   3  -4.895   7.550  -2.306
   19    HA   LEU   3           HA       LEU   3  -5.697   9.627  -0.403
   20    HB2  LEU   3           2HB      LEU   3  -4.300   6.990   0.041
   21    HB3  LEU   3           3HB      LEU   3  -4.754   8.114   1.308
   22    HG   LEU   3           HG       LEU   3  -6.626   6.574  -0.487
   23   HD11  LEU   3          1HD1      LEU   3  -6.080   6.451   2.472
   24   HD12  LEU   3          2HD1      LEU   3  -5.672   5.223   1.272
   25   HD13  LEU   3          3HD1      LEU   3  -7.361   5.572   1.640
   26   HD21  LEU   3          3HD2      LEU   3  -7.265   8.587   1.666
   27   HD22  LEU   3          1HD2      LEU   3  -8.434   7.589   0.800
   28   HD23  LEU   3          2HD2      LEU   3  -7.505   8.812  -0.068
   29    H    ARG   4           H        ARG   4  -3.838   9.988   1.307
   30    HA   ARG   4           HA       ARG   4  -1.675  11.206  -0.171
   31    HB2  ARG   4           2HB      ARG   4  -2.560  11.242   2.695
   32    HB3  ARG   4           3HB      ARG   4  -0.977  11.856   2.241
   33    HG2  ARG   4           2HG      ARG   4  -1.984  13.487   0.780
   34    HG3  ARG   4           3HG      ARG   4  -3.589  12.828   1.113
   35    HD2  ARG   4           2HD      ARG   4  -3.695  13.757   3.180
   36    HD3  ARG   4           3HD      ARG   4  -1.957  13.630   3.444
   37    HE   ARG   4           HE       ARG   4  -2.224  15.523   1.488
   38   HH11  ARG   4          1HH1      ARG   4  -3.596  15.135   4.685
   39   HH12  ARG   4          2HH1      ARG   4  -3.511  16.834   5.063
   40   HH21  ARG   4          1HH2      ARG   4  -2.119  17.736   1.961
   41   HH22  ARG   4          2HH2      ARG   4  -2.675  18.322   3.504
   42    H    TRP   5           H        TRP   5   0.061  10.130  -0.684
   43    HA   TRP   5           HA       TRP   5   0.866   7.826   0.924
   44    HB2  TRP   5           2HB      TRP   5   1.678   8.751  -1.839
   45    HB3  TRP   5           3HB      TRP   5   2.408   7.375  -1.017
   46    HD1  TRP   5           HD1      TRP   5  -1.169   8.475  -2.093
   47    HE1  TRP   5           HE1      TRP   5  -2.455   6.369  -2.831
   48    HE3  TRP   5           HE3      TRP   5   2.423   4.976  -1.119
   49    HZ2  TRP   5           HZ2      TRP   5  -1.979   3.592  -3.009
   50    HZ3  TRP   5           HZ3      TRP   5   1.932   2.615  -1.607
   51    HH2  TRP   5           HH2      TRP   5  -0.227   1.940  -2.527
   52    H    THR   6           H        THR   6   2.585   7.899   2.208
   53    HA   THR   6           HA       THR   6   4.052  10.344   2.499
   54    HB   THR   6           HB       THR   6   5.329   9.091   4.233
   55    HG1  THR   6           HG1      THR   6   3.886   6.939   4.543
   56   HG21  THR   6          3HG2      THR   6   2.322   8.846   4.390
   57   HG22  THR   6          1HG2      THR   6   3.283  10.252   4.852
   58   HG23  THR   6          2HG2      THR   6   3.424   8.746   5.762
   59    H    SER   7           H        SER   7   6.524  10.266   2.543
   60    HA   SER   7           HA       SER   7   7.429   9.699  -0.043
   61    HB2  SER   7           2HB      SER   7   9.081  10.087   2.465
   62    HB3  SER   7           3HB      SER   7   9.657  10.261   0.805
   63    HG   SER   7           HG       SER   7   8.428  12.073   2.353
   64    H    GLU   8           H        GLU   8   7.769   7.885   2.963
   65    HA   GLU   8           HA       GLU   8   9.406   5.830   1.881
   66    HB2  GLU   8           2HB      GLU   8   7.655   5.911   4.339
   67    HB3  GLU   8           3HB      GLU   8   8.753   4.593   3.956
   68    HG2  GLU   8           2HG      GLU   8   9.618   7.447   4.311
   69    HG3  GLU   8           3HG      GLU   8   9.631   6.240   5.597
   70    H    ALA   9           H        ALA   9   5.919   6.248   2.283
   71    HA   ALA   9           HA       ALA   9   5.149   3.631   1.569
   72    HB1  ALA   9           3HB      ALA   9   3.610   6.198   1.194
   73    HB2  ALA   9           1HB      ALA   9   3.627   5.213   2.655
   74    HB3  ALA   9           2HB      ALA   9   2.939   4.568   1.165
   75    H    LYS  10           H        LYS  10   5.623   6.567  -0.353
   76    HA   LYS  10           HA       LYS  10   4.871   5.582  -2.852
   77    HB2  LYS  10           2HB      LYS  10   7.058   7.565  -2.176
   78    HB3  LYS  10           3HB      LYS  10   6.393   7.314  -3.783
   79    HG2  LYS  10           2HG      LYS  10   4.261   8.157  -3.112
   80    HG3  LYS  10           3HG      LYS  10   4.757   8.206  -1.417
   81    HD2  LYS  10           2HD      LYS  10   6.492   9.869  -2.021
   82    HD3  LYS  10           3HD      LYS  10   5.874   9.869  -3.672
   83    HE2  LYS  10           2HE      LYS  10   4.219  10.568  -1.251
   84    HE3  LYS  10           3HE      LYS  10   5.057  11.756  -2.244
   85    HZ1  LYS  10           3HZ      LYS  10   3.747  10.950  -4.160
   86    HZ2  LYS  10           1HZ      LYS  10   2.789  11.621  -2.930
   87    HZ3  LYS  10           2HZ      LYS  10   2.874   9.939  -3.117
   88    H    THR  11           H        THR  11   8.024   5.479  -1.226
   89    HA   THR  11           HA       THR  11   9.416   4.131  -3.269
   90    HB   THR  11           HB       THR  11   9.953   4.082  -0.291
   91    HG1  THR  11           HG1      THR  11  11.144   5.795  -2.228
   92   HG21  THR  11          3HG2      THR  11  12.273   3.654  -0.946
   93   HG22  THR  11          1HG2      THR  11  11.790   3.614  -2.642
   94   HG23  THR  11          2HG2      THR  11  11.205   2.378  -1.529
   95    H    LYS  12           H        LYS  12   7.662   2.937  -0.416
   96    HA   LYS  12           HA       LYS  12   8.288   0.222  -0.707
   97    HB2  LYS  12           2HB      LYS  12   5.961   1.647   0.562
   98    HB3  LYS  12           3HB      LYS  12   6.085  -0.105   0.566
   99    HG2  LYS  12           2HG      LYS  12   8.236   1.687   1.659
  100    HG3  LYS  12           3HG      LYS  12   6.903   1.069   2.635
  101    HD2  LYS  12           2HD      LYS  12   7.582  -1.227   2.088
  102    HD3  LYS  12           3HD      LYS  12   8.926  -0.594   1.135
  103    HE2  LYS  12           2HE      LYS  12   9.898   0.412   3.106
  104    HE3  LYS  12           3HE      LYS  12   8.514  -0.085   4.078
  105    HZ1  LYS  12           3HZ      LYS  12  10.436  -1.544   4.368
  106    HZ2  LYS  12           1HZ      LYS  12  10.397  -1.943   2.719
  107    HZ3  LYS  12           2HZ      LYS  12   9.103  -2.382   3.729
  108    H    LEU  13           H        LEU  13   5.620   2.140  -2.058
  109    HA   LEU  13           HA       LEU  13   4.218   0.011  -3.241
  110    HB2  LEU  13           2HB      LEU  13   3.307   2.294  -2.986
  111    HB3  LEU  13           3HB      LEU  13   4.421   2.870  -4.210
  112    HG   LEU  13           HG       LEU  13   3.320   1.417  -5.881
  113   HD11  LEU  13          1HD1      LEU  13   1.397   0.802  -3.640
  114   HD12  LEU  13          2HD1      LEU  13   2.523  -0.332  -4.389
  115   HD13  LEU  13          3HD1      LEU  13   1.191   0.342  -5.331
  116   HD21  LEU  13          3HD2      LEU  13   1.489   3.295  -4.385
  117   HD22  LEU  13          1HD2      LEU  13   1.188   2.676  -6.011
  118   HD23  LEU  13          2HD2      LEU  13   2.582   3.713  -5.704
  119    H    LYS  14           H        LYS  14   6.931   1.949  -4.379
  120    HA   LYS  14           HA       LYS  14   6.952   0.848  -7.013
  121    HB2  LYS  14           2HB      LYS  14   9.051   2.376  -5.474
  122    HB3  LYS  14           3HB      LYS  14   9.201   1.928  -7.168
  123    HG2  LYS  14           2HG      LYS  14   7.276   3.275  -7.734
  124    HG3  LYS  14           3HG      LYS  14   7.018   3.661  -6.032
  125    HD2  LYS  14           2HD      LYS  14   9.197   4.781  -5.963
  126    HD3  LYS  14           3HD      LYS  14   9.441   4.398  -7.669
  127    HE2  LYS  14           2HE      LYS  14   7.507   5.738  -8.272
  128    HE3  LYS  14           3HE      LYS  14   7.184   6.071  -6.571
  129    HZ1  LYS  14           3HZ      LYS  14   8.341   7.895  -7.707
  130    HZ2  LYS  14           1HZ      LYS  14   9.658   6.869  -8.011
  131    HZ3  LYS  14           2HZ      LYS  14   9.244   7.269  -6.414
  132    H    ASN  15           H        ASN  15   7.837  -0.451  -4.055
  133    HA   ASN  15           HA       ASN  15   9.934  -2.160  -5.136
  134    HB2  ASN  15           2HB      ASN  15   8.855  -1.587  -2.426
  135    HB3  ASN  15           3HB      ASN  15   9.549  -3.184  -2.692
  136   HD21  ASN  15          1HD2      ASN  15  10.193   0.259  -2.687
  137   HD22  ASN  15          2HD2      ASN  15  11.925   0.120  -2.560
  138    H    ILE  16           H        ILE  16   6.598  -2.113  -4.949
  139    HA   ILE  16           HA       ILE  16   6.221  -4.980  -4.807
  140    HB   ILE  16           HB       ILE  16   4.238  -2.799  -5.503
  141   HG12  ILE  16          2HG1      ILE  16   4.730  -4.215  -2.875
  142   HG13  ILE  16          3HG1      ILE  16   5.226  -2.568  -3.242
  143   HG21  ILE  16          1HG2      ILE  16   3.784  -5.669  -4.691
  144   HG22  ILE  16          2HG2      ILE  16   3.545  -5.000  -6.306
  145   HG23  ILE  16          3HG2      ILE  16   2.529  -4.463  -4.969
  146   HD11  ILE  16          3HD1      ILE  16   3.219  -2.572  -1.907
  147   HD12  ILE  16          1HD1      ILE  16   2.398  -3.583  -3.096
  148   HD13  ILE  16          2HD1      ILE  16   2.874  -1.937  -3.516
  149    HA   PRO  17           HA       PRO  17   7.064  -5.803  -9.107
  150    HB2  PRO  17           2HB      PRO  17   4.924  -7.840  -8.729
  151    HB3  PRO  17           3HB      PRO  17   6.553  -8.027  -9.384
  152    HG2  PRO  17           2HG      PRO  17   5.977  -8.870  -6.926
  153    HG3  PRO  17           3HG      PRO  17   7.533  -8.100  -7.287
  154    HD2  PRO  17           2HD      PRO  17   5.148  -6.991  -5.881
  155    HD3  PRO  17           3HD      PRO  17   6.873  -6.700  -5.581
  156    H    PHE  18           H        PHE  18   6.245  -5.046 -10.964
  157    HA   PHE  18           HA       PHE  18   4.146  -3.265 -11.020
  158    HB2  PHE  18           2HB      PHE  18   5.848  -3.264 -12.731
  159    HB3  PHE  18           3HB      PHE  18   5.349  -4.854 -13.296
  160    HD1  PHE  18           HD2      PHE  18   4.223  -1.335 -12.979
  161    HD2  PHE  18           HD1      PHE  18   3.703  -5.079 -14.935
  162    HE1  PHE  18           HE2      PHE  18   2.683  -0.280 -14.580
  163    HE2  PHE  18           HE1      PHE  18   2.160  -4.030 -16.540
  164    HZ   PHE  18           HZ       PHE  18   1.650  -1.628 -16.364
  165    H    PHE  19           H        PHE  19   4.075  -6.698 -11.773
  166    HA   PHE  19           HA       PHE  19   1.568  -6.794 -13.020
  167    HB2  PHE  19           2HB      PHE  19   2.916  -8.967 -11.407
  168    HB3  PHE  19           3HB      PHE  19   1.648  -9.196 -12.606
  169    HD1  PHE  19           HD1      PHE  19   2.139  -8.680 -15.007
  170    HD2  PHE  19           HD2      PHE  19   5.176  -8.825 -12.030
  171    HE1  PHE  19           HE1      PHE  19   3.845  -8.912 -16.764
  172    HE2  PHE  19           HE2      PHE  19   6.889  -9.056 -13.780
  173    HZ   PHE  19           HZ       PHE  19   6.225  -9.100 -16.152
  174    H    ALA  20           H        ALA  20   2.410  -6.502  -9.674
  175    HA   ALA  20           HA       ALA  20  -0.416  -6.937  -8.950
  176    HB1  ALA  20           3HB      ALA  20   1.983  -7.621  -7.251
  177    HB2  ALA  20           1HB      ALA  20   1.013  -8.781  -8.160
  178    HB3  ALA  20           2HB      ALA  20   0.288  -7.875  -6.832
  179    H    ARG  21           H        ARG  21   1.806  -4.610  -9.325
  180    HA   ARG  21           HA       ARG  21   1.826  -3.316  -6.802
  181    HB2  ARG  21           2HB      ARG  21   3.575  -2.934  -8.468
  182    HB3  ARG  21           3HB      ARG  21   2.405  -2.187  -9.547
  183    HG2  ARG  21           2HG      ARG  21   2.106  -0.344  -8.070
  184    HG3  ARG  21           3HG      ARG  21   3.042  -1.135  -6.801
  185    HD2  ARG  21           2HD      ARG  21   4.316   0.625  -7.960
  186    HD3  ARG  21           3HD      ARG  21   5.054  -0.966  -8.126
  187    HE   ARG  21           HE       ARG  21   4.740  -0.843 -10.386
  188   HH11  ARG  21          1HH1      ARG  21   2.730   1.572  -8.846
  189   HH12  ARG  21          2HH1      ARG  21   2.290   2.349 -10.335
  190   HH21  ARG  21          1HH2      ARG  21   4.174   0.165 -12.341
  191   HH22  ARG  21          2HH2      ARG  21   3.106   1.534 -12.331
  192    H    SER  22           H        SER  22  -0.055  -2.748  -9.760
  193    HA   SER  22           HA       SER  22  -1.554  -0.573  -8.819
  194    HB2  SER  22           2HB      SER  22  -2.686  -2.637 -10.694
  195    HB3  SER  22           3HB      SER  22  -2.871  -0.882 -10.732
  196    HG   SER  22           HG       SER  22  -1.351  -1.073 -12.210
  197    H    GLN  23           H        GLN  23  -2.014  -4.046  -8.585
  198    HA   GLN  23           HA       GLN  23  -4.612  -4.016  -7.473
  199    HB2  GLN  23           2HB      GLN  23  -3.354  -5.955  -8.581
  200    HB3  GLN  23           3HB      GLN  23  -2.532  -6.157  -7.043
  201    HG2  GLN  23           2HG      GLN  23  -4.293  -7.714  -7.065
  202    HG3  GLN  23           3HG      GLN  23  -4.801  -6.413  -5.987
  203   HE21  GLN  23          1HE2      GLN  23  -5.281  -7.938  -9.071
  204   HE22  GLN  23          2HE2      GLN  23  -6.805  -7.189  -9.433
  205    H    ALA  24           H        ALA  24  -1.376  -4.286  -6.061
  206    HA   ALA  24           HA       ALA  24  -2.170  -4.510  -3.380
  207    HB1  ALA  24           3HB      ALA  24   0.394  -3.355  -4.462
  208    HB2  ALA  24           1HB      ALA  24   0.080  -5.066  -4.180
  209    HB3  ALA  24           2HB      ALA  24   0.122  -3.942  -2.822
  210    H    LYS  25           H        LYS  25  -1.322  -1.672  -5.329
  211    HA   LYS  25           HA       LYS  25  -1.440   0.277  -3.361
  212    HB2  LYS  25           2HB      LYS  25  -0.609   0.909  -5.478
  213    HB3  LYS  25           3HB      LYS  25  -2.050   0.344  -6.308
  214    HG2  LYS  25           2HG      LYS  25  -3.315   2.193  -5.594
  215    HG3  LYS  25           3HG      LYS  25  -2.112   2.648  -4.387
  216    HD2  LYS  25           2HD      LYS  25  -0.629   3.459  -5.997
  217    HD3  LYS  25           3HD      LYS  25  -1.426   2.583  -7.302
  218    HE2  LYS  25           2HE      LYS  25  -1.861   5.003  -7.373
  219    HE3  LYS  25           3HE      LYS  25  -3.323   4.050  -7.187
  220    HZ1  LYS  25           3HZ      LYS  25  -3.332   4.577  -4.827
  221    HZ2  LYS  25           1HZ      LYS  25  -3.335   5.993  -5.758
  222    HZ3  LYS  25           2HZ      LYS  25  -1.907   5.484  -5.010
  223    H    ALA  26           H        ALA  26  -4.079  -1.074  -5.311
  224    HA   ALA  26           HA       ALA  26  -6.134   0.560  -4.323
  225    HB1  ALA  26           3HB      ALA  26  -7.663  -1.156  -5.116
  226    HB2  ALA  26           1HB      ALA  26  -6.331  -2.308  -5.243
  227    HB3  ALA  26           2HB      ALA  26  -6.374  -0.889  -6.290
  228    H    ARG  27           H        ARG  27  -4.769  -2.474  -3.121
  229    HA   ARG  27           HA       ARG  27  -6.626  -2.777  -0.985
  230    HB2  ARG  27           2HB      ARG  27  -5.148  -4.595  -1.963
  231    HB3  ARG  27           3HB      ARG  27  -3.821  -3.887  -1.054
  232    HG2  ARG  27           2HG      ARG  27  -4.654  -5.684   0.238
  233    HG3  ARG  27           3HG      ARG  27  -5.214  -4.202   1.016
  234    HD2  ARG  27           2HD      ARG  27  -7.368  -4.472  -0.240
  235    HD3  ARG  27           3HD      ARG  27  -6.795  -6.059  -0.752
  236    HE   ARG  27           HE       ARG  27  -7.784  -5.307   1.851
  237   HH11  ARG  27          1HH1      ARG  27  -5.904  -7.636   0.048
  238   HH12  ARG  27          2HH1      ARG  27  -6.105  -8.908   1.214
  239   HH21  ARG  27          1HH2      ARG  27  -8.092  -6.966   3.372
  240   HH22  ARG  27          2HH2      ARG  27  -7.354  -8.525   3.114
  241    H    ILE  28           H        ILE  28  -3.409  -1.318  -1.244
  242    HA   ILE  28           HA       ILE  28  -2.923  -0.792   1.452
  243    HB   ILE  28           HB       ILE  28  -2.146   0.909  -0.923
  244   HG12  ILE  28          2HG1      ILE  28  -0.531  -1.207   0.506
  245   HG13  ILE  28          3HG1      ILE  28  -1.432  -1.506  -0.975
  246   HG21  ILE  28          1HG2      ILE  28  -0.356   1.764   0.502
  247   HG22  ILE  28          2HG2      ILE  28  -0.963   0.805   1.851
  248   HG23  ILE  28          3HG2      ILE  28  -1.940   2.118   1.194
  249   HD11  ILE  28          3HD1      ILE  28   0.848   0.429  -0.641
  250   HD12  ILE  28          1HD1      ILE  28  -0.068   0.170  -2.126
  251   HD13  ILE  28          2HD1      ILE  28   0.909  -1.135  -1.451
  252    H    GLU  29           H        GLU  29  -4.429   1.330  -0.978
  253    HA   GLU  29           HA       GLU  29  -5.041   3.364   0.905
  254    HB2  GLU  29           2HB      GLU  29  -6.143   2.849  -1.863
  255    HB3  GLU  29           3HB      GLU  29  -6.382   4.331  -0.941
  256    HG2  GLU  29           2HG      GLU  29  -3.969   4.707  -0.914
  257    HG3  GLU  29           3HG      GLU  29  -3.726   3.220  -1.821
  258    H    GLN  30           H        GLN  30  -6.631   0.445  -0.076
  259    HA   GLN  30           HA       GLN  30  -9.191   1.051   1.027
  260    HB2  GLN  30           2HB      GLN  30  -8.810  -0.807  -0.561
  261    HB3  GLN  30           3HB      GLN  30  -7.851  -1.639   0.656
  262    HG2  GLN  30           2HG      GLN  30  -9.863  -1.676   2.120
  263    HG3  GLN  30           3HG      GLN  30 -10.789  -1.012   0.772
  264   HE21  GLN  30          1HE2      GLN  30 -11.129  -2.278  -1.063
  265   HE22  GLN  30          2HE2      GLN  30 -10.964  -4.007  -1.016
  266    H    LEU  31           H        LEU  31  -6.296  -0.581   2.254
  267    HA   LEU  31           HA       LEU  31  -7.231  -1.255   4.799
  268    HB2  LEU  31           2HB      LEU  31  -4.438  -0.546   3.895
  269    HB3  LEU  31           3HB      LEU  31  -4.826  -1.296   5.432
  270    HG   LEU  31           HG       LEU  31  -5.487  -2.565   2.776
  271   HD11  LEU  31          1HD1      LEU  31  -3.068  -2.266   2.960
  272   HD12  LEU  31          2HD1      LEU  31  -3.523  -3.965   3.097
  273   HD13  LEU  31          3HD1      LEU  31  -3.091  -3.046   4.542
  274   HD21  LEU  31          3HD2      LEU  31  -5.295  -3.693   5.564
  275   HD22  LEU  31          1HD2      LEU  31  -5.712  -4.588   4.105
  276   HD23  LEU  31          2HD2      LEU  31  -6.792  -3.330   4.707
  277    H    ALA  32           H        ALA  32  -5.726   1.718   3.606
  278    HA   ALA  32           HA       ALA  32  -5.546   3.034   6.093
  279    HB1  ALA  32           3HB      ALA  32  -5.877   4.234   3.346
  280    HB2  ALA  32           1HB      ALA  32  -4.348   3.805   4.114
  281    HB3  ALA  32           2HB      ALA  32  -5.346   5.093   4.795
  282    H    ARG  33           H        ARG  33  -8.120   2.919   3.667
  283    HA   ARG  33           HA       ARG  33  -9.866   4.701   4.970
  284    HB2  ARG  33           2HB      ARG  33 -10.294   2.525   2.939
  285    HB3  ARG  33           3HB      ARG  33 -11.629   3.487   3.566
  286    HG2  ARG  33           2HG      ARG  33 -10.643   5.506   2.729
  287    HG3  ARG  33           3HG      ARG  33  -9.187   4.642   2.244
  288    HD2  ARG  33           2HD      ARG  33 -11.889   3.928   1.148
  289    HD3  ARG  33           3HD      ARG  33 -10.903   5.198   0.427
  290    HE   ARG  33           HE       ARG  33  -9.358   2.866   0.716
  291   HH11  ARG  33          1HH1      ARG  33 -12.018   4.126  -1.192
  292   HH12  ARG  33          2HH1      ARG  33 -11.637   3.158  -2.586
  293   HH21  ARG  33          1HH2      ARG  33  -8.872   1.577  -1.123
  294   HH22  ARG  33          2HH2      ARG  33  -9.853   1.716  -2.550
  295    H    GLN  34           H        GLN  34  -9.203   1.301   5.443
  296    HA   GLN  34           HA       GLN  34 -11.411   0.756   7.145
  297    HB2  GLN  34           2HB      GLN  34  -8.660  -0.500   7.133
  298    HB3  GLN  34           3HB      GLN  34 -10.059  -1.133   7.988
  299    HG2  GLN  34           2HG      GLN  34 -11.211  -1.362   5.795
  300    HG3  GLN  34           3HG      GLN  34  -9.703  -0.895   5.012
  301   HE21  GLN  34          1HE2      GLN  34  -8.111  -2.320   7.069
  302   HE22  GLN  34          2HE2      GLN  34  -8.242  -3.999   6.659
  303    H    ALA  35           H        ALA  35  -8.225   2.119   7.643
  304    HA   ALA  35           HA       ALA  35  -8.540   2.294  10.514
  305    HB1  ALA  35           3HB      ALA  35  -6.416   3.439   8.702
  306    HB2  ALA  35           1HB      ALA  35  -6.331   1.898   9.554
  307    HB3  ALA  35           2HB      ALA  35  -6.360   3.408  10.467
  308    H    GLU  36           H        GLU  36  -9.662   4.004   7.905
  309    HA   GLU  36           HA       GLU  36 -10.903   5.893   7.722
  310    HB2  GLU  36           2HB      GLU  36 -10.537   6.063  10.718
  311    HB3  GLU  36           3HB      GLU  36 -11.625   7.076   9.776
  312    HG2  GLU  36           2HG      GLU  36 -12.920   5.151   9.126
  313    HG3  GLU  36           3HG      GLU  36 -11.790   4.077   9.948
  314    H    GLN  37           H        GLN  37  -8.050   5.875   7.416
  315    HA   GLN  37           HA       GLN  37  -7.523   8.727   7.928
  316    HB2  GLN  37           2HB      GLN  37  -5.118   8.186   7.991
  317    HB3  GLN  37           3HB      GLN  37  -6.009   7.362   9.265
  318    HG2  GLN  37           2HG      GLN  37  -6.037   5.326   7.817
  319    HG3  GLN  37           3HG      GLN  37  -4.964   6.175   6.705
  320   HE21  GLN  37          1HE2      GLN  37  -3.279   4.737   6.985
  321   HE22  GLN  37          2HE2      GLN  37  -2.365   4.636   8.448
  322    H    ASP  38           H        ASP  38  -6.641   9.923   6.226
  323    HA   ASP  38           HA       ASP  38  -6.997   8.671   3.599
  324    HB2  ASP  38           2HB      ASP  38  -6.980  11.528   4.536
  325    HB3  ASP  38           3HB      ASP  38  -6.714  11.145   2.840
  326    H    ILE  39           H        ILE  39  -4.627   8.701   5.608
  327    HA   ILE  39           HA       ILE  39  -2.565   9.260   3.573
  328    HB   ILE  39           HB       ILE  39  -2.240   9.442   6.580
  329   HG12  ILE  39          2HG1      ILE  39  -2.301  11.670   4.534
  330   HG13  ILE  39          3HG1      ILE  39  -3.628  11.272   5.621
  331   HG21  ILE  39          1HG2      ILE  39  -0.043  10.399   6.060
  332   HG22  ILE  39          2HG2      ILE  39  -0.334  10.130   4.343
  333   HG23  ILE  39          3HG2      ILE  39  -0.198   8.756   5.439
  334   HD11  ILE  39          3HD1      ILE  39  -0.886  12.182   6.465
  335   HD12  ILE  39          1HD1      ILE  39  -2.244  11.827   7.535
  336   HD13  ILE  39          2HD1      ILE  39  -2.339  13.182   6.408
  337    H    VAL  40           H        VAL  40  -1.192   7.593   3.127
  338    HA   VAL  40           HA       VAL  40  -1.578   5.148   4.713
  339    HB   VAL  40           HB       VAL  40  -0.854   3.849   2.843
  340   HG11  VAL  40          1HG1      VAL  40  -2.791   5.961   1.906
  341   HG12  VAL  40          2HG1      VAL  40  -3.191   4.504   2.819
  342   HG13  VAL  40          3HG1      VAL  40  -2.567   4.371   1.176
  343   HG21  VAL  40          3HG2      VAL  40  -0.230   4.867   0.683
  344   HG22  VAL  40          1HG2      VAL  40   0.907   5.248   1.976
  345   HG23  VAL  40          2HG2      VAL  40  -0.268   6.455   1.448
  346    H    THR  41           H        THR  41   0.136   4.083   5.568
  347    HA   THR  41           HA       THR  41   2.723   5.466   5.465
  348    HB   THR  41           HB       THR  41   3.210   4.160   7.559
  349    HG1  THR  41           HG1      THR  41   1.101   3.428   8.584
  350   HG21  THR  41          3HG2      THR  41   1.779   5.530   9.025
  351   HG22  THR  41          1HG2      THR  41   0.791   5.966   7.632
  352   HG23  THR  41          2HG2      THR  41   2.477   6.475   7.710
  353    HA   PRO  42           HA       PRO  42   4.695   2.023   3.455
  354    HB2  PRO  42           2HB      PRO  42   6.831   1.506   5.143
  355    HB3  PRO  42           3HB      PRO  42   6.814   2.760   3.900
  356    HG2  PRO  42           2HG      PRO  42   6.309   2.998   6.839
  357    HG3  PRO  42           3HG      PRO  42   7.210   4.084   5.762
  358    HD2  PRO  42           2HD      PRO  42   4.720   4.664   6.562
  359    HD3  PRO  42           3HD      PRO  42   5.273   5.050   4.917
  360    H    GLU  43           H        GLU  43   3.942   1.845   6.830
  361    HA   GLU  43           HA       GLU  43   4.214  -0.869   7.376
  362    HB2  GLU  43           2HB      GLU  43   3.796   0.721   9.122
  363    HB3  GLU  43           3HB      GLU  43   2.284   1.225   8.382
  364    HG2  GLU  43           2HG      GLU  43   1.386  -1.046   8.824
  365    HG3  GLU  43           3HG      GLU  43   2.871  -1.406   9.706
  366    H    LEU  44           H        LEU  44   1.420   0.928   6.125
  367    HA   LEU  44           HA       LEU  44  -0.262  -1.349   5.881
  368    HB2  LEU  44           2HB      LEU  44  -0.373   1.469   4.885
  369    HB3  LEU  44           3HB      LEU  44  -1.493   0.284   4.242
  370    HG   LEU  44           HG       LEU  44  -2.370  -0.127   6.497
  371   HD11  LEU  44          1HD1      LEU  44  -0.362   0.368   7.798
  372   HD12  LEU  44          2HD1      LEU  44  -1.740   1.316   8.362
  373   HD13  LEU  44          3HD1      LEU  44  -0.497   2.073   7.362
  374   HD21  LEU  44          3HD2      LEU  44  -3.385   1.577   5.067
  375   HD22  LEU  44          1HD2      LEU  44  -2.315   2.793   5.765
  376   HD23  LEU  44          2HD2      LEU  44  -3.519   1.992   6.777
  377    H    VAL  45           H        VAL  45   1.844   0.389   3.655
  378    HA   VAL  45           HA       VAL  45   1.195  -0.951   1.288
  379    HB   VAL  45           HB       VAL  45   3.941   0.047   2.077
  380   HG11  VAL  45          1HG1      VAL  45   3.960  -1.381   0.105
  381   HG12  VAL  45          2HG1      VAL  45   4.277   0.294  -0.342
  382   HG13  VAL  45          3HG1      VAL  45   2.687  -0.409  -0.628
  383   HG21  VAL  45          3HG2      VAL  45   2.253   1.794   2.363
  384   HG22  VAL  45          1HG2      VAL  45   1.691   1.525   0.715
  385   HG23  VAL  45          2HG2      VAL  45   3.315   2.147   1.001
  386    H    GLU  46           H        GLU  46   3.609  -1.691   3.767
  387    HA   GLU  46           HA       GLU  46   4.713  -3.982   2.622
  388    HB2  GLU  46           2HB      GLU  46   5.403  -2.643   4.730
  389    HB3  GLU  46           3HB      GLU  46   4.278  -3.692   5.582
  390    HG2  GLU  46           2HG      GLU  46   6.364  -4.692   5.858
  391    HG3  GLU  46           3HG      GLU  46   5.579  -5.633   4.587
  392    H    GLN  47           H        GLN  47   2.083  -3.696   5.007
  393    HA   GLN  47           HA       GLN  47   1.483  -6.396   5.243
  394    HB2  GLN  47           2HB      GLN  47  -0.119  -3.900   5.656
  395    HB3  GLN  47           3HB      GLN  47  -0.893  -5.472   5.789
  396    HG2  GLN  47           2HG      GLN  47   1.490  -4.557   7.378
  397    HG3  GLN  47           3HG      GLN  47  -0.175  -4.606   7.956
  398   HE21  GLN  47          1HE2      GLN  47  -0.765  -7.099   6.562
  399   HE22  GLN  47          2HE2      GLN  47   0.032  -8.351   7.454
  400    H    ALA  48           H        ALA  48   0.166  -4.006   2.976
  401    HA   ALA  48           HA       ALA  48  -1.679  -5.704   1.721
  402    HB1  ALA  48           3HB      ALA  48  -1.633  -4.127  -0.129
  403    HB2  ALA  48           1HB      ALA  48  -0.157  -3.403   0.509
  404    HB3  ALA  48           2HB      ALA  48  -1.664  -3.278   1.417
  405    H    ARG  49           H        ARG  49   1.774  -5.174   1.140
  406    HA   ARG  49           HA       ARG  49   1.898  -6.729  -1.235
  407    HB2  ARG  49           2HB      ARG  49   3.654  -5.114  -0.633
  408    HB3  ARG  49           3HB      ARG  49   4.099  -6.121   0.740
  409    HG2  ARG  49           2HG      ARG  49   4.583  -7.970  -0.858
  410    HG3  ARG  49           3HG      ARG  49   4.310  -6.831  -2.176
  411    HD2  ARG  49           2HD      ARG  49   6.144  -5.479  -1.479
  412    HD3  ARG  49           3HD      ARG  49   6.321  -6.401   0.012
  413    HE   ARG  49           HE       ARG  49   6.628  -8.242  -1.991
  414   HH11  ARG  49          1HH1      ARG  49   8.246  -5.276  -1.060
  415   HH12  ARG  49          2HH1      ARG  49   9.774  -5.748  -1.751
  416   HH21  ARG  49          1HH2      ARG  49   8.612  -8.874  -2.886
  417   HH22  ARG  49          2HH2      ARG  49   9.986  -7.805  -2.779
  418    H    LEU  50           H        LEU  50   2.295  -7.432   2.188
  419    HA   LEU  50           HA       LEU  50   3.158 -10.109   1.855
  420    HB2  LEU  50           2HB      LEU  50   2.598  -8.337   4.018
  421    HB3  LEU  50           3HB      LEU  50   1.766  -9.851   4.312
  422    HG   LEU  50           HG       LEU  50   3.942  -9.904   5.362
  423   HD11  LEU  50          1HD1      LEU  50   4.857 -11.923   4.299
  424   HD12  LEU  50          2HD1      LEU  50   3.829 -11.635   2.894
  425   HD13  LEU  50          3HD1      LEU  50   3.102 -11.996   4.459
  426   HD21  LEU  50          3HD2      LEU  50   5.997  -9.744   4.049
  427   HD22  LEU  50          1HD2      LEU  50   5.057  -8.256   3.944
  428   HD23  LEU  50          2HD2      LEU  50   5.051  -9.400   2.600
  429    H    GLU  51           H        GLU  51  -0.022  -8.620   2.116
  430    HA   GLU  51           HA       GLU  51  -1.575 -10.936   2.372
  431    HB2  GLU  51           2HB      GLU  51  -2.179  -8.349   0.926
  432    HB3  GLU  51           3HB      GLU  51  -3.374  -9.594   1.261
  433    HG2  GLU  51           2HG      GLU  51  -1.794  -8.148   3.373
  434    HG3  GLU  51           3HG      GLU  51  -3.411  -7.685   2.843
  435    H    PHE  52           H        PHE  52  -0.371  -9.283  -0.525
  436    HA   PHE  52           HA       PHE  52  -1.510 -11.273  -2.275
  437    HB2  PHE  52           2HB      PHE  52   0.339  -8.942  -2.798
  438    HB3  PHE  52           3HB      PHE  52  -0.242 -10.022  -4.060
  439    HD1  PHE  52           HD1      PHE  52  -2.761 -10.234  -4.362
  440    HD2  PHE  52           HD2      PHE  52  -0.934  -7.110  -2.133
  441    HE1  PHE  52           HE1      PHE  52  -4.809  -8.886  -4.584
  442    HE2  PHE  52           HE2      PHE  52  -2.977  -5.756  -2.346
  443    HZ   PHE  52           HZ       PHE  52  -4.917  -6.644  -3.574
  444    H    GLY  53           H        GLY  53   1.512 -10.712  -0.688
  445    HA2  GLY  53           2HA      GLY  53   3.141 -12.481  -2.162
  446    HA3  GLY  53           3HA      GLY  53   3.378 -12.027  -0.475
  447    H    GLN  54           H        GLN  54   0.864 -12.978   0.473
  448    HA   GLN  54           HA       GLN  54   1.448 -15.781   0.697
  449    HB2  GLN  54           2HB      GLN  54  -0.752 -14.048   1.820
  450    HB3  GLN  54           3HB      GLN  54  -0.694 -15.786   2.076
  451    HG2  GLN  54           2HG      GLN  54   1.468 -13.855   2.878
  452    HG3  GLN  54           3HG      GLN  54   0.226 -14.489   3.953
  453   HE21  GLN  54          1HE2      GLN  54   1.660 -15.480   5.313
  454   HE22  GLN  54          2HE2      GLN  54   2.564 -16.890   4.870
  455    H    LEU  55           H        LEU  55  -0.802 -13.789  -1.081
  456    HA   LEU  55           HA       LEU  55  -2.623 -15.713  -1.942
  457    HB2  LEU  55           2HB      LEU  55  -1.909 -13.045  -2.656
  458    HB3  LEU  55           3HB      LEU  55  -2.039 -13.986  -4.129
  459    HG   LEU  55           HG       LEU  55  -4.324 -14.667  -3.458
  460   HD11  LEU  55          1HD1      LEU  55  -5.426 -13.489  -1.621
  461   HD12  LEU  55          2HD1      LEU  55  -3.899 -12.710  -1.206
  462   HD13  LEU  55          3HD1      LEU  55  -4.068 -14.457  -1.045
  463   HD21  LEU  55          3HD2      LEU  55  -4.013 -12.771  -4.949
  464   HD22  LEU  55          1HD2      LEU  55  -3.827 -11.695  -3.564
  465   HD23  LEU  55          2HD2      LEU  55  -5.375 -12.482  -3.867
  466    H    GLU  56           H        GLU  56   0.657 -15.113  -2.906
  467    HA   GLU  56           HA       GLU  56   0.556 -16.713  -5.275
  468    HB2  GLU  56           2HB      GLU  56   2.895 -15.619  -3.705
  469    HB3  GLU  56           3HB      GLU  56   3.035 -16.452  -5.246
  470    HG2  GLU  56           2HG      GLU  56   1.560 -13.877  -4.761
  471    HG3  GLU  56           3HG      GLU  56   3.139 -14.045  -5.528
  472    H    HIS  57           H        HIS  57  -0.494 -18.519  -4.003
  473    HA   HIS  57           HA       HIS  57   1.548 -20.309  -2.887
  474    HB2  HIS  57           2HB      HIS  57  -1.467 -20.553  -3.027
  475    HB3  HIS  57           3HB      HIS  57  -0.417 -21.858  -2.490
  476    HD1  HIS  57           HD1      HIS  57   1.302 -20.902  -0.422
  477    HD2  HIS  57           HD2      HIS  57  -2.463 -19.211  -0.927
  478    HE1  HIS  57           HE1      HIS  57   0.753 -19.800   1.775
  479    HE2  HIS  57           HE2      HIS  57  -1.438 -18.613   1.377
  480    H    HIS  58           H        HIS  58  -1.212 -20.680  -5.099
  481    HA   HIS  58           HA       HIS  58   0.501 -21.762  -7.171
  482    HB2  HIS  58           2HB      HIS  58   0.079 -23.739  -5.790
  483    HB3  HIS  58           3HB      HIS  58  -1.651 -23.435  -5.847
  484    HD1  HIS  58           HD1      HIS  58   1.197 -24.735  -7.899
  485    HD2  HIS  58           HD2      HIS  58  -2.927 -24.284  -8.171
  486    HE1  HIS  58           HE1      HIS  58   0.495 -26.078  -9.910
  487    HE2  HIS  58           HE2      HIS  58  -2.025 -25.896  -9.974
  488    H    HIS  59           H        HIS  59  -0.192 -20.244  -8.630
  489    HA   HIS  59           HA       HIS  59  -3.082 -19.936  -9.000
  490    HB2  HIS  59           2HB      HIS  59  -0.720 -18.267  -9.754
  491    HB3  HIS  59           3HB      HIS  59  -2.207 -18.116 -10.684
  492    HD1  HIS  59           HD1      HIS  59  -0.566 -16.872  -7.711
  493    HD2  HIS  59           HD2      HIS  59  -4.498 -17.394  -8.969
  494    HE1  HIS  59           HE1      HIS  59  -1.962 -15.407  -6.213
  495    HE2  HIS  59           HE2      HIS  59  -4.302 -15.574  -7.138
  496    H    HIS  60           H        HIS  60  -4.035 -21.153 -10.418
  497    HA   HIS  60           HA       HIS  60  -2.565 -22.163 -12.741
  498    HB2  HIS  60           2HB      HIS  60  -3.873 -23.773 -11.367
  499    HB3  HIS  60           3HB      HIS  60  -5.337 -22.867 -11.731
  500    HD1  HIS  60           HD1      HIS  60  -6.457 -23.286 -13.991
  501    HD2  HIS  60           HD2      HIS  60  -2.814 -25.253 -13.550
  502    HE1  HIS  60           HE1      HIS  60  -6.323 -24.910 -15.904
  503    HE2  HIS  60           HE2      HIS  60  -4.200 -26.214 -15.515
  504    H    HIS  61           H        HIS  61  -5.021 -19.939 -11.763
  505    HA   HIS  61           HA       HIS  61  -5.838 -19.495 -14.544
  506    HB2  HIS  61           2HB      HIS  61  -7.607 -19.833 -12.803
  507    HB3  HIS  61           3HB      HIS  61  -7.058 -18.354 -12.024
  508    HD1  HIS  61           HD1      HIS  61  -7.773 -16.130 -13.060
  509    HD2  HIS  61           HD2      HIS  61  -8.963 -19.453 -15.266
  510    HE1  HIS  61           HE1      HIS  61  -9.393 -15.265 -14.778
  511    HE2  HIS  61           HE2      HIS  61 -10.184 -17.306 -16.029
  512    H    HIS  62           H        HIS  62  -5.374 -17.703 -15.615
  513    HA   HIS  62           HA       HIS  62  -4.423 -15.337 -14.219
  514    HB2  HIS  62           2HB      HIS  62  -2.487 -15.183 -15.911
  515    HB3  HIS  62           3HB      HIS  62  -2.298 -16.291 -14.562
  516    HD1  HIS  62           HD1      HIS  62  -2.656 -16.209 -18.284
  517    HD2  HIS  62           HD2      HIS  62  -2.283 -19.009 -15.235
  518    HE1  HIS  62           HE1      HIS  62  -2.141 -18.390 -19.423
  519    HE2  HIS  62           HE2      HIS  62  -2.162 -20.103 -17.572
  Start of MODEL   12
    1    H1   MET   1           1H       MET   1 -10.629  10.165  -3.478
    2    H2   MET   1           2H       MET   1 -10.260   9.180  -2.150
    3    H3   MET   1           3H       MET   1 -11.605   8.827  -3.117
    4    HA   MET   1           HA       MET   1  -9.711   7.360  -3.536
    5    HB2  MET   1           2HB      MET   1  -9.808   7.481  -5.955
    6    HB3  MET   1           3HB      MET   1 -11.400   7.792  -5.285
    7    HG2  MET   1           2HG      MET   1  -9.491   9.907  -6.258
    8    HG3  MET   1           3HG      MET   1 -10.831   9.243  -7.189
    9    HE1  MET   1           3HE      MET   1 -10.420  12.363  -6.708
   10    HE2  MET   1           1HE      MET   1 -12.073  12.859  -6.346
   11    HE3  MET   1           2HE      MET   1 -11.764  11.686  -7.626
   12    H    ASN   2           H        ASN   2  -7.602   7.075  -4.124
   13    HA   ASN   2           HA       ASN   2  -5.396   7.518  -4.075
   14    HB2  ASN   2           2HB      ASN   2  -6.364   9.903  -5.608
   15    HB3  ASN   2           3HB      ASN   2  -4.664   9.751  -5.172
   16   HD21  ASN   2          1HD2      ASN   2  -7.205   8.612  -7.198
   17   HD22  ASN   2          2HD2      ASN   2  -6.241   7.540  -8.155
   18    H    LEU   3           H        LEU   3  -4.933   7.567  -2.011
   19    HA   LEU   3           HA       LEU   3  -5.605   9.864  -0.367
   20    HB2  LEU   3           2HB      LEU   3  -4.213   7.289   0.363
   21    HB3  LEU   3           3HB      LEU   3  -4.882   8.464   1.480
   22    HG   LEU   3           HG       LEU   3  -6.462   6.756  -0.447
   23   HD11  LEU   3          1HD1      LEU   3  -5.563   5.522   1.453
   24   HD12  LEU   3          2HD1      LEU   3  -7.313   5.695   1.570
   25   HD13  LEU   3          3HD1      LEU   3  -6.258   6.709   2.554
   26   HD21  LEU   3          3HD2      LEU   3  -7.397   8.756   1.607
   27   HD22  LEU   3          1HD2      LEU   3  -8.432   7.687   0.660
   28   HD23  LEU   3          2HD2      LEU   3  -7.494   8.947  -0.144
   29    H    ARG   4           H        ARG   4  -3.747  10.350   1.375
   30    HA   ARG   4           HA       ARG   4  -1.524  11.371  -0.150
   31    HB2  ARG   4           2HB      ARG   4  -2.261  11.495   2.763
   32    HB3  ARG   4           3HB      ARG   4  -0.696  12.053   2.193
   33    HG2  ARG   4           2HG      ARG   4  -1.913  13.581   0.629
   34    HG3  ARG   4           3HG      ARG   4  -3.406  13.120   1.451
   35    HD2  ARG   4           2HD      ARG   4  -2.508  13.941   3.564
   36    HD3  ARG   4           3HD      ARG   4  -0.991  14.359   2.769
   37    HE   ARG   4           HE       ARG   4  -3.412  15.601   1.722
   38   HH11  ARG   4          1HH1      ARG   4  -0.560  15.911   3.752
   39   HH12  ARG   4          2HH1      ARG   4  -0.614  17.651   3.765
   40   HH21  ARG   4          1HH2      ARG   4  -3.474  17.895   1.769
   41   HH22  ARG   4          2HH2      ARG   4  -2.244  18.762   2.641
   42    H    TRP   5           H        TRP   5  -0.105   9.952  -0.852
   43    HA   TRP   5           HA       TRP   5   0.734   7.719   0.787
   44    HB2  TRP   5           2HB      TRP   5   1.511   8.612  -1.991
   45    HB3  TRP   5           3HB      TRP   5   2.242   7.232  -1.185
   46    HD1  TRP   5           HD1      TRP   5  -1.289   8.383  -2.314
   47    HE1  TRP   5           HE1      TRP   5  -2.634   6.280  -2.961
   48    HE3  TRP   5           HE3      TRP   5   2.171   4.822  -1.096
   49    HZ2  TRP   5           HZ2      TRP   5  -2.251   3.489  -2.973
   50    HZ3  TRP   5           HZ3      TRP   5   1.603   2.454  -1.460
   51    HH2  TRP   5           HH2      TRP   5  -0.565   1.804  -2.377
   52    H    THR   6           H        THR   6   2.389   7.789   2.152
   53    HA   THR   6           HA       THR   6   4.099  10.061   2.350
   54    HB   THR   6           HB       THR   6   5.354   8.660   4.017
   55    HG1  THR   6           HG1      THR   6   3.337   6.727   3.954
   56   HG21  THR   6          3HG2      THR   6   2.355   8.805   4.326
   57   HG22  THR   6          1HG2      THR   6   3.531  10.032   4.805
   58   HG23  THR   6          2HG2      THR   6   3.483   8.477   5.643
   59    H    SER   7           H        SER   7   6.431  10.039   2.049
   60    HA   SER   7           HA       SER   7   7.227   9.129  -0.455
   61    HB2  SER   7           2HB      SER   7   9.043   9.742   1.885
   62    HB3  SER   7           3HB      SER   7   9.467   9.808   0.175
   63    HG   SER   7           HG       SER   7   8.443  11.731   1.673
   64    H    GLU   8           H        GLU   8   7.628   7.637   2.715
   65    HA   GLU   8           HA       GLU   8   9.264   5.489   1.822
   66    HB2  GLU   8           2HB      GLU   8   7.489   5.675   4.263
   67    HB3  GLU   8           3HB      GLU   8   8.736   4.463   3.996
   68    HG2  GLU   8           2HG      GLU   8  10.422   6.251   3.931
   69    HG3  GLU   8           3HG      GLU   8   9.158   7.427   4.288
   70    H    ALA   9           H        ALA   9   5.781   5.936   2.192
   71    HA   ALA   9           HA       ALA   9   5.038   3.271   1.606
   72    HB1  ALA   9           3HB      ALA   9   3.471   5.811   1.163
   73    HB2  ALA   9           1HB      ALA   9   3.494   4.860   2.646
   74    HB3  ALA   9           2HB      ALA   9   2.813   4.177   1.171
   75    H    LYS  10           H        LYS  10   5.407   6.163  -0.406
   76    HA   LYS  10           HA       LYS  10   4.730   5.049  -2.874
   77    HB2  LYS  10           2HB      LYS  10   6.718   7.223  -2.206
   78    HB3  LYS  10           3HB      LYS  10   6.169   6.856  -3.836
   79    HG2  LYS  10           2HG      LYS  10   3.951   7.523  -3.334
   80    HG3  LYS  10           3HG      LYS  10   4.301   7.613  -1.607
   81    HD2  LYS  10           2HD      LYS  10   4.214   9.837  -2.618
   82    HD3  LYS  10           3HD      LYS  10   5.825   9.473  -2.000
   83    HE2  LYS  10           2HE      LYS  10   6.560   8.904  -4.268
   84    HE3  LYS  10           3HE      LYS  10   4.949   9.273  -4.882
   85    HZ1  LYS  10           3HZ      LYS  10   6.718  11.219  -3.499
   86    HZ2  LYS  10           1HZ      LYS  10   5.214  11.552  -4.212
   87    HZ3  LYS  10           2HZ      LYS  10   6.536  11.110  -5.181
   88    H    THR  11           H        THR  11   7.841   5.124  -1.188
   89    HA   THR  11           HA       THR  11   9.335   3.890  -3.250
   90    HB   THR  11           HB       THR  11   9.923   3.842  -0.283
   91    HG1  THR  11           HG1      THR  11   9.691   5.991  -0.919
   92   HG21  THR  11          3HG2      THR  11  11.737   3.615  -2.689
   93   HG22  THR  11          1HG2      THR  11  11.302   2.300  -1.593
   94   HG23  THR  11          2HG2      THR  11  12.262   3.659  -1.006
   95    H    LYS  12           H        LYS  12   7.497   2.642  -0.512
   96    HA   LYS  12           HA       LYS  12   8.280  -0.076  -0.861
   97    HB2  LYS  12           2HB      LYS  12   6.122   1.329   0.664
   98    HB3  LYS  12           3HB      LYS  12   6.050  -0.417   0.478
   99    HG2  LYS  12           2HG      LYS  12   8.427   1.038   1.597
  100    HG3  LYS  12           3HG      LYS  12   7.117   0.381   2.582
  101    HD2  LYS  12           2HD      LYS  12   7.567  -1.851   1.603
  102    HD3  LYS  12           3HD      LYS  12   8.944  -1.163   0.740
  103    HE2  LYS  12           2HE      LYS  12  10.039  -0.627   2.799
  104    HE3  LYS  12           3HE      LYS  12   8.613  -1.078   3.731
  105    HZ1  LYS  12           3HZ      LYS  12  10.295  -2.804   3.796
  106    HZ2  LYS  12           1HZ      LYS  12  10.275  -2.933   2.104
  107    HZ3  LYS  12           2HZ      LYS  12   8.904  -3.368   3.006
  108    H    LEU  13           H        LEU  13   5.600   1.893  -2.042
  109    HA   LEU  13           HA       LEU  13   4.132  -0.182  -3.247
  110    HB2  LEU  13           2HB      LEU  13   3.245   2.092  -2.881
  111    HB3  LEU  13           3HB      LEU  13   4.348   2.712  -4.095
  112    HG   LEU  13           HG       LEU  13   3.196   1.296  -5.791
  113   HD11  LEU  13          1HD1      LEU  13   2.304  -0.414  -4.316
  114   HD12  LEU  13          2HD1      LEU  13   1.004   0.354  -5.229
  115   HD13  LEU  13          3HD1      LEU  13   1.266   0.779  -3.537
  116   HD21  LEU  13          3HD2      LEU  13   1.213   2.707  -5.961
  117   HD22  LEU  13          1HD2      LEU  13   2.629   3.655  -5.510
  118   HD23  LEU  13          2HD2      LEU  13   1.431   3.224  -4.290
  119    H    LYS  14           H        LYS  14   6.755   1.868  -4.438
  120    HA   LYS  14           HA       LYS  14   6.770   0.744  -7.064
  121    HB2  LYS  14           2HB      LYS  14   8.863   2.330  -5.569
  122    HB3  LYS  14           3HB      LYS  14   8.963   1.906  -7.274
  123    HG2  LYS  14           2HG      LYS  14   7.016   3.222  -7.767
  124    HG3  LYS  14           3HG      LYS  14   6.757   3.549  -6.052
  125    HD2  LYS  14           2HD      LYS  14   8.893   4.744  -5.959
  126    HD3  LYS  14           3HD      LYS  14   9.153   4.412  -7.674
  127    HE2  LYS  14           2HE      LYS  14   6.825   5.969  -6.554
  128    HE3  LYS  14           3HE      LYS  14   8.286   6.695  -7.225
  129    HZ1  LYS  14           3HZ      LYS  14   6.432   4.913  -8.720
  130    HZ2  LYS  14           1HZ      LYS  14   7.790   5.712  -9.348
  131    HZ3  LYS  14           2HZ      LYS  14   6.452   6.604  -8.824
  132    H    ASN  15           H        ASN  15   7.870  -0.348  -4.056
  133    HA   ASN  15           HA       ASN  15  10.027  -1.994  -5.001
  134    HB2  ASN  15           2HB      ASN  15   9.589  -1.110  -2.592
  135    HB3  ASN  15           3HB      ASN  15   8.483  -2.471  -2.460
  136   HD21  ASN  15          1HD2      ASN  15  11.739  -1.442  -2.579
  137   HD22  ASN  15          2HD2      ASN  15  12.478  -2.963  -2.231
  138    H    ILE  16           H        ILE  16   6.616  -2.178  -4.725
  139    HA   ILE  16           HA       ILE  16   6.401  -5.043  -4.970
  140    HB   ILE  16           HB       ILE  16   4.295  -2.882  -5.247
  141   HG12  ILE  16          2HG1      ILE  16   4.997  -4.640  -2.889
  142   HG13  ILE  16          3HG1      ILE  16   5.372  -2.925  -3.033
  143   HG21  ILE  16          1HG2      ILE  16   3.981  -5.859  -4.891
  144   HG22  ILE  16          2HG2      ILE  16   3.596  -4.932  -6.342
  145   HG23  ILE  16          3HG2      ILE  16   2.670  -4.679  -4.862
  146   HD11  ILE  16          3HD1      ILE  16   3.025  -2.376  -3.019
  147   HD12  ILE  16          1HD1      ILE  16   3.425  -3.361  -1.611
  148   HD13  ILE  16          2HD1      ILE  16   2.596  -4.088  -2.990
  149    HA   PRO  17           HA       PRO  17   7.038  -5.348  -9.344
  150    HB2  PRO  17           2HB      PRO  17   5.147  -7.384  -9.748
  151    HB3  PRO  17           3HB      PRO  17   6.860  -7.604  -9.387
  152    HG2  PRO  17           2HG      PRO  17   4.511  -7.703  -7.563
  153    HG3  PRO  17           3HG      PRO  17   6.011  -8.645  -7.519
  154    HD2  PRO  17           2HD      PRO  17   5.584  -6.636  -5.806
  155    HD3  PRO  17           3HD      PRO  17   7.199  -6.938  -6.487
  156    H    PHE  18           H        PHE  18   6.165  -4.395 -11.109
  157    HA   PHE  18           HA       PHE  18   3.966  -2.695 -10.822
  158    HB2  PHE  18           2HB      PHE  18   4.173  -2.233 -13.199
  159    HB3  PHE  18           3HB      PHE  18   5.772  -2.343 -12.475
  160    HD1  PHE  18           HD2      PHE  18   7.211  -4.276 -12.947
  161    HD2  PHE  18           HD1      PHE  18   3.439  -3.789 -14.855
  162    HE1  PHE  18           HE2      PHE  18   7.859  -5.936 -14.640
  163    HE2  PHE  18           HE1      PHE  18   4.080  -5.448 -16.552
  164    HZ   PHE  18           HZ       PHE  18   6.293  -6.525 -16.447
  165    H    PHE  19           H        PHE  19   4.132  -5.991 -11.774
  166    HA   PHE  19           HA       PHE  19   1.706  -6.247 -13.172
  167    HB2  PHE  19           2HB      PHE  19   3.462  -7.935 -13.260
  168    HB3  PHE  19           3HB      PHE  19   3.277  -8.252 -11.539
  169    HD1  PHE  19           HD1      PHE  19   1.426  -8.388 -14.759
  170    HD2  PHE  19           HD2      PHE  19   1.857  -9.923 -10.815
  171    HE1  PHE  19           HE1      PHE  19  -0.216 -10.148 -15.270
  172    HE2  PHE  19           HE2      PHE  19   0.218 -11.685 -11.315
  173    HZ   PHE  19           HZ       PHE  19  -0.823 -11.798 -13.545
  174    H    ALA  20           H        ALA  20   2.455  -6.093  -9.772
  175    HA   ALA  20           HA       ALA  20  -0.387  -6.605  -9.154
  176    HB1  ALA  20           3HB      ALA  20   2.035  -7.345  -7.508
  177    HB2  ALA  20           1HB      ALA  20   0.973  -8.456  -8.375
  178    HB3  ALA  20           2HB      ALA  20   0.357  -7.545  -6.996
  179    H    ARG  21           H        ARG  21   1.636  -4.176  -9.470
  180    HA   ARG  21           HA       ARG  21   1.712  -2.991  -6.886
  181    HB2  ARG  21           2HB      ARG  21   3.386  -2.533  -8.644
  182    HB3  ARG  21           3HB      ARG  21   2.154  -1.688  -9.572
  183    HG2  ARG  21           2HG      ARG  21   1.989   0.033  -7.957
  184    HG3  ARG  21           3HG      ARG  21   2.943  -0.881  -6.789
  185    HD2  ARG  21           2HD      ARG  21   4.299   0.856  -7.763
  186    HD3  ARG  21           3HD      ARG  21   4.885  -0.722  -8.286
  187    HE   ARG  21           HE       ARG  21   3.035   0.548 -10.111
  188   HH11  ARG  21          1HH1      ARG  21   6.373   0.078  -9.187
  189   HH12  ARG  21          2HH1      ARG  21   7.016   0.604 -10.711
  190   HH21  ARG  21          1HH2      ARG  21   3.865   1.205 -12.136
  191   HH22  ARG  21          2HH2      ARG  21   5.584   1.244 -12.401
  192    H    SER  22           H        SER  22  -0.296  -2.404  -9.760
  193    HA   SER  22           HA       SER  22  -1.766  -0.279  -8.596
  194    HB2  SER  22           2HB      SER  22  -1.608  -0.804 -11.066
  195    HB3  SER  22           3HB      SER  22  -2.731  -2.132 -10.782
  196    HG   SER  22           HG       SER  22  -4.316  -0.691 -10.238
  197    H    GLN  23           H        GLN  23  -2.203  -3.760  -8.735
  198    HA   GLN  23           HA       GLN  23  -4.722  -3.931  -7.508
  199    HB2  GLN  23           2HB      GLN  23  -3.683  -5.823  -8.644
  200    HB3  GLN  23           3HB      GLN  23  -2.380  -5.850  -7.466
  201    HG2  GLN  23           2HG      GLN  23  -3.906  -7.628  -6.990
  202    HG3  GLN  23           3HG      GLN  23  -4.017  -6.423  -5.713
  203   HE21  GLN  23          1HE2      GLN  23  -5.634  -7.931  -8.381
  204   HE22  GLN  23          2HE2      GLN  23  -7.201  -7.270  -8.072
  205    H    ALA  24           H        ALA  24  -1.433  -3.975  -6.148
  206    HA   ALA  24           HA       ALA  24  -2.180  -4.244  -3.451
  207    HB1  ALA  24           3HB      ALA  24   0.104  -4.623  -4.213
  208    HB2  ALA  24           1HB      ALA  24   0.063  -3.425  -2.920
  209    HB3  ALA  24           2HB      ALA  24   0.274  -2.910  -4.595
  210    H    LYS  25           H        LYS  25  -1.619  -1.381  -5.456
  211    HA   LYS  25           HA       LYS  25  -1.841   0.594  -3.536
  212    HB2  LYS  25           2HB      LYS  25  -1.200   1.050  -5.852
  213    HB3  LYS  25           3HB      LYS  25  -2.821   0.644  -6.397
  214    HG2  LYS  25           2HG      LYS  25  -3.728   2.538  -5.186
  215    HG3  LYS  25           3HG      LYS  25  -2.124   2.927  -4.566
  216    HD2  LYS  25           2HD      LYS  25  -1.348   3.279  -6.880
  217    HD3  LYS  25           3HD      LYS  25  -2.984   2.956  -7.458
  218    HE2  LYS  25           2HE      LYS  25  -2.249   5.161  -5.536
  219    HE3  LYS  25           3HE      LYS  25  -2.430   5.377  -7.272
  220    HZ1  LYS  25           3HZ      LYS  25  -4.543   4.608  -5.326
  221    HZ2  LYS  25           1HZ      LYS  25  -4.752   4.561  -7.008
  222    HZ3  LYS  25           2HZ      LYS  25  -4.443   6.032  -6.239
  223    H    ALA  26           H        ALA  26  -4.415  -0.995  -5.384
  224    HA   ALA  26           HA       ALA  26  -6.578   0.460  -4.368
  225    HB1  ALA  26           3HB      ALA  26  -6.705  -1.026  -6.327
  226    HB2  ALA  26           1HB      ALA  26  -7.966  -1.375  -5.146
  227    HB3  ALA  26           2HB      ALA  26  -6.553  -2.423  -5.263
  228    H    ARG  27           H        ARG  27  -4.955  -2.436  -3.180
  229    HA   ARG  27           HA       ARG  27  -6.749  -2.975  -1.052
  230    HB2  ARG  27           2HB      ARG  27  -3.818  -3.692  -1.164
  231    HB3  ARG  27           3HB      ARG  27  -5.069  -4.487  -0.221
  232    HG2  ARG  27           2HG      ARG  27  -4.901  -4.449  -3.223
  233    HG3  ARG  27           3HG      ARG  27  -4.415  -5.785  -2.181
  234    HD2  ARG  27           2HD      ARG  27  -6.688  -6.064  -1.415
  235    HD3  ARG  27           3HD      ARG  27  -7.202  -4.641  -2.324
  236    HE   ARG  27           HE       ARG  27  -6.652  -5.885  -4.366
  237   HH11  ARG  27          1HH1      ARG  27  -7.202  -7.678  -1.402
  238   HH12  ARG  27          2HH1      ARG  27  -7.511  -9.183  -2.225
  239   HH21  ARG  27          1HH2      ARG  27  -7.083  -7.836  -5.437
  240   HH22  ARG  27          2HH2      ARG  27  -7.449  -9.269  -4.527
  241    H    ILE  28           H        ILE  28  -3.619  -1.314  -1.189
  242    HA   ILE  28           HA       ILE  28  -3.307  -0.789   1.530
  243    HB   ILE  28           HB       ILE  28  -2.338   0.879  -0.802
  244   HG12  ILE  28          2HG1      ILE  28  -0.847  -1.253   0.736
  245   HG13  ILE  28          3HG1      ILE  28  -1.720  -1.588  -0.757
  246   HG21  ILE  28          1HG2      ILE  28  -0.606   1.660   0.745
  247   HG22  ILE  28          2HG2      ILE  28  -1.354   0.733   2.045
  248   HG23  ILE  28          3HG2      ILE  28  -2.221   2.084   1.315
  249   HD11  ILE  28          3HD1      ILE  28   0.643  -1.279  -1.179
  250   HD12  ILE  28          1HD1      ILE  28   0.583   0.322  -0.440
  251   HD13  ILE  28          2HD1      ILE  28  -0.295   0.007  -1.938
  252    H    GLU  29           H        GLU  29  -4.792   1.239  -0.996
  253    HA   GLU  29           HA       GLU  29  -5.374   3.375   0.796
  254    HB2  GLU  29           2HB      GLU  29  -6.521   2.768  -1.936
  255    HB3  GLU  29           3HB      GLU  29  -6.725   4.283  -1.063
  256    HG2  GLU  29           2HG      GLU  29  -4.284   4.597  -1.089
  257    HG3  GLU  29           3HG      GLU  29  -4.126   3.116  -2.030
  258    H    GLN  30           H        GLN  30  -7.031   0.452  -0.113
  259    HA   GLN  30           HA       GLN  30  -9.565   1.109   1.006
  260    HB2  GLN  30           2HB      GLN  30  -9.253  -0.798  -0.512
  261    HB3  GLN  30           3HB      GLN  30  -8.229  -1.583   0.682
  262    HG2  GLN  30           2HG      GLN  30 -10.406  -2.564   0.742
  263    HG3  GLN  30           3HG      GLN  30 -10.144  -1.660   2.230
  264   HE21  GLN  30          1HE2      GLN  30 -11.908  -1.835  -0.752
  265   HE22  GLN  30          2HE2      GLN  30 -13.083  -0.626  -0.368
  266    H    LEU  31           H        LEU  31  -6.654  -0.456   2.233
  267    HA   LEU  31           HA       LEU  31  -7.521  -1.063   4.816
  268    HB2  LEU  31           2HB      LEU  31  -4.746  -0.275   3.918
  269    HB3  LEU  31           3HB      LEU  31  -5.140  -1.123   5.402
  270    HG   LEU  31           HG       LEU  31  -5.667  -2.228   2.644
  271   HD11  LEU  31          1HD1      LEU  31  -3.289  -1.967   2.937
  272   HD12  LEU  31          2HD1      LEU  31  -3.719  -3.672   3.074
  273   HD13  LEU  31          3HD1      LEU  31  -3.367  -2.732   4.524
  274   HD21  LEU  31          3HD2      LEU  31  -5.702  -3.509   5.374
  275   HD22  LEU  31          1HD2      LEU  31  -5.927  -4.348   3.840
  276   HD23  LEU  31          2HD2      LEU  31  -7.107  -3.150   4.371
  277    H    ALA  32           H        ALA  32  -6.005   1.865   3.524
  278    HA   ALA  32           HA       ALA  32  -5.819   3.217   6.002
  279    HB1  ALA  32           3HB      ALA  32  -5.955   4.407   3.238
  280    HB2  ALA  32           1HB      ALA  32  -4.493   3.825   4.034
  281    HB3  ALA  32           2HB      ALA  32  -5.367   5.203   4.699
  282    H    ARG  33           H        ARG  33  -8.299   3.259   3.445
  283    HA   ARG  33           HA       ARG  33  -9.945   5.162   4.755
  284    HB2  ARG  33           2HB      ARG  33 -10.550   3.089   2.654
  285    HB3  ARG  33           3HB      ARG  33 -11.768   4.196   3.274
  286    HG2  ARG  33           2HG      ARG  33 -10.335   6.091   2.553
  287    HG3  ARG  33           3HG      ARG  33  -9.241   4.921   1.808
  288    HD2  ARG  33           2HD      ARG  33 -12.166   5.218   1.136
  289    HD3  ARG  33           3HD      ARG  33 -10.847   5.933   0.212
  290    HE   ARG  33           HE       ARG  33 -10.080   3.594  -0.176
  291   HH11  ARG  33          1HH1      ARG  33 -13.435   4.203   0.658
  292   HH12  ARG  33          2HH1      ARG  33 -14.025   2.817  -0.205
  293   HH21  ARG  33          1HH2      ARG  33 -10.857   1.781  -1.323
  294   HH22  ARG  33          2HH2      ARG  33 -12.569   1.445  -1.352
  295    H    GLN  34           H        GLN  34  -9.512   1.737   5.100
  296    HA   GLN  34           HA       GLN  34 -11.796   1.268   6.740
  297    HB2  GLN  34           2HB      GLN  34 -10.359  -0.462   5.518
  298    HB3  GLN  34           3HB      GLN  34  -9.196  -0.263   6.819
  299    HG2  GLN  34           2HG      GLN  34 -10.934  -0.948   8.428
  300    HG3  GLN  34           3HG      GLN  34 -12.032  -1.232   7.079
  301   HE21  GLN  34          1HE2      GLN  34  -8.601  -1.912   7.029
  302   HE22  GLN  34          2HE2      GLN  34  -8.741  -3.639   6.951
  303    H    ALA  35           H        ALA  35  -8.489   2.283   7.272
  304    HA   ALA  35           HA       ALA  35  -8.725   2.319  10.144
  305    HB1  ALA  35           3HB      ALA  35  -6.572   3.472   8.375
  306    HB2  ALA  35           1HB      ALA  35  -6.579   1.843   9.050
  307    HB3  ALA  35           2HB      ALA  35  -6.479   3.240  10.121
  308    H    GLU  36           H        GLU  36  -9.853   4.279   7.719
  309    HA   GLU  36           HA       GLU  36 -11.053   6.214   7.787
  310    HB2  GLU  36           2HB      GLU  36 -10.429   6.197  10.747
  311    HB3  GLU  36           3HB      GLU  36 -11.603   7.243   9.959
  312    HG2  GLU  36           2HG      GLU  36 -12.979   5.373   9.385
  313    HG3  GLU  36           3HG      GLU  36 -11.752   4.239   9.948
  314    H    GLN  37           H        GLN  37  -8.127   6.081   7.412
  315    HA   GLN  37           HA       GLN  37  -7.491   8.886   8.055
  316    HB2  GLN  37           2HB      GLN  37  -5.115   8.225   8.140
  317    HB3  GLN  37           3HB      GLN  37  -6.077   7.396   9.358
  318    HG2  GLN  37           2HG      GLN  37  -6.187   5.428   7.852
  319    HG3  GLN  37           3HG      GLN  37  -5.085   6.260   6.756
  320   HE21  GLN  37          1HE2      GLN  37  -3.508   4.690   6.977
  321   HE22  GLN  37          2HE2      GLN  37  -2.563   4.508   8.416
  322    H    ASP  38           H        ASP  38  -5.976   9.908   6.503
  323    HA   ASP  38           HA       ASP  38  -6.586   8.985   3.768
  324    HB2  ASP  38           2HB      ASP  38  -7.434  11.223   4.386
  325    HB3  ASP  38           3HB      ASP  38  -5.793  11.744   4.736
  326    H    ILE  39           H        ILE  39  -4.113   9.306   6.032
  327    HA   ILE  39           HA       ILE  39  -2.003   9.431   4.003
  328    HB   ILE  39           HB       ILE  39  -1.767   9.466   7.019
  329   HG12  ILE  39          2HG1      ILE  39  -1.537  11.768   5.071
  330   HG13  ILE  39          3HG1      ILE  39  -2.973  11.430   6.036
  331   HG21  ILE  39          1HG2      ILE  39   0.242   8.649   5.909
  332   HG22  ILE  39          2HG2      ILE  39   0.516  10.248   6.602
  333   HG23  ILE  39          3HG2      ILE  39   0.256  10.071   4.866
  334   HD11  ILE  39          3HD1      ILE  39  -1.603  13.190   7.021
  335   HD12  ILE  39          1HD1      ILE  39  -0.244  12.069   7.131
  336   HD13  ILE  39          2HD1      ILE  39  -1.710  11.779   8.073
  337    H    VAL  40           H        VAL  40  -1.091   7.602   3.297
  338    HA   VAL  40           HA       VAL  40  -1.499   5.165   4.868
  339    HB   VAL  40           HB       VAL  40  -0.917   3.879   2.933
  340   HG11  VAL  40          1HG1      VAL  40  -2.641   4.592   1.337
  341   HG12  VAL  40          2HG1      VAL  40  -2.748   6.143   2.169
  342   HG13  VAL  40          3HG1      VAL  40  -3.200   4.660   3.008
  343   HG21  VAL  40          3HG2      VAL  40  -0.282   4.890   0.795
  344   HG22  VAL  40          1HG2      VAL  40   0.899   5.234   2.058
  345   HG23  VAL  40          2HG2      VAL  40  -0.253   6.476   1.563
  346    H    THR  41           H        THR  41   0.115   4.079   5.810
  347    HA   THR  41           HA       THR  41   2.785   5.266   5.674
  348    HB   THR  41           HB       THR  41   3.188   3.901   7.760
  349    HG1  THR  41           HG1      THR  41   1.475   2.873   8.713
  350   HG21  THR  41          3HG2      THR  41   1.886   5.395   9.215
  351   HG22  THR  41          1HG2      THR  41   0.897   5.873   7.835
  352   HG23  THR  41          2HG2      THR  41   2.613   6.278   7.872
  353    HA   PRO  42           HA       PRO  42   4.646   1.935   3.505
  354    HB2  PRO  42           2HB      PRO  42   6.805   1.310   5.141
  355    HB3  PRO  42           3HB      PRO  42   6.773   2.597   3.932
  356    HG2  PRO  42           2HG      PRO  42   6.354   2.754   6.882
  357    HG3  PRO  42           3HG      PRO  42   7.208   3.875   5.804
  358    HD2  PRO  42           2HD      PRO  42   4.745   4.419   6.716
  359    HD3  PRO  42           3HD      PRO  42   5.240   4.861   5.071
  360    H    GLU  43           H        GLU  43   4.041   1.408   6.949
  361    HA   GLU  43           HA       GLU  43   4.344  -1.378   6.998
  362    HB2  GLU  43           2HB      GLU  43   2.578   0.441   8.635
  363    HB3  GLU  43           3HB      GLU  43   2.658  -1.292   8.908
  364    HG2  GLU  43           2HG      GLU  43   4.125  -0.428  10.470
  365    HG3  GLU  43           3HG      GLU  43   5.184  -0.937   9.158
  366    H    LEU  44           H        LEU  44   1.518   0.619   6.227
  367    HA   LEU  44           HA       LEU  44  -0.248  -1.563   5.837
  368    HB2  LEU  44           2HB      LEU  44  -0.295   1.343   5.222
  369    HB3  LEU  44           3HB      LEU  44  -1.394   0.317   4.323
  370    HG   LEU  44           HG       LEU  44  -2.425  -0.453   6.393
  371   HD11  LEU  44          1HD1      LEU  44  -0.500  -0.361   7.868
  372   HD12  LEU  44          2HD1      LEU  44  -1.842   0.570   8.540
  373   HD13  LEU  44          3HD1      LEU  44  -0.489   1.401   7.772
  374   HD21  LEU  44          3HD2      LEU  44  -3.302   1.547   5.299
  375   HD22  LEU  44          1HD2      LEU  44  -2.213   2.552   6.255
  376   HD23  LEU  44          2HD2      LEU  44  -3.494   1.637   7.050
  377    H    VAL  45           H        VAL  45   1.906   0.229   3.711
  378    HA   VAL  45           HA       VAL  45   1.113  -0.994   1.289
  379    HB   VAL  45           HB       VAL  45   3.854   0.064   2.010
  380   HG11  VAL  45          1HG1      VAL  45   2.536  -0.357  -0.671
  381   HG12  VAL  45          2HG1      VAL  45   3.855  -1.315   0.000
  382   HG13  VAL  45          3HG1      VAL  45   4.115   0.381  -0.405
  383   HG21  VAL  45          3HG2      VAL  45   3.114   2.166   1.006
  384   HG22  VAL  45          1HG2      VAL  45   2.116   1.737   2.395
  385   HG23  VAL  45          2HG2      VAL  45   1.504   1.489   0.758
  386    H    GLU  46           H        GLU  46   3.640  -1.772   3.640
  387    HA   GLU  46           HA       GLU  46   4.651  -4.064   2.369
  388    HB2  GLU  46           2HB      GLU  46   5.720  -2.818   4.273
  389    HB3  GLU  46           3HB      GLU  46   4.527  -3.536   5.344
  390    HG2  GLU  46           2HG      GLU  46   5.957  -5.200   5.647
  391    HG3  GLU  46           3HG      GLU  46   5.606  -5.696   3.991
  392    H    GLN  47           H        GLN  47   2.104  -3.615   4.773
  393    HA   GLN  47           HA       GLN  47   1.467  -6.249   5.332
  394    HB2  GLN  47           2HB      GLN  47   0.574  -4.152   6.438
  395    HB3  GLN  47           3HB      GLN  47  -0.533  -3.998   5.084
  396    HG2  GLN  47           2HG      GLN  47  -0.443  -6.471   6.774
  397    HG3  GLN  47           3HG      GLN  47  -1.395  -5.061   7.232
  398   HE21  GLN  47          1HE2      GLN  47  -2.161  -7.813   6.483
  399   HE22  GLN  47          2HE2      GLN  47  -3.291  -7.641   5.186
  400    H    ALA  48           H        ALA  48   0.112  -4.144   2.797
  401    HA   ALA  48           HA       ALA  48  -1.575  -6.063   1.647
  402    HB1  ALA  48           3HB      ALA  48  -1.742  -3.664   1.174
  403    HB2  ALA  48           1HB      ALA  48  -1.629  -4.613  -0.307
  404    HB3  ALA  48           2HB      ALA  48  -0.220  -3.735   0.287
  405    H    ARG  49           H        ARG  49   1.843  -5.367   1.181
  406    HA   ARG  49           HA       ARG  49   2.170  -7.004  -1.127
  407    HB2  ARG  49           2HB      ARG  49   3.763  -5.237  -0.647
  408    HB3  ARG  49           3HB      ARG  49   4.175  -5.978   0.892
  409    HG2  ARG  49           2HG      ARG  49   5.878  -6.351  -0.834
  410    HG3  ARG  49           3HG      ARG  49   5.184  -7.856  -0.233
  411    HD2  ARG  49           2HD      ARG  49   3.734  -7.973  -2.195
  412    HD3  ARG  49           3HD      ARG  49   4.408  -6.456  -2.788
  413    HE   ARG  49           HE       ARG  49   6.498  -7.581  -3.143
  414   HH11  ARG  49          1HH1      ARG  49   3.846  -9.707  -2.291
  415   HH12  ARG  49          2HH1      ARG  49   4.552 -11.103  -3.052
  416   HH21  ARG  49          1HH2      ARG  49   7.431  -9.403  -4.135
  417   HH22  ARG  49          2HH2      ARG  49   6.590 -10.930  -4.096
  418    H    LEU  50           H        LEU  50   2.451  -7.502   2.343
  419    HA   LEU  50           HA       LEU  50   3.463 -10.143   2.221
  420    HB2  LEU  50           2HB      LEU  50   2.445  -8.348   4.272
  421    HB3  LEU  50           3HB      LEU  50   1.976 -10.015   4.556
  422    HG   LEU  50           HG       LEU  50   4.065  -9.465   5.712
  423   HD11  LEU  50          1HD1      LEU  50   5.415 -11.329   4.824
  424   HD12  LEU  50          2HD1      LEU  50   4.366 -11.379   3.403
  425   HD13  LEU  50          3HD1      LEU  50   3.711 -11.747   5.000
  426   HD21  LEU  50          3HD2      LEU  50   4.880  -7.748   4.162
  427   HD22  LEU  50          1HD2      LEU  50   5.167  -8.988   2.941
  428   HD23  LEU  50          2HD2      LEU  50   6.100  -8.994   4.443
  429    H    GLU  51           H        GLU  51   0.202  -8.812   2.153
  430    HA   GLU  51           HA       GLU  51  -1.256 -11.182   2.205
  431    HB2  GLU  51           2HB      GLU  51  -1.667  -8.597   0.717
  432    HB3  GLU  51           3HB      GLU  51  -2.803  -9.931   0.565
  433    HG2  GLU  51           2HG      GLU  51  -2.041  -8.622   3.165
  434    HG3  GLU  51           3HG      GLU  51  -3.482  -8.238   2.223
  435    H    PHE  52           H        PHE  52   0.346  -9.572  -0.509
  436    HA   PHE  52           HA       PHE  52  -0.358 -11.686  -2.345
  437    HB2  PHE  52           2HB      PHE  52   1.522  -9.347  -2.671
  438    HB3  PHE  52           3HB      PHE  52   1.013 -10.424  -3.966
  439    HD1  PHE  52           HD1      PHE  52  -1.709 -10.693  -3.969
  440    HD2  PHE  52           HD2      PHE  52   0.513  -7.311  -2.651
  441    HE1  PHE  52           HE1      PHE  52  -3.660  -9.254  -4.385
  442    HE2  PHE  52           HE2      PHE  52  -1.439  -5.868  -3.064
  443    HZ   PHE  52           HZ       PHE  52  -3.525  -6.840  -3.932
  444    H    GLY  53           H        GLY  53   1.897 -11.423   0.050
  445    HA2  GLY  53           2HA      GLY  53   3.900 -13.067  -1.312
  446    HA3  GLY  53           3HA      GLY  53   4.051 -12.358   0.292
  447    H    GLN  54           H        GLN  54   1.260 -13.349   0.903
  448    HA   GLN  54           HA       GLN  54   2.131 -16.029   1.714
  449    HB2  GLN  54           2HB      GLN  54  -0.037 -14.244   2.824
  450    HB3  GLN  54           3HB      GLN  54   0.337 -15.852   3.427
  451    HG2  GLN  54           2HG      GLN  54   2.298 -13.570   3.385
  452    HG3  GLN  54           3HG      GLN  54   1.281 -13.972   4.767
  453   HE21  GLN  54          1HE2      GLN  54   3.038 -14.387   6.090
  454   HE22  GLN  54          2HE2      GLN  54   4.011 -15.811   5.906
  455    H    LEU  55           H        LEU  55  -0.481 -14.340   0.059
  456    HA   LEU  55           HA       LEU  55  -2.236 -16.604  -0.022
  457    HB2  LEU  55           2HB      LEU  55  -2.255 -14.073  -1.671
  458    HB3  LEU  55           3HB      LEU  55  -3.555 -15.244  -1.599
  459    HG   LEU  55           HG       LEU  55  -2.591 -13.705   0.805
  460   HD11  LEU  55          1HD1      LEU  55  -3.413 -12.143  -0.872
  461   HD12  LEU  55          2HD1      LEU  55  -4.540 -12.265   0.481
  462   HD13  LEU  55          3HD1      LEU  55  -4.895 -13.087  -1.038
  463   HD21  LEU  55          3HD2      LEU  55  -3.765 -15.778   1.303
  464   HD22  LEU  55          1HD2      LEU  55  -5.105 -15.281   0.267
  465   HD23  LEU  55          2HD2      LEU  55  -4.748 -14.379   1.740
  466    H    GLU  56           H        GLU  56  -1.390 -14.874  -2.934
  467    HA   GLU  56           HA       GLU  56  -0.667 -17.423  -4.210
  468    HB2  GLU  56           2HB      GLU  56  -2.524 -15.442  -4.956
  469    HB3  GLU  56           3HB      GLU  56  -1.166 -15.244  -6.053
  470    HG2  GLU  56           2HG      GLU  56  -2.552 -17.871  -5.574
  471    HG3  GLU  56           3HG      GLU  56  -2.980 -16.750  -6.865
  472    H    HIS  57           H        HIS  57   0.845 -16.909  -6.216
  473    HA   HIS  57           HA       HIS  57   2.947 -16.342  -6.902
  474    HB2  HIS  57           2HB      HIS  57   2.494 -13.846  -5.238
  475    HB3  HIS  57           3HB      HIS  57   3.788 -14.070  -6.408
  476    HD1  HIS  57           HD1      HIS  57   0.311 -12.982  -6.090
  477    HD2  HIS  57           HD2      HIS  57   2.841 -14.222  -9.142
  478    HE1  HIS  57           HE1      HIS  57  -0.794 -12.243  -8.220
  479    HE2  HIS  57           HE2      HIS  57   0.636 -13.223 -10.045
  480    H    HIS  58           H        HIS  58   2.962 -18.178  -5.102
  481    HA   HIS  58           HA       HIS  58   3.900 -17.743  -2.534
  482    HB2  HIS  58           2HB      HIS  58   4.179 -20.113  -4.374
  483    HB3  HIS  58           3HB      HIS  58   4.727 -20.143  -2.702
  484    HD1  HIS  58           HD1      HIS  58   1.672 -20.352  -4.794
  485    HD2  HIS  58           HD2      HIS  58   2.651 -19.971  -0.771
  486    HE1  HIS  58           HE1      HIS  58  -0.443 -20.863  -3.526
  487    HE2  HIS  58           HE2      HIS  58   0.129 -20.411  -1.110
  488    H    HIS  59           H        HIS  59   5.698 -17.012  -1.761
  489    HA   HIS  59           HA       HIS  59   7.915 -16.342  -3.385
  490    HB2  HIS  59           2HB      HIS  59   8.956 -15.547  -1.334
  491    HB3  HIS  59           3HB      HIS  59   7.267 -15.058  -1.370
  492    HD1  HIS  59           HD1      HIS  59   9.732 -16.778   0.686
  493    HD2  HIS  59           HD2      HIS  59   5.581 -16.693   0.391
  494    HE1  HIS  59           HE1      HIS  59   8.875 -17.789   2.828
  495    HE2  HIS  59           HE2      HIS  59   6.358 -17.695   2.650
  496    H    HIS  60           H        HIS  60   9.912 -17.259  -3.593
  497    HA   HIS  60           HA       HIS  60  10.411 -19.766  -2.129
  498    HB2  HIS  60           2HB      HIS  60  10.938 -19.226  -5.059
  499    HB3  HIS  60           3HB      HIS  60  11.575 -20.614  -4.185
  500    HD1  HIS  60           HD1      HIS  60   8.815 -19.645  -6.247
  501    HD2  HIS  60           HD2      HIS  60   9.324 -22.226  -3.028
  502    HE1  HIS  60           HE1      HIS  60   6.839 -21.203  -6.305
  503    HE2  HIS  60           HE2      HIS  60   7.296 -22.892  -4.487
  504    H    HIS  61           H        HIS  61  12.478 -20.048  -1.392
  505    HA   HIS  61           HA       HIS  61  13.974 -17.631  -1.087
  506    HB2  HIS  61           2HB      HIS  61  14.579 -20.459  -0.206
  507    HB3  HIS  61           3HB      HIS  61  15.558 -19.060   0.218
  508    HD1  HIS  61           HD1      HIS  61  13.920 -20.979   2.194
  509    HD2  HIS  61           HD2      HIS  61  12.874 -17.141   0.973
  510    HE1  HIS  61           HE1      HIS  61  12.382 -20.090   3.975
  511    HE2  HIS  61           HE2      HIS  61  11.713 -17.789   3.194
  512    H    HIS  62           H        HIS  62  15.963 -17.110  -1.852
  513    HA   HIS  62           HA       HIS  62  17.240 -18.951  -3.725
  514    HB2  HIS  62           2HB      HIS  62  17.839 -16.867  -5.122
  515    HB3  HIS  62           3HB      HIS  62  16.220 -17.531  -5.278
  516    HD1  HIS  62           HD1      HIS  62  17.898 -14.801  -3.198
  517    HD2  HIS  62           HD2      HIS  62  14.339 -15.604  -5.193
  518    HE1  HIS  62           HE1      HIS  62  16.512 -12.716  -2.977
  519    HE2  HIS  62           HE2      HIS  62  14.449 -13.155  -4.351
  Start of MODEL   13
    1    H1   MET   1           1H       MET   1 -10.659   7.089  -5.886
    2    H2   MET   1           2H       MET   1 -11.607   8.462  -6.181
    3    H3   MET   1           3H       MET   1 -11.150   8.072  -4.595
    4    HA   MET   1           HA       MET   1  -9.311   8.859  -6.777
    5    HB2  MET   1           2HB      MET   1 -10.738  10.701  -5.897
    6    HB3  MET   1           3HB      MET   1 -10.144  10.360  -4.279
    7    HG2  MET   1           2HG      MET   1  -7.877  10.935  -4.990
    8    HG3  MET   1           3HG      MET   1  -8.475  11.275  -6.612
    9    HE1  MET   1           3HE      MET   1  -6.731  13.364  -4.985
   10    HE2  MET   1           1HE      MET   1  -7.621  14.851  -5.315
   11    HE3  MET   1           2HE      MET   1  -7.381  13.661  -6.597
   12    H    ASN   2           H        ASN   2  -7.110   9.111  -6.062
   13    HA   ASN   2           HA       ASN   2  -6.232   7.063  -4.303
   14    HB2  ASN   2           2HB      ASN   2  -4.797   9.345  -5.657
   15    HB3  ASN   2           3HB      ASN   2  -3.969   8.209  -4.598
   16   HD21  ASN   2          1HD2      ASN   2  -5.415   5.886  -5.348
   17   HD22  ASN   2          2HD2      ASN   2  -4.959   5.492  -6.977
   18    H    LEU   3           H        LEU   3  -4.937   7.332  -2.412
   19    HA   LEU   3           HA       LEU   3  -5.872   9.553  -0.739
   20    HB2  LEU   3           2HB      LEU   3  -4.530   6.946  -0.007
   21    HB3  LEU   3           3HB      LEU   3  -4.995   8.182   1.145
   22    HG   LEU   3           HG       LEU   3  -6.845   6.535  -0.577
   23   HD11  LEU   3          1HD1      LEU   3  -5.941   5.345   1.337
   24   HD12  LEU   3          2HD1      LEU   3  -7.654   5.693   1.569
   25   HD13  LEU   3          3HD1      LEU   3  -6.440   6.658   2.406
   26   HD21  LEU   3          3HD2      LEU   3  -7.501   8.756   1.357
   27   HD22  LEU   3          1HD2      LEU   3  -8.672   7.690   0.582
   28   HD23  LEU   3          2HD2      LEU   3  -7.709   8.800  -0.394
   29    H    ARG   4           H        ARG   4  -4.012   9.953   1.075
   30    HA   ARG   4           HA       ARG   4  -1.872  11.104  -0.513
   31    HB2  ARG   4           2HB      ARG   4  -2.633  11.450   2.392
   32    HB3  ARG   4           3HB      ARG   4  -1.288  12.277   1.610
   33    HG2  ARG   4           2HG      ARG   4  -2.856  13.293   0.020
   34    HG3  ARG   4           3HG      ARG   4  -4.190  12.493   0.846
   35    HD2  ARG   4           2HD      ARG   4  -3.797  13.751   2.838
   36    HD3  ARG   4           3HD      ARG   4  -2.301  14.419   2.180
   37    HE   ARG   4           HE       ARG   4  -4.833  14.964   0.800
   38   HH11  ARG   4          1HH1      ARG   4  -2.239  16.095   2.840
   39   HH12  ARG   4          2HH1      ARG   4  -2.435  17.765   2.408
   40   HH21  ARG   4          1HH2      ARG   4  -5.154  17.174   0.254
   41   HH22  ARG   4          2HH2      ARG   4  -4.124  18.389   0.965
   42    H    TRP   5           H        TRP   5   0.014  10.216  -0.747
   43    HA   TRP   5           HA       TRP   5   0.712   7.923   0.940
   44    HB2  TRP   5           2HB      TRP   5   1.542   8.701  -1.855
   45    HB3  TRP   5           3HB      TRP   5   2.318   7.400  -0.959
   46    HD1  TRP   5           HD1      TRP   5  -1.300   8.323  -2.050
   47    HE1  TRP   5           HE1      TRP   5  -2.523   6.138  -2.672
   48    HE3  TRP   5           HE3      TRP   5   2.432   5.006  -0.977
   49    HZ2  TRP   5           HZ2      TRP   5  -1.943   3.371  -2.710
   50    HZ3  TRP   5           HZ3      TRP   5   2.024   2.610  -1.341
   51    HH2  TRP   5           HH2      TRP   5  -0.121   1.813  -2.187
   52    H    THR   6           H        THR   6   2.386   7.997   2.261
   53    HA   THR   6           HA       THR   6   3.996  10.326   2.548
   54    HB   THR   6           HB       THR   6   5.325   8.886   4.130
   55    HG1  THR   6           HG1      THR   6   3.400   6.894   4.095
   56   HG21  THR   6          3HG2      THR   6   3.432  10.189   4.946
   57   HG22  THR   6          1HG2      THR   6   3.516   8.639   5.784
   58   HG23  THR   6          2HG2      THR   6   2.324   8.889   4.506
   59    H    SER   7           H        SER   7   6.355  10.395   2.262
   60    HA   SER   7           HA       SER   7   7.175   9.554  -0.280
   61    HB2  SER   7           2HB      SER   7   8.185  11.442   0.999
   62    HB3  SER   7           3HB      SER   7   8.956  10.268   2.065
   63    HG   SER   7           HG       SER   7  10.504  10.304   0.654
   64    H    GLU   8           H        GLU   8   7.415   8.054   2.856
   65    HA   GLU   8           HA       GLU   8   9.200   5.959   2.138
   66    HB2  GLU   8           2HB      GLU   8   7.126   6.065   4.344
   67    HB3  GLU   8           3HB      GLU   8   8.394   4.859   4.202
   68    HG2  GLU   8           2HG      GLU   8   9.050   6.449   5.847
   69    HG3  GLU   8           3HG      GLU   8  10.072   6.670   4.430
   70    H    ALA   9           H        ALA   9   5.674   6.245   2.319
   71    HA   ALA   9           HA       ALA   9   5.056   3.598   1.607
   72    HB1  ALA   9           3HB      ALA   9   2.824   4.459   1.071
   73    HB2  ALA   9           1HB      ALA   9   3.441   6.107   1.181
   74    HB3  ALA   9           2HB      ALA   9   3.414   5.076   2.614
   75    H    LYS  10           H        LYS  10   5.534   6.512  -0.351
   76    HA   LYS  10           HA       LYS  10   4.837   5.511  -2.852
   77    HB2  LYS  10           2HB      LYS  10   7.066   7.445  -2.172
   78    HB3  LYS  10           3HB      LYS  10   6.401   7.196  -3.779
   79    HG2  LYS  10           2HG      LYS  10   4.291   8.119  -3.123
   80    HG3  LYS  10           3HG      LYS  10   4.798   8.189  -1.430
   81    HD2  LYS  10           2HD      LYS  10   6.595   9.762  -2.078
   82    HD3  LYS  10           3HD      LYS  10   5.989   9.738  -3.732
   83    HE2  LYS  10           2HE      LYS  10   4.332  10.574  -1.363
   84    HE3  LYS  10           3HE      LYS  10   5.268  11.700  -2.341
   85    HZ1  LYS  10           3HZ      LYS  10   2.931  10.075  -3.165
   86    HZ2  LYS  10           1HZ      LYS  10   3.967  10.807  -4.294
   87    HZ3  LYS  10           2HZ      LYS  10   3.108  11.757  -3.188
   88    H    THR  11           H        THR  11   8.033   5.510  -1.277
   89    HA   THR  11           HA       THR  11   9.370   4.078  -3.296
   90    HB   THR  11           HB       THR  11  10.079   4.144  -0.354
   91    HG1  THR  11           HG1      THR  11  10.942   6.104  -0.704
   92   HG21  THR  11          3HG2      THR  11  11.338   2.518  -1.717
   93   HG22  THR  11          1HG2      THR  11  12.361   3.840  -1.146
   94   HG23  THR  11          2HG2      THR  11  11.798   3.818  -2.816
   95    H    LYS  12           H        LYS  12   7.692   3.022  -0.360
   96    HA   LYS  12           HA       LYS  12   8.356   0.290  -0.491
   97    HB2  LYS  12           2HB      LYS  12   6.072   1.797   0.738
   98    HB3  LYS  12           3HB      LYS  12   6.107   0.043   0.774
   99    HG2  LYS  12           2HG      LYS  12   8.293   1.801   1.857
  100    HG3  LYS  12           3HG      LYS  12   6.979   1.127   2.826
  101    HD2  LYS  12           2HD      LYS  12   7.706  -1.144   2.039
  102    HD3  LYS  12           3HD      LYS  12   9.119  -0.370   1.323
  103    HE2  LYS  12           2HE      LYS  12   9.830   0.419   3.498
  104    HE3  LYS  12           3HE      LYS  12   8.372  -0.240   4.242
  105    HZ1  LYS  12           3HZ      LYS  12  10.173  -1.737   4.614
  106    HZ2  LYS  12           1HZ      LYS  12  10.567  -1.776   2.963
  107    HZ3  LYS  12           2HZ      LYS  12   9.113  -2.461   3.507
  108    H    LEU  13           H        LEU  13   5.721   2.130  -1.953
  109    HA   LEU  13           HA       LEU  13   4.266  -0.033  -2.989
  110    HB2  LEU  13           2HB      LEU  13   3.410   2.266  -2.851
  111    HB3  LEU  13           3HB      LEU  13   4.555   2.767  -4.080
  112    HG   LEU  13           HG       LEU  13   3.418   1.306  -5.716
  113   HD11  LEU  13          1HD1      LEU  13   1.267   0.303  -5.161
  114   HD12  LEU  13          2HD1      LEU  13   1.448   0.826  -3.487
  115   HD13  LEU  13          3HD1      LEU  13   2.556  -0.369  -4.161
  116   HD21  LEU  13          3HD2      LEU  13   1.619   3.255  -4.280
  117   HD22  LEU  13          1HD2      LEU  13   1.360   2.634  -5.912
  118   HD23  LEU  13          2HD2      LEU  13   2.769   3.637  -5.564
  119    H    LYS  14           H        LYS  14   7.030   1.749  -4.228
  120    HA   LYS  14           HA       LYS  14   7.034   0.603  -6.826
  121    HB2  LYS  14           2HB      LYS  14   9.344   1.773  -5.272
  122    HB3  LYS  14           3HB      LYS  14   9.291   1.508  -7.010
  123    HG2  LYS  14           2HG      LYS  14   7.579   3.162  -7.269
  124    HG3  LYS  14           3HG      LYS  14   7.428   3.340  -5.518
  125    HD2  LYS  14           2HD      LYS  14   9.796   4.090  -5.454
  126    HD3  LYS  14           3HD      LYS  14   9.818   4.046  -7.217
  127    HE2  LYS  14           2HE      LYS  14   8.011   5.692  -7.279
  128    HE3  LYS  14           3HE      LYS  14   7.987   5.735  -5.518
  129    HZ1  LYS  14           3HZ      LYS  14   9.238   7.584  -6.385
  130    HZ2  LYS  14           1HZ      LYS  14  10.258   6.542  -7.254
  131    HZ3  LYS  14           2HZ      LYS  14  10.280   6.534  -5.557
  132    H    ASN  15           H        ASN  15   7.926  -0.641  -3.776
  133    HA   ASN  15           HA       ASN  15   9.864  -2.547  -4.709
  134    HB2  ASN  15           2HB      ASN  15   8.265  -2.426  -2.143
  135    HB3  ASN  15           3HB      ASN  15   9.524  -3.613  -2.470
  136   HD21  ASN  15          1HD2      ASN  15   9.348  -1.637  -0.378
  137   HD22  ASN  15          2HD2      ASN  15  10.761  -0.645  -0.524
  138    H    ILE  16           H        ILE  16   6.437  -2.378  -4.433
  139    HA   ILE  16           HA       ILE  16   5.905  -5.178  -4.612
  140    HB   ILE  16           HB       ILE  16   4.089  -2.862  -5.319
  141   HG12  ILE  16          2HG1      ILE  16   4.394  -4.312  -2.681
  142   HG13  ILE  16          3HG1      ILE  16   5.025  -2.704  -3.021
  143   HG21  ILE  16          1HG2      ILE  16   2.278  -4.449  -4.811
  144   HG22  ILE  16          2HG2      ILE  16   3.479  -5.720  -4.581
  145   HG23  ILE  16          3HG2      ILE  16   3.276  -4.979  -6.166
  146   HD11  ILE  16          3HD1      ILE  16   2.124  -3.503  -3.007
  147   HD12  ILE  16          1HD1      ILE  16   2.746  -1.892  -3.358
  148   HD13  ILE  16          2HD1      ILE  16   2.963  -2.593  -1.754
  149    HA   PRO  17           HA       PRO  17   6.971  -5.764  -8.880
  150    HB2  PRO  17           2HB      PRO  17   5.175  -7.841  -9.341
  151    HB3  PRO  17           3HB      PRO  17   6.815  -8.021  -8.716
  152    HG2  PRO  17           2HG      PRO  17   4.224  -7.942  -7.244
  153    HG3  PRO  17           3HG      PRO  17   5.662  -8.930  -6.935
  154    HD2  PRO  17           2HD      PRO  17   5.113  -6.791  -5.432
  155    HD3  PRO  17           3HD      PRO  17   6.784  -7.190  -5.882
  156    H    PHE  18           H        PHE  18   6.266  -4.969 -10.786
  157    HA   PHE  18           HA       PHE  18   4.055  -3.280 -10.883
  158    HB2  PHE  18           2HB      PHE  18   4.478  -3.034 -13.237
  159    HB3  PHE  18           3HB      PHE  18   6.024  -3.172 -12.411
  160    HD1  PHE  18           HD2      PHE  18   7.254  -5.368 -12.500
  161    HD2  PHE  18           HD1      PHE  18   3.864  -4.530 -14.932
  162    HE1  PHE  18           HE2      PHE  18   7.887  -7.202 -14.012
  163    HE2  PHE  18           HE1      PHE  18   4.490  -6.365 -16.445
  164    HZ   PHE  18           HZ       PHE  18   6.505  -7.701 -15.985
  165    H    PHE  19           H        PHE  19   4.259  -6.667 -11.460
  166    HA   PHE  19           HA       PHE  19   1.929  -7.070 -12.977
  167    HB2  PHE  19           2HB      PHE  19   3.575  -8.811 -12.774
  168    HB3  PHE  19           3HB      PHE  19   3.413  -8.833 -11.022
  169    HD1  PHE  19           HD2      PHE  19   1.372  -9.355 -14.096
  170    HD2  PHE  19           HD1      PHE  19   2.111 -10.458 -10.056
  171    HE1  PHE  19           HE2      PHE  19  -0.310 -11.137 -14.275
  172    HE2  PHE  19           HE1      PHE  19   0.429 -12.242 -10.230
  173    HZ   PHE  19           HZ       PHE  19  -0.783 -12.581 -12.343
  174    H    ALA  20           H        ALA  20   2.397  -6.358  -9.610
  175    HA   ALA  20           HA       ALA  20  -0.488  -6.722  -9.143
  176    HB1  ALA  20           3HB      ALA  20   1.720  -7.547  -7.255
  177    HB2  ALA  20           1HB      ALA  20   0.693  -8.635  -8.193
  178    HB3  ALA  20           2HB      ALA  20  -0.014  -7.632  -6.926
  179    H    ARG  21           H        ARG  21   1.594  -4.423  -9.515
  180    HA   ARG  21           HA       ARG  21   1.823  -3.171  -6.976
  181    HB2  ARG  21           2HB      ARG  21   3.463  -2.822  -8.765
  182    HB3  ARG  21           3HB      ARG  21   2.241  -2.002  -9.727
  183    HG2  ARG  21           2HG      ARG  21   2.391  -0.093  -8.542
  184    HG3  ARG  21           3HG      ARG  21   2.691  -0.933  -7.021
  185    HD2  ARG  21           2HD      ARG  21   4.650   0.329  -7.682
  186    HD3  ARG  21           3HD      ARG  21   4.984  -1.399  -7.729
  187    HE   ARG  21           HE       ARG  21   4.318   0.077 -10.190
  188   HH11  ARG  21          1HH1      ARG  21   6.441  -2.017  -8.356
  189   HH12  ARG  21          2HH1      ARG  21   7.600  -2.182  -9.641
  190   HH21  ARG  21          1HH2      ARG  21   5.819  -0.182 -11.896
  191   HH22  ARG  21          2HH2      ARG  21   7.224  -1.181 -11.669
  192    H    SER  22           H        SER  22  -0.202  -2.431  -9.821
  193    HA   SER  22           HA       SER  22  -1.544  -0.276  -8.547
  194    HB2  SER  22           2HB      SER  22  -2.515  -1.961 -10.866
  195    HB3  SER  22           3HB      SER  22  -3.054  -0.335 -10.442
  196    HG   SER  22           HG       SER  22  -1.558   0.044 -11.949
  197    H    GLN  23           H        GLN  23  -2.063  -3.723  -8.699
  198    HA   GLN  23           HA       GLN  23  -4.692  -3.755  -7.624
  199    HB2  GLN  23           2HB      GLN  23  -3.714  -5.671  -8.828
  200    HB3  GLN  23           3HB      GLN  23  -2.536  -5.882  -7.537
  201    HG2  GLN  23           2HG      GLN  23  -4.277  -7.497  -7.273
  202    HG3  GLN  23           3HG      GLN  23  -4.392  -6.319  -5.969
  203   HE21  GLN  23          1HE2      GLN  23  -5.456  -5.818  -9.280
  204   HE22  GLN  23          2HE2      GLN  23  -7.145  -5.703  -8.906
  205    H    ALA  24           H        ALA  24  -1.463  -4.097  -6.205
  206    HA   ALA  24           HA       ALA  24  -2.312  -4.418  -3.539
  207    HB1  ALA  24           3HB      ALA  24  -0.058  -5.009  -4.297
  208    HB2  ALA  24           1HB      ALA  24  -0.020  -3.911  -2.919
  209    HB3  ALA  24           2HB      ALA  24   0.300  -3.300  -4.542
  210    H    LYS  25           H        LYS  25  -1.386  -1.553  -5.416
  211    HA   LYS  25           HA       LYS  25  -1.511   0.372  -3.428
  212    HB2  LYS  25           2HB      LYS  25  -0.747   0.801  -5.745
  213    HB3  LYS  25           3HB      LYS  25  -2.411   0.678  -6.305
  214    HG2  LYS  25           2HG      LYS  25  -3.028   2.617  -5.011
  215    HG3  LYS  25           3HG      LYS  25  -1.410   2.701  -4.318
  216    HD2  LYS  25           2HD      LYS  25  -0.509   3.065  -6.603
  217    HD3  LYS  25           3HD      LYS  25  -2.167   3.114  -7.208
  218    HE2  LYS  25           2HE      LYS  25  -2.647   5.024  -5.767
  219    HE3  LYS  25           3HE      LYS  25  -1.008   4.959  -5.119
  220    HZ1  LYS  25           3HZ      LYS  25  -1.157   6.654  -6.796
  221    HZ2  LYS  25           1HZ      LYS  25  -1.773   5.552  -7.928
  222    HZ3  LYS  25           2HZ      LYS  25  -0.178   5.398  -7.378
  223    H    ALA  26           H        ALA  26  -4.130  -0.956  -5.404
  224    HA   ALA  26           HA       ALA  26  -6.214   0.626  -4.424
  225    HB1  ALA  26           3HB      ALA  26  -6.405  -0.825  -6.394
  226    HB2  ALA  26           1HB      ALA  26  -7.709  -1.102  -5.240
  227    HB3  ALA  26           2HB      ALA  26  -6.366  -2.242  -5.345
  228    H    ARG  27           H        ARG  27  -4.899  -2.444  -3.211
  229    HA   ARG  27           HA       ARG  27  -6.806  -2.687  -1.112
  230    HB2  ARG  27           2HB      ARG  27  -5.604  -4.643  -1.917
  231    HB3  ARG  27           3HB      ARG  27  -4.074  -3.945  -1.402
  232    HG2  ARG  27           2HG      ARG  27  -4.721  -4.098   0.903
  233    HG3  ARG  27           3HG      ARG  27  -6.342  -4.628   0.456
  234    HD2  ARG  27           2HD      ARG  27  -3.813  -6.136  -0.175
  235    HD3  ARG  27           3HD      ARG  27  -4.852  -6.465   1.209
  236    HE   ARG  27           HE       ARG  27  -6.137  -6.538  -1.396
  237   HH11  ARG  27          1HH1      ARG  27  -4.694  -8.329   1.235
  238   HH12  ARG  27          2HH1      ARG  27  -5.357  -9.858   0.741
  239   HH21  ARG  27          1HH2      ARG  27  -7.052  -8.538  -2.042
  240   HH22  ARG  27          2HH2      ARG  27  -6.708  -9.967  -1.111
  241    H    ILE  28           H        ILE  28  -3.585  -1.249  -1.330
  242    HA   ILE  28           HA       ILE  28  -3.148  -0.811   1.405
  243    HB   ILE  28           HB       ILE  28  -2.208   0.871  -0.926
  244   HG12  ILE  28          2HG1      ILE  28  -0.743  -1.294   0.586
  245   HG13  ILE  28          3HG1      ILE  28  -1.604  -1.579  -0.923
  246   HG21  ILE  28          1HG2      ILE  28  -0.445   1.636   0.600
  247   HG22  ILE  28          2HG2      ILE  28  -1.191   0.722   1.913
  248   HG23  ILE  28          3HG2      ILE  28  -2.048   2.083   1.185
  249   HD11  ILE  28          3HD1      ILE  28  -0.138  -0.054  -2.082
  250   HD12  ILE  28          1HD1      ILE  28   0.801  -1.292  -1.251
  251   HD13  ILE  28          2HD1      ILE  28   0.691   0.333  -0.575
  252    H    GLU  29           H        GLU  29  -4.592   1.347  -1.036
  253    HA   GLU  29           HA       GLU  29  -5.209   3.396   0.823
  254    HB2  GLU  29           2HB      GLU  29  -6.503   2.851  -1.857
  255    HB3  GLU  29           3HB      GLU  29  -6.566   4.363  -0.957
  256    HG2  GLU  29           2HG      GLU  29  -4.063   4.449  -1.129
  257    HG3  GLU  29           3HG      GLU  29  -4.165   3.092  -2.246
  258    H    GLN  30           H        GLN  30  -6.860   0.513  -0.239
  259    HA   GLN  30           HA       GLN  30  -9.387   1.005   0.923
  260    HB2  GLN  30           2HB      GLN  30  -8.980  -0.809  -0.676
  261    HB3  GLN  30           3HB      GLN  30  -7.922  -1.606   0.477
  262    HG2  GLN  30           2HG      GLN  30  -9.856  -1.866   2.004
  263    HG3  GLN  30           3HG      GLN  30 -10.887  -1.172   0.751
  264   HE21  GLN  30          1HE2      GLN  30 -11.251  -2.340  -1.141
  265   HE22  GLN  30          2HE2      GLN  30 -10.977  -4.045  -1.240
  266    H    LEU  31           H        LEU  31  -6.466  -0.577   2.153
  267    HA   LEU  31           HA       LEU  31  -7.413  -1.230   4.710
  268    HB2  LEU  31           2HB      LEU  31  -4.611  -0.559   3.799
  269    HB3  LEU  31           3HB      LEU  31  -5.009  -1.289   5.344
  270    HG   LEU  31           HG       LEU  31  -5.663  -2.575   2.696
  271   HD11  LEU  31          1HD1      LEU  31  -3.248  -2.305   2.882
  272   HD12  LEU  31          2HD1      LEU  31  -3.716  -3.997   3.051
  273   HD13  LEU  31          3HD1      LEU  31  -3.279  -3.058   4.478
  274   HD21  LEU  31          3HD2      LEU  31  -7.002  -3.337   4.585
  275   HD22  LEU  31          1HD2      LEU  31  -5.533  -3.663   5.504
  276   HD23  LEU  31          2HD2      LEU  31  -5.886  -4.596   4.050
  277    H    ALA  32           H        ALA  32  -5.957   1.714   3.427
  278    HA   ALA  32           HA       ALA  32  -5.725   3.057   5.911
  279    HB1  ALA  32           3HB      ALA  32  -4.485   3.723   3.900
  280    HB2  ALA  32           1HB      ALA  32  -5.384   5.066   4.607
  281    HB3  ALA  32           2HB      ALA  32  -5.995   4.260   3.161
  282    H    ARG  33           H        ARG  33  -8.350   2.713   3.608
  283    HA   ARG  33           HA       ARG  33 -10.069   4.663   4.732
  284    HB2  ARG  33           2HB      ARG  33 -10.719   2.128   3.212
  285    HB3  ARG  33           3HB      ARG  33 -11.891   3.371   3.620
  286    HG2  ARG  33           2HG      ARG  33  -9.470   3.762   1.873
  287    HG3  ARG  33           3HG      ARG  33 -11.126   3.543   1.309
  288    HD2  ARG  33           2HD      ARG  33 -10.042   5.832   2.944
  289    HD3  ARG  33           3HD      ARG  33 -10.611   5.888   1.278
  290    HE   ARG  33           HE       ARG  33 -12.512   5.087   3.356
  291   HH11  ARG  33          1HH1      ARG  33 -11.415   7.510   1.073
  292   HH12  ARG  33          2HH1      ARG  33 -12.849   8.480   1.230
  293   HH21  ARG  33          1HH2      ARG  33 -14.379   6.338   3.545
  294   HH22  ARG  33          2HH2      ARG  33 -14.543   7.803   2.627
  295    H    GLN  34           H        GLN  34  -9.505   1.251   5.405
  296    HA   GLN  34           HA       GLN  34 -11.537   1.030   7.399
  297    HB2  GLN  34           2HB      GLN  34  -9.084  -0.678   6.928
  298    HB3  GLN  34           3HB      GLN  34 -10.428  -1.096   7.981
  299    HG2  GLN  34           2HG      GLN  34 -11.933  -1.094   6.057
  300    HG3  GLN  34           3HG      GLN  34 -10.577  -0.699   5.003
  301   HE21  GLN  34          1HE2      GLN  34  -8.741  -2.420   6.520
  302   HE22  GLN  34          2HE2      GLN  34  -9.138  -4.047   6.074
  303    H    ALA  35           H        ALA  35  -8.144   1.877   7.371
  304    HA   ALA  35           HA       ALA  35  -7.851   2.021  10.214
  305    HB1  ALA  35           3HB      ALA  35  -6.207   3.302   8.025
  306    HB2  ALA  35           1HB      ALA  35  -5.915   1.718   8.747
  307    HB3  ALA  35           2HB      ALA  35  -5.743   3.181   9.721
  308    H    GLU  36           H        GLU  36  -9.369   3.924   7.886
  309    HA   GLU  36           HA       GLU  36 -10.471   5.885   7.917
  310    HB2  GLU  36           2HB      GLU  36 -10.174   5.622  10.914
  311    HB3  GLU  36           3HB      GLU  36 -11.242   6.758  10.097
  312    HG2  GLU  36           2HG      GLU  36 -12.438   4.870   9.075
  313    HG3  GLU  36           3HG      GLU  36 -11.392   3.755   9.952
  314    H    GLN  37           H        GLN  37  -8.130   6.267   7.084
  315    HA   GLN  37           HA       GLN  37  -7.379   8.874   8.115
  316    HB2  GLN  37           2HB      GLN  37  -4.925   8.209   7.974
  317    HB3  GLN  37           3HB      GLN  37  -5.819   7.578   9.350
  318    HG2  GLN  37           2HG      GLN  37  -6.140   5.465   8.013
  319    HG3  GLN  37           3HG      GLN  37  -4.981   6.118   6.863
  320   HE21  GLN  37          1HE2      GLN  37  -2.839   6.181   7.389
  321   HE22  GLN  37          2HE2      GLN  37  -2.189   5.400   8.788
  322    H    ASP  38           H        ASP  38  -6.024  10.054   6.557
  323    HA   ASP  38           HA       ASP  38  -6.744   9.229   3.828
  324    HB2  ASP  38           2HB      ASP  38  -5.939  11.905   4.977
  325    HB3  ASP  38           3HB      ASP  38  -6.101  11.612   3.251
  326    H    ILE  39           H        ILE  39  -4.158   9.314   5.938
  327    HA   ILE  39           HA       ILE  39  -2.180   9.496   3.763
  328    HB   ILE  39           HB       ILE  39  -1.736   9.802   6.740
  329   HG12  ILE  39          2HG1      ILE  39  -1.780  11.944   4.601
  330   HG13  ILE  39          3HG1      ILE  39  -3.115  11.620   5.703
  331   HG21  ILE  39          1HG2      ILE  39   0.233   8.994   5.560
  332   HG22  ILE  39          2HG2      ILE  39   0.468  10.664   6.080
  333   HG23  ILE  39          3HG2      ILE  39   0.092  10.310   4.394
  334   HD11  ILE  39          3HD1      ILE  39  -1.779  13.525   6.417
  335   HD12  ILE  39          1HD1      ILE  39  -0.353  12.493   6.512
  336   HD13  ILE  39          2HD1      ILE  39  -1.719  12.214   7.593
  337    H    VAL  40           H        VAL  40  -1.186   7.662   3.177
  338    HA   VAL  40           HA       VAL  40  -1.568   5.302   4.854
  339    HB   VAL  40           HB       VAL  40  -0.843   3.975   2.967
  340   HG11  VAL  40          1HG1      VAL  40  -2.583   4.569   1.333
  341   HG12  VAL  40          2HG1      VAL  40  -2.794   6.119   2.147
  342   HG13  VAL  40          3HG1      VAL  40  -3.168   4.619   2.994
  343   HG21  VAL  40          3HG2      VAL  40  -0.256   4.988   0.815
  344   HG22  VAL  40          1HG2      VAL  40   0.897   5.414   2.082
  345   HG23  VAL  40          2HG2      VAL  40  -0.317   6.585   1.563
  346    H    THR  41           H        THR  41   0.020   4.236   5.855
  347    HA   THR  41           HA       THR  41   2.685   5.427   5.822
  348    HB   THR  41           HB       THR  41   2.945   3.757   7.821
  349    HG1  THR  41           HG1      THR  41   0.975   3.192   8.776
  350   HG21  THR  41          3HG2      THR  41   1.959   5.408   9.352
  351   HG22  THR  41          1HG2      THR  41   1.122   6.161   7.993
  352   HG23  THR  41          2HG2      THR  41   2.887   6.188   8.069
  353    HA   PRO  42           HA       PRO  42   4.646   2.205   3.537
  354    HB2  PRO  42           2HB      PRO  42   6.756   1.573   5.236
  355    HB3  PRO  42           3HB      PRO  42   6.756   2.869   4.036
  356    HG2  PRO  42           2HG      PRO  42   6.246   3.002   6.973
  357    HG3  PRO  42           3HG      PRO  42   7.111   4.146   5.929
  358    HD2  PRO  42           2HD      PRO  42   4.622   4.647   6.780
  359    HD3  PRO  42           3HD      PRO  42   5.144   5.104   5.144
  360    H    GLU  43           H        GLU  43   4.076   1.603   6.974
  361    HA   GLU  43           HA       GLU  43   4.408  -1.177   6.973
  362    HB2  GLU  43           2HB      GLU  43   2.512   0.466   8.661
  363    HB3  GLU  43           3HB      GLU  43   3.024  -1.178   9.005
  364    HG2  GLU  43           2HG      GLU  43   4.488  -0.113  10.344
  365    HG3  GLU  43           3HG      GLU  43   5.422  -0.031   8.852
  366    H    LEU  44           H        LEU  44   1.564   0.794   6.228
  367    HA   LEU  44           HA       LEU  44  -0.202  -1.418   5.878
  368    HB2  LEU  44           2HB      LEU  44  -0.299   1.492   5.260
  369    HB3  LEU  44           3HB      LEU  44  -1.422   0.445   4.420
  370    HG   LEU  44           HG       LEU  44  -2.309  -0.338   6.581
  371   HD11  LEU  44          1HD1      LEU  44  -1.707   0.820   8.644
  372   HD12  LEU  44          2HD1      LEU  44  -0.466   1.730   7.779
  373   HD13  LEU  44          3HD1      LEU  44  -0.319  -0.021   7.953
  374   HD21  LEU  44          3HD2      LEU  44  -3.404   1.508   5.460
  375   HD22  LEU  44          1HD2      LEU  44  -2.302   2.654   6.220
  376   HD23  LEU  44          2HD2      LEU  44  -3.449   1.748   7.206
  377    H    VAL  45           H        VAL  45   1.937   0.391   3.793
  378    HA   VAL  45           HA       VAL  45   1.101  -0.682   1.322
  379    HB   VAL  45           HB       VAL  45   3.870   0.255   2.098
  380   HG11  VAL  45          1HG1      VAL  45   4.151   0.681  -0.310
  381   HG12  VAL  45          2HG1      VAL  45   2.573  -0.051  -0.610
  382   HG13  VAL  45          3HG1      VAL  45   3.891  -1.029   0.039
  383   HG21  VAL  45          3HG2      VAL  45   3.204   2.410   1.165
  384   HG22  VAL  45          1HG2      VAL  45   2.183   1.959   2.529
  385   HG23  VAL  45          2HG2      VAL  45   1.578   1.788   0.883
  386    H    GLU  46           H        GLU  46   3.638  -1.664   3.602
  387    HA   GLU  46           HA       GLU  46   4.530  -3.901   2.134
  388    HB2  GLU  46           2HB      GLU  46   5.599  -2.704   4.185
  389    HB3  GLU  46           3HB      GLU  46   4.599  -3.793   5.137
  390    HG2  GLU  46           2HG      GLU  46   6.687  -4.830   4.987
  391    HG3  GLU  46           3HG      GLU  46   5.658  -5.685   3.839
  392    H    GLN  47           H        GLN  47   2.022  -3.489   4.600
  393    HA   GLN  47           HA       GLN  47   1.362  -6.124   5.125
  394    HB2  GLN  47           2HB      GLN  47   0.228  -3.597   5.634
  395    HB3  GLN  47           3HB      GLN  47  -1.042  -4.542   4.876
  396    HG2  GLN  47           2HG      GLN  47   0.532  -5.575   7.209
  397    HG3  GLN  47           3HG      GLN  47  -0.884  -4.553   7.418
  398   HE21  GLN  47          1HE2      GLN  47  -0.572  -7.016   4.901
  399   HE22  GLN  47          2HE2      GLN  47  -1.779  -8.075   5.541
  400    H    ALA  48           H        ALA  48  -0.025  -4.031   2.581
  401    HA   ALA  48           HA       ALA  48  -1.700  -5.984   1.457
  402    HB1  ALA  48           3HB      ALA  48  -0.410  -3.621   0.098
  403    HB2  ALA  48           1HB      ALA  48  -1.935  -3.601   0.981
  404    HB3  ALA  48           2HB      ALA  48  -1.792  -4.535  -0.509
  405    H    ARG  49           H        ARG  49   1.689  -5.259   0.973
  406    HA   ARG  49           HA       ARG  49   2.028  -6.851  -1.372
  407    HB2  ARG  49           2HB      ARG  49   3.505  -4.978  -0.762
  408    HB3  ARG  49           3HB      ARG  49   4.057  -5.886   0.640
  409    HG2  ARG  49           2HG      ARG  49   4.953  -7.613  -0.871
  410    HG3  ARG  49           3HG      ARG  49   4.464  -6.616  -2.250
  411    HD2  ARG  49           2HD      ARG  49   5.897  -4.834  -1.538
  412    HD3  ARG  49           3HD      ARG  49   6.290  -5.696  -0.054
  413    HE   ARG  49           HE       ARG  49   6.982  -6.967  -2.591
  414   HH11  ARG  49          1HH1      ARG  49   7.970  -5.316   0.332
  415   HH12  ARG  49          2HH1      ARG  49   9.663  -5.634   0.096
  416   HH21  ARG  49          1HH2      ARG  49   9.207  -7.380  -2.925
  417   HH22  ARG  49          2HH2      ARG  49  10.374  -6.812  -1.763
  418    H    LEU  50           H        LEU  50   2.403  -7.336   2.074
  419    HA   LEU  50           HA       LEU  50   3.507  -9.928   2.025
  420    HB2  LEU  50           2HB      LEU  50   3.039  -8.131   3.951
  421    HB3  LEU  50           3HB      LEU  50   1.614  -9.125   4.183
  422    HG   LEU  50           HG       LEU  50   3.428  -9.753   5.708
  423   HD11  LEU  50          1HD1      LEU  50   3.442 -12.157   5.272
  424   HD12  LEU  50          2HD1      LEU  50   2.844 -11.866   3.638
  425   HD13  LEU  50          3HD1      LEU  50   1.837 -11.467   5.028
  426   HD21  LEU  50          3HD2      LEU  50   5.318  -9.124   4.309
  427   HD22  LEU  50          1HD2      LEU  50   4.950 -10.443   3.196
  428   HD23  LEU  50          2HD2      LEU  50   5.466 -10.796   4.846
  429    H    GLU  51           H        GLU  51   0.190  -8.720   2.094
  430    HA   GLU  51           HA       GLU  51  -1.241 -11.059   2.357
  431    HB2  GLU  51           2HB      GLU  51  -1.888  -8.663   0.636
  432    HB3  GLU  51           3HB      GLU  51  -3.037  -9.914   1.082
  433    HG2  GLU  51           2HG      GLU  51  -1.593  -8.140   3.034
  434    HG3  GLU  51           3HG      GLU  51  -3.226  -7.862   2.435
  435    H    PHE  52           H        PHE  52  -0.368  -9.510  -0.744
  436    HA   PHE  52           HA       PHE  52  -1.271 -11.683  -2.312
  437    HB2  PHE  52           2HB      PHE  52   0.628  -9.429  -2.983
  438    HB3  PHE  52           3HB      PHE  52   0.013 -10.583  -4.163
  439    HD1  PHE  52           HD2      PHE  52  -2.580 -10.781  -4.301
  440    HD2  PHE  52           HD1      PHE  52  -0.521  -7.466  -2.608
  441    HE1  PHE  52           HE2      PHE  52  -4.578  -9.382  -4.619
  442    HE2  PHE  52           HE1      PHE  52  -2.518  -6.063  -2.920
  443    HZ   PHE  52           HZ       PHE  52  -4.549  -7.020  -3.925
  444    H    GLY  53           H        GLY  53   1.745 -11.008  -0.723
  445    HA2  GLY  53           2HA      GLY  53   3.312 -12.959  -2.091
  446    HA3  GLY  53           3HA      GLY  53   3.679 -12.243  -0.525
  447    H    GLN  54           H        GLN  54   0.870 -13.143   0.287
  448    HA   GLN  54           HA       GLN  54   1.544 -15.960   0.828
  449    HB2  GLN  54           2HB      GLN  54   0.079 -13.906   2.477
  450    HB3  GLN  54           3HB      GLN  54  -0.040 -15.628   2.812
  451    HG2  GLN  54           2HG      GLN  54   2.538 -14.084   2.746
  452    HG3  GLN  54           3HG      GLN  54   1.618 -14.437   4.208
  453   HE21  GLN  54          1HE2      GLN  54   1.480 -16.561   4.942
  454   HE22  GLN  54          2HE2      GLN  54   2.600 -17.780   4.426
  455    H    LEU  55           H        LEU  55  -0.315 -14.184  -1.118
  456    HA   LEU  55           HA       LEU  55  -2.664 -15.939  -0.880
  457    HB2  LEU  55           2HB      LEU  55  -3.029 -13.510  -0.558
  458    HB3  LEU  55           3HB      LEU  55  -2.429 -13.219  -2.172
  459    HG   LEU  55           HG       LEU  55  -4.970 -13.182  -1.757
  460   HD11  LEU  55          1HD1      LEU  55  -4.002 -13.057  -3.964
  461   HD12  LEU  55          2HD1      LEU  55  -5.422 -14.104  -3.985
  462   HD13  LEU  55          3HD1      LEU  55  -3.804 -14.810  -4.004
  463   HD21  LEU  55          3HD2      LEU  55  -6.095 -15.335  -1.969
  464   HD22  LEU  55          1HD2      LEU  55  -5.107 -15.279  -0.511
  465   HD23  LEU  55          2HD2      LEU  55  -4.541 -16.162  -1.928
  466    H    GLU  56           H        GLU  56  -0.264 -14.682  -3.126
  467    HA   GLU  56           HA       GLU  56   0.191 -15.047  -5.317
  468    HB2  GLU  56           2HB      GLU  56  -1.041 -17.766  -4.797
  469    HB3  GLU  56           3HB      GLU  56  -0.067 -17.342  -6.193
  470    HG2  GLU  56           2HG      GLU  56   1.517 -18.360  -4.946
  471    HG3  GLU  56           3HG      GLU  56   1.690 -16.723  -4.317
  472    H    HIS  57           H        HIS  57  -2.259 -17.324  -5.903
  473    HA   HIS  57           HA       HIS  57  -4.340 -15.404  -6.572
  474    HB2  HIS  57           2HB      HIS  57  -3.304 -17.369  -8.641
  475    HB3  HIS  57           3HB      HIS  57  -4.675 -16.292  -8.838
  476    HD1  HIS  57           HD1      HIS  57  -4.185 -13.863  -9.494
  477    HD2  HIS  57           HD2      HIS  57  -0.775 -16.172  -8.900
  478    HE1  HIS  57           HE1      HIS  57  -2.277 -12.509 -10.414
  479    HE2  HIS  57           HE2      HIS  57  -0.287 -14.049 -10.289
  480    H    HIS  58           H        HIS  58  -3.278 -18.751  -6.936
  481    HA   HIS  58           HA       HIS  58  -5.592 -19.678  -5.392
  482    HB2  HIS  58           2HB      HIS  58  -6.136 -19.926  -7.809
  483    HB3  HIS  58           3HB      HIS  58  -4.673 -20.874  -8.026
  484    HD1  HIS  58           HD1      HIS  58  -8.084 -21.041  -6.452
  485    HD2  HIS  58           HD2      HIS  58  -4.900 -23.552  -7.376
  486    HE1  HIS  58           HE1      HIS  58  -8.943 -23.381  -6.115
  487    HE2  HIS  58           HE2      HIS  58  -7.087 -24.868  -6.948
  488    H    HIS  59           H        HIS  59  -4.745 -20.761  -3.709
  489    HA   HIS  59           HA       HIS  59  -2.011 -21.475  -3.600
  490    HB2  HIS  59           2HB      HIS  59  -4.292 -22.355  -1.817
  491    HB3  HIS  59           3HB      HIS  59  -2.588 -22.627  -1.475
  492    HD1  HIS  59           HD1      HIS  59  -1.387 -19.883  -2.028
  493    HD2  HIS  59           HD2      HIS  59  -5.017 -20.441  -0.063
  494    HE1  HIS  59           HE1      HIS  59  -1.747 -17.814  -0.656
  495    HE2  HIS  59           HE2      HIS  59  -3.929 -18.173   0.547
  496    H    HIS  60           H        HIS  60  -1.036 -23.118  -4.526
  497    HA   HIS  60           HA       HIS  60  -2.444 -25.175  -5.868
  498    HB2  HIS  60           2HB      HIS  60  -0.161 -24.348  -6.492
  499    HB3  HIS  60           3HB      HIS  60   0.479 -25.188  -5.082
  500    HD1  HIS  60           HD1      HIS  60   0.843 -27.708  -5.275
  501    HD2  HIS  60           HD2      HIS  60  -1.086 -26.052  -8.572
  502    HE1  HIS  60           HE1      HIS  60   0.789 -29.521  -7.019
  503    HE2  HIS  60           HE2      HIS  60  -0.199 -28.428  -9.063
  504    H    HIS  61           H        HIS  61  -3.156 -27.076  -5.200
  505    HA   HIS  61           HA       HIS  61  -2.581 -27.846  -2.421
  506    HB2  HIS  61           2HB      HIS  61  -4.825 -28.697  -4.265
  507    HB3  HIS  61           3HB      HIS  61  -4.619 -29.241  -2.605
  508    HD1  HIS  61           HD1      HIS  61  -6.606 -27.028  -4.411
  509    HD2  HIS  61           HD2      HIS  61  -4.440 -26.662  -0.878
  510    HE1  HIS  61           HE1      HIS  61  -7.635 -25.086  -3.176
  511    HE2  HIS  61           HE2      HIS  61  -6.203 -24.785  -1.124
  512    H    HIS  62           H        HIS  62  -2.383 -30.167  -1.970
  513    HA   HIS  62           HA       HIS  62  -0.936 -31.486  -4.153
  514    HB2  HIS  62           2HB      HIS  62   0.124 -32.888  -2.387
  515    HB3  HIS  62           3HB      HIS  62   0.487 -31.176  -2.238
  516    HD1  HIS  62           HD1      HIS  62  -0.554 -29.914  -0.203
  517    HD2  HIS  62           HD2      HIS  62  -1.244 -34.020  -0.240
  518    HE1  HIS  62           HE1      HIS  62  -1.333 -30.497   2.118
  519    HE2  HIS  62           HE2      HIS  62  -1.909 -32.950   2.023
  Start of MODEL   14
    1    H1   MET   1           1H       MET   1  -8.429  12.453  -4.939
    2    H2   MET   1           2H       MET   1  -9.343  11.025  -4.897
    3    H3   MET   1           3H       MET   1  -9.704  12.223  -6.029
    4    HA   MET   1           HA       MET   1  -8.492  10.267  -6.929
    5    HB2  MET   1           2HB      MET   1  -7.191  12.995  -7.143
    6    HB3  MET   1           3HB      MET   1  -6.879  11.655  -8.233
    7    HG2  MET   1           2HG      MET   1  -8.413  13.155  -9.279
    8    HG3  MET   1           3HG      MET   1  -9.270  11.670  -8.871
    9    HE1  MET   1           3HE      MET   1 -11.635  12.883  -9.196
   10    HE2  MET   1           1HE      MET   1 -10.750  14.329  -9.678
   11    HE3  MET   1           2HE      MET   1 -12.024  14.437  -8.464
   12    H    ASN   2           H        ASN   2  -7.352   8.736  -5.894
   13    HA   ASN   2           HA       ASN   2  -5.719   7.666  -4.733
   14    HB2  ASN   2           2HB      ASN   2  -4.177  10.077  -5.663
   15    HB3  ASN   2           3HB      ASN   2  -3.439   8.899  -4.586
   16   HD21  ASN   2          1HD2      ASN   2  -2.837   9.659  -7.368
   17   HD22  ASN   2          2HD2      ASN   2  -2.883   8.173  -8.264
   18    H    LEU   3           H        LEU   3  -4.719   7.547  -2.661
   19    HA   LEU   3           HA       LEU   3  -5.657   9.603  -0.811
   20    HB2  LEU   3           2HB      LEU   3  -4.338   6.935  -0.332
   21    HB3  LEU   3           3HB      LEU   3  -4.818   8.036   0.943
   22    HG   LEU   3           HG       LEU   3  -6.616   6.552  -0.967
   23   HD11  LEU   3          1HD1      LEU   3  -5.831   5.235   0.902
   24   HD12  LEU   3          2HD1      LEU   3  -7.541   5.622   1.108
   25   HD13  LEU   3          3HD1      LEU   3  -6.319   6.499   2.029
   26   HD21  LEU   3          3HD2      LEU   3  -7.477   8.813  -0.686
   27   HD22  LEU   3          1HD2      LEU   3  -7.362   8.654   1.067
   28   HD23  LEU   3          2HD2      LEU   3  -8.492   7.644   0.161
   29    H    ARG   4           H        ARG   4  -3.913   9.935   1.085
   30    HA   ARG   4           HA       ARG   4  -1.659  11.134  -0.248
   31    HB2  ARG   4           2HB      ARG   4  -2.663  11.157   2.562
   32    HB3  ARG   4           3HB      ARG   4  -1.002  11.635   2.230
   33    HG2  ARG   4           2HG      ARG   4  -2.023  13.199   0.471
   34    HG3  ARG   4           3HG      ARG   4  -3.541  12.927   1.334
   35    HD2  ARG   4           2HD      ARG   4  -2.415  14.927   2.146
   36    HD3  ARG   4           3HD      ARG   4  -2.506  13.693   3.401
   37    HE   ARG   4           HE       ARG   4  -0.143  13.192   2.892
   38   HH11  ARG   4          1HH1      ARG   4  -1.451  16.256   1.821
   39   HH12  ARG   4          2HH1      ARG   4   0.079  17.084   1.904
   40   HH21  ARG   4          1HH2      ARG   4   1.868  14.255   2.983
   41   HH22  ARG   4          2HH2      ARG   4   1.972  15.945   2.579
   42    H    TRP   5           H        TRP   5  -0.037  10.006  -0.835
   43    HA   TRP   5           HA       TRP   5   0.770   7.669   0.719
   44    HB2  TRP   5           2HB      TRP   5   1.516   8.622  -2.050
   45    HB3  TRP   5           3HB      TRP   5   2.314   7.272  -1.255
   46    HD1  TRP   5           HD1      TRP   5  -1.278   8.270  -2.341
   47    HE1  TRP   5           HE1      TRP   5  -2.554   6.113  -2.939
   48    HE3  TRP   5           HE3      TRP   5   2.334   4.869  -1.147
   49    HZ2  TRP   5           HZ2      TRP   5  -2.057   3.329  -2.929
   50    HZ3  TRP   5           HZ3      TRP   5   1.858   2.474  -1.470
   51    HH2  TRP   5           HH2      TRP   5  -0.295   1.724  -2.341
   52    H    THR   6           H        THR   6   2.325   7.818   2.130
   53    HA   THR   6           HA       THR   6   3.922  10.144   2.433
   54    HB   THR   6           HB       THR   6   5.194   8.712   4.094
   55    HG1  THR   6           HG1      THR   6   3.138   6.812   3.931
   56   HG21  THR   6          3HG2      THR   6   3.298   8.559   5.685
   57   HG22  THR   6          1HG2      THR   6   2.193   8.891   4.351
   58   HG23  THR   6          2HG2      THR   6   3.371  10.109   4.843
   59    H    SER   7           H        SER   7   6.271  10.243   2.234
   60    HA   SER   7           HA       SER   7   7.185   9.400  -0.270
   61    HB2  SER   7           2HB      SER   7   9.487  10.001   0.750
   62    HB3  SER   7           3HB      SER   7   8.270  11.271   0.638
   63    HG   SER   7           HG       SER   7   9.480  10.895   2.732
   64    H    GLU   8           H        GLU   8   7.466   7.956   2.899
   65    HA   GLU   8           HA       GLU   8   9.274   5.882   2.178
   66    HB2  GLU   8           2HB      GLU   8   7.262   6.022   4.430
   67    HB3  GLU   8           3HB      GLU   8   8.600   4.883   4.321
   68    HG2  GLU   8           2HG      GLU   8  10.200   6.572   4.625
   69    HG3  GLU   8           3HG      GLU   8   9.025   7.850   4.316
   70    H    ALA   9           H        ALA   9   5.744   6.158   2.279
   71    HA   ALA   9           HA       ALA   9   5.170   3.445   1.724
   72    HB1  ALA   9           3HB      ALA   9   2.925   4.236   1.119
   73    HB2  ALA   9           1HB      ALA   9   3.508   5.900   1.167
   74    HB3  ALA   9           2HB      ALA   9   3.482   4.933   2.641
   75    H    LYS  10           H        LYS  10   5.475   6.293  -0.380
   76    HA   LYS  10           HA       LYS  10   4.957   5.109  -2.830
   77    HB2  LYS  10           2HB      LYS  10   7.049   7.212  -2.238
   78    HB3  LYS  10           3HB      LYS  10   6.384   6.851  -3.823
   79    HG2  LYS  10           2HG      LYS  10   4.183   7.586  -3.085
   80    HG3  LYS  10           3HG      LYS  10   4.829   7.914  -1.475
   81    HD2  LYS  10           2HD      LYS  10   6.409   9.537  -2.500
   82    HD3  LYS  10           3HD      LYS  10   5.614   9.277  -4.054
   83    HE2  LYS  10           2HE      LYS  10   3.514  10.082  -3.134
   84    HE3  LYS  10           3HE      LYS  10   4.264  10.278  -1.551
   85    HZ1  LYS  10           3HZ      LYS  10   4.822  11.816  -4.025
   86    HZ2  LYS  10           1HZ      LYS  10   5.832  11.869  -2.660
   87    HZ3  LYS  10           2HZ      LYS  10   4.222  12.391  -2.546
   88    H    THR  11           H        THR  11   8.004   5.256  -1.040
   89    HA   THR  11           HA       THR  11   9.606   3.950  -2.936
   90    HB   THR  11           HB       THR  11   9.948   3.950   0.071
   91    HG1  THR  11           HG1      THR  11  10.018   6.054  -0.338
   92   HG21  THR  11          3HG2      THR  11  12.333   3.734  -0.439
   93   HG22  THR  11          1HG2      THR  11  11.967   3.679  -2.162
   94   HG23  THR  11          2HG2      THR  11  11.426   2.376  -1.103
   95    H    LYS  12           H        LYS  12   7.659   2.717  -0.254
   96    HA   LYS  12           HA       LYS  12   8.428   0.003  -0.511
   97    HB2  LYS  12           2HB      LYS  12   6.038   1.350   0.738
   98    HB3  LYS  12           3HB      LYS  12   6.215  -0.398   0.722
   99    HG2  LYS  12           2HG      LYS  12   8.283   1.452   1.878
  100    HG3  LYS  12           3HG      LYS  12   6.964   0.751   2.819
  101    HD2  LYS  12           2HD      LYS  12   7.745  -1.491   2.259
  102    HD3  LYS  12           3HD      LYS  12   9.045  -0.801   1.283
  103    HE2  LYS  12           2HE      LYS  12  10.014   0.226   3.245
  104    HE3  LYS  12           3HE      LYS  12   8.676  -0.350   4.239
  105    HZ1  LYS  12           3HZ      LYS  12  10.817  -1.672   4.296
  106    HZ2  LYS  12           1HZ      LYS  12  10.416  -2.211   2.743
  107    HZ3  LYS  12           2HZ      LYS  12   9.387  -2.552   4.050
  108    H    LEU  13           H        LEU  13   5.812   1.912  -1.927
  109    HA   LEU  13           HA       LEU  13   4.432  -0.220  -3.150
  110    HB2  LEU  13           2HB      LEU  13   3.567   2.119  -2.826
  111    HB3  LEU  13           3HB      LEU  13   4.603   2.627  -4.147
  112    HG   LEU  13           HG       LEU  13   3.375   1.075  -5.655
  113   HD11  LEU  13          1HD1      LEU  13   1.522   0.748  -3.302
  114   HD12  LEU  13          2HD1      LEU  13   2.597  -0.492  -3.945
  115   HD13  LEU  13          3HD1      LEU  13   1.268   0.119  -4.929
  116   HD21  LEU  13          3HD2      LEU  13   2.769   3.431  -5.579
  117   HD22  LEU  13          1HD2      LEU  13   1.684   3.127  -4.224
  118   HD23  LEU  13          2HD2      LEU  13   1.328   2.438  -5.808
  119    H    LYS  14           H        LYS  14   7.235   1.632  -4.079
  120    HA   LYS  14           HA       LYS  14   7.300   0.720  -6.793
  121    HB2  LYS  14           2HB      LYS  14   9.412   2.039  -5.080
  122    HB3  LYS  14           3HB      LYS  14   9.587   1.717  -6.799
  123    HG2  LYS  14           2HG      LYS  14   7.832   3.230  -7.344
  124    HG3  LYS  14           3HG      LYS  14   7.386   3.409  -5.645
  125    HD2  LYS  14           2HD      LYS  14   9.583   4.424  -5.196
  126    HD3  LYS  14           3HD      LYS  14   9.979   4.286  -6.911
  127    HE2  LYS  14           2HE      LYS  14   8.220   5.800  -7.504
  128    HE3  LYS  14           3HE      LYS  14   7.611   5.820  -5.850
  129    HZ1  LYS  14           3HZ      LYS  14   8.903   7.801  -6.348
  130    HZ2  LYS  14           1HZ      LYS  14  10.257   6.856  -6.729
  131    HZ3  LYS  14           2HZ      LYS  14   9.664   6.881  -5.141
  132    H    ASN  15           H        ASN  15   7.974  -0.802  -3.891
  133    HA   ASN  15           HA       ASN  15  10.021  -2.561  -4.980
  134    HB2  ASN  15           2HB      ASN  15   8.630  -2.442  -2.304
  135    HB3  ASN  15           3HB      ASN  15   9.669  -3.789  -2.756
  136   HD21  ASN  15          1HD2      ASN  15  10.028  -1.923  -0.597
  137   HD22  ASN  15          2HD2      ASN  15  11.543  -1.137  -0.873
  138    H    ILE  16           H        ILE  16   6.681  -2.298  -4.984
  139    HA   ILE  16           HA       ILE  16   6.157  -5.152  -5.187
  140    HB   ILE  16           HB       ILE  16   4.253  -2.837  -5.610
  141   HG12  ILE  16          2HG1      ILE  16   4.781  -4.439  -3.093
  142   HG13  ILE  16          3HG1      ILE  16   5.274  -2.772  -3.363
  143   HG21  ILE  16          1HG2      ILE  16   3.758  -5.756  -5.028
  144   HG22  ILE  16          2HG2      ILE  16   3.450  -4.924  -6.552
  145   HG23  ILE  16          3HG2      ILE  16   2.514  -4.510  -5.117
  146   HD11  ILE  16          3HD1      ILE  16   3.292  -2.890  -1.977
  147   HD12  ILE  16          1HD1      ILE  16   2.440  -3.775  -3.242
  148   HD13  ILE  16          2HD1      ILE  16   2.935  -2.104  -3.514
  149    HA   PRO  17           HA       PRO  17   6.866  -5.350  -9.601
  150    HB2  PRO  17           2HB      PRO  17   4.637  -7.317  -9.477
  151    HB3  PRO  17           3HB      PRO  17   6.246  -7.485 -10.188
  152    HG2  PRO  17           2HG      PRO  17   5.641  -8.656  -7.872
  153    HG3  PRO  17           3HG      PRO  17   7.242  -7.950  -8.155
  154    HD2  PRO  17           2HD      PRO  17   4.972  -6.919  -6.524
  155    HD3  PRO  17           3HD      PRO  17   6.718  -6.776  -6.249
  156    H    PHE  18           H        PHE  18   6.061  -4.095 -11.169
  157    HA   PHE  18           HA       PHE  18   3.955  -2.372 -10.761
  158    HB2  PHE  18           2HB      PHE  18   4.159  -1.719 -13.087
  159    HB3  PHE  18           3HB      PHE  18   5.755  -2.008 -12.405
  160    HD1  PHE  18           HD2      PHE  18   6.969  -4.110 -13.000
  161    HD2  PHE  18           HD1      PHE  18   3.371  -2.930 -14.938
  162    HE1  PHE  18           HE2      PHE  18   7.477  -5.631 -14.863
  163    HE2  PHE  18           HE1      PHE  18   3.871  -4.449 -16.806
  164    HZ   PHE  18           HZ       PHE  18   5.927  -5.802 -16.768
  165    H    PHE  19           H        PHE  19   3.831  -5.555 -12.203
  166    HA   PHE  19           HA       PHE  19   1.320  -5.341 -13.455
  167    HB2  PHE  19           2HB      PHE  19   2.765  -7.160 -14.041
  168    HB3  PHE  19           3HB      PHE  19   2.828  -7.726 -12.376
  169    HD1  PHE  19           HD1      PHE  19   0.309  -7.054 -15.054
  170    HD2  PHE  19           HD2      PHE  19   1.517  -9.523 -11.802
  171    HE1  PHE  19           HE1      PHE  19  -1.588  -8.553 -15.488
  172    HE2  PHE  19           HE2      PHE  19  -0.383 -11.027 -12.238
  173    HZ   PHE  19           HZ       PHE  19  -1.936 -10.541 -14.083
  174    H    ALA  20           H        ALA  20   2.243  -6.072 -10.150
  175    HA   ALA  20           HA       ALA  20  -0.602  -6.428  -9.462
  176    HB1  ALA  20           3HB      ALA  20   0.721  -8.430  -9.045
  177    HB2  ALA  20           1HB      ALA  20   0.160  -7.727  -7.529
  178    HB3  ALA  20           2HB      ALA  20   1.832  -7.500  -8.042
  179    H    ARG  21           H        ARG  21   1.565  -4.102  -9.529
  180    HA   ARG  21           HA       ARG  21   1.817  -3.261  -6.839
  181    HB2  ARG  21           2HB      ARG  21   3.256  -2.566  -8.854
  182    HB3  ARG  21           3HB      ARG  21   1.976  -1.407  -9.204
  183    HG2  ARG  21           2HG      ARG  21   2.302  -0.724  -6.709
  184    HG3  ARG  21           3HG      ARG  21   3.876  -1.497  -6.914
  185    HD2  ARG  21           2HD      ARG  21   2.763   0.755  -8.575
  186    HD3  ARG  21           3HD      ARG  21   4.001   0.894  -7.332
  187    HE   ARG  21           HE       ARG  21   5.332  -0.651  -8.847
  188   HH11  ARG  21          1HH1      ARG  21   2.880   1.526 -10.045
  189   HH12  ARG  21          2HH1      ARG  21   3.700   1.842 -11.546
  190   HH21  ARG  21          1HH2      ARG  21   6.428  -0.256 -10.805
  191   HH22  ARG  21          2HH2      ARG  21   5.741   0.835 -11.979
  192    H    SER  22           H        SER  22  -0.334  -2.250  -9.478
  193    HA   SER  22           HA       SER  22  -1.677  -0.286  -7.930
  194    HB2  SER  22           2HB      SER  22  -2.610  -1.709 -10.436
  195    HB3  SER  22           3HB      SER  22  -3.265  -0.201  -9.788
  196    HG   SER  22           HG       SER  22  -1.094  -0.600 -11.358
  197    H    GLN  23           H        GLN  23  -2.171  -3.697  -8.535
  198    HA   GLN  23           HA       GLN  23  -4.716  -3.972  -7.364
  199    HB2  GLN  23           2HB      GLN  23  -3.662  -5.737  -8.705
  200    HB3  GLN  23           3HB      GLN  23  -2.421  -5.942  -7.479
  201    HG2  GLN  23           2HG      GLN  23  -4.086  -6.711  -5.892
  202    HG3  GLN  23           3HG      GLN  23  -5.358  -6.455  -7.085
  203   HE21  GLN  23          1HE2      GLN  23  -3.668  -7.415  -9.281
  204   HE22  GLN  23          2HE2      GLN  23  -3.626  -9.138  -9.117
  205    H    ALA  24           H        ALA  24  -1.463  -4.380  -5.981
  206    HA   ALA  24           HA       ALA  24  -2.284  -4.764  -3.323
  207    HB1  ALA  24           3HB      ALA  24  -0.021  -5.285  -4.115
  208    HB2  ALA  24           1HB      ALA  24   0.012  -4.210  -2.712
  209    HB3  ALA  24           2HB      ALA  24   0.294  -3.561  -4.328
  210    H    LYS  25           H        LYS  25  -1.426  -1.875  -5.142
  211    HA   LYS  25           HA       LYS  25  -1.572   0.028  -3.120
  212    HB2  LYS  25           2HB      LYS  25  -0.623   0.700  -5.142
  213    HB3  LYS  25           3HB      LYS  25  -1.972   0.102  -6.089
  214    HG2  LYS  25           2HG      LYS  25  -3.308   1.958  -5.561
  215    HG3  LYS  25           3HG      LYS  25  -2.253   2.434  -4.227
  216    HD2  LYS  25           2HD      LYS  25  -0.622   3.269  -5.638
  217    HD3  LYS  25           3HD      LYS  25  -1.167   2.301  -7.008
  218    HE2  LYS  25           2HE      LYS  25  -1.665   4.697  -7.263
  219    HE3  LYS  25           3HE      LYS  25  -3.104   3.690  -7.272
  220    HZ1  LYS  25           3HZ      LYS  25  -3.379   5.707  -5.949
  221    HZ2  LYS  25           1HZ      LYS  25  -2.117   5.218  -4.934
  222    HZ3  LYS  25           2HZ      LYS  25  -3.550   4.314  -4.999
  223    H    ALA  26           H        ALA  26  -4.159  -1.261  -5.179
  224    HA   ALA  26           HA       ALA  26  -6.230   0.380  -4.243
  225    HB1  ALA  26           3HB      ALA  26  -6.431  -1.053  -6.222
  226    HB2  ALA  26           1HB      ALA  26  -7.747  -1.336  -5.080
  227    HB3  ALA  26           2HB      ALA  26  -6.409  -2.482  -5.185
  228    H    ARG  27           H        ARG  27  -4.920  -2.659  -3.007
  229    HA   ARG  27           HA       ARG  27  -6.816  -2.889  -0.884
  230    HB2  ARG  27           2HB      ARG  27  -5.571  -4.820  -1.774
  231    HB3  ARG  27           3HB      ARG  27  -4.076  -4.142  -1.151
  232    HG2  ARG  27           2HG      ARG  27  -4.752  -4.476   1.090
  233    HG3  ARG  27           3HG      ARG  27  -6.416  -4.822   0.612
  234    HD2  ARG  27           2HD      ARG  27  -5.693  -6.858  -0.503
  235    HD3  ARG  27           3HD      ARG  27  -4.015  -6.504  -0.098
  236    HE   ARG  27           HE       ARG  27  -4.510  -6.972   2.182
  237   HH11  ARG  27          1HH1      ARG  27  -7.179  -7.651   0.020
  238   HH12  ARG  27          2HH1      ARG  27  -7.937  -8.781   1.099
  239   HH21  ARG  27          1HH2      ARG  27  -5.476  -8.478   3.589
  240   HH22  ARG  27          2HH2      ARG  27  -6.971  -9.246   3.127
  241    H    ILE  28           H        ILE  28  -3.543  -1.558  -1.147
  242    HA   ILE  28           HA       ILE  28  -3.074  -0.975   1.545
  243    HB   ILE  28           HB       ILE  28  -2.198   0.627  -0.870
  244   HG12  ILE  28          2HG1      ILE  28  -0.661  -1.477   0.659
  245   HG13  ILE  28          3HG1      ILE  28  -1.563  -1.817  -0.814
  246   HG21  ILE  28          1HG2      ILE  28  -0.382   1.433   0.585
  247   HG22  ILE  28          2HG2      ILE  28  -1.115   0.589   1.949
  248   HG23  ILE  28          3HG2      ILE  28  -1.971   1.923   1.173
  249   HD11  ILE  28          3HD1      ILE  28   0.811  -1.511  -1.257
  250   HD12  ILE  28          1HD1      ILE  28   0.733   0.111  -0.571
  251   HD13  ILE  28          2HD1      ILE  28  -0.157  -0.268  -2.046
  252    H    GLU  29           H        GLU  29  -4.484   1.112  -0.971
  253    HA   GLU  29           HA       GLU  29  -5.069   3.236   0.811
  254    HB2  GLU  29           2HB      GLU  29  -6.182   2.590  -1.925
  255    HB3  GLU  29           3HB      GLU  29  -6.450   4.107  -1.071
  256    HG2  GLU  29           2HG      GLU  29  -4.045   4.534  -1.070
  257    HG3  GLU  29           3HG      GLU  29  -3.771   3.012  -1.913
  258    H    GLN  30           H        GLN  30  -6.724   0.304  -0.025
  259    HA   GLN  30           HA       GLN  30  -9.279   1.090   0.990
  260    HB2  GLN  30           2HB      GLN  30  -8.341  -1.068  -0.445
  261    HB3  GLN  30           3HB      GLN  30  -8.663  -1.769   1.138
  262    HG2  GLN  30           2HG      GLN  30 -10.601  -1.990  -0.276
  263    HG3  GLN  30           3HG      GLN  30 -10.944  -0.882   1.053
  264   HE21  GLN  30          1HE2      GLN  30  -9.019  -0.035  -1.747
  265   HE22  GLN  30          2HE2      GLN  30 -10.146   1.098  -2.411
  266    H    LEU  31           H        LEU  31  -6.483  -0.634   2.290
  267    HA   LEU  31           HA       LEU  31  -7.475  -1.243   4.833
  268    HB2  LEU  31           2HB      LEU  31  -4.663  -0.557   3.958
  269    HB3  LEU  31           3HB      LEU  31  -5.073  -1.255   5.514
  270    HG   LEU  31           HG       LEU  31  -5.762  -2.636   2.930
  271   HD11  LEU  31          1HD1      LEU  31  -3.719  -3.929   3.163
  272   HD12  LEU  31          2HD1      LEU  31  -3.248  -2.968   4.564
  273   HD13  LEU  31          3HD1      LEU  31  -3.342  -2.219   2.971
  274   HD21  LEU  31          3HD2      LEU  31  -5.371  -3.618   5.756
  275   HD22  LEU  31          1HD2      LEU  31  -5.782  -4.617   4.363
  276   HD23  LEU  31          2HD2      LEU  31  -6.919  -3.399   4.942
  277    H    ALA  32           H        ALA  32  -5.812   1.642   3.629
  278    HA   ALA  32           HA       ALA  32  -5.718   3.075   6.039
  279    HB1  ALA  32           3HB      ALA  32  -5.914   4.135   3.221
  280    HB2  ALA  32           1HB      ALA  32  -4.429   3.717   4.078
  281    HB3  ALA  32           2HB      ALA  32  -5.422   5.062   4.641
  282    H    ARG  33           H        ARG  33  -8.240   2.766   3.601
  283    HA   ARG  33           HA       ARG  33  -9.971   4.725   4.683
  284    HB2  ARG  33           2HB      ARG  33 -10.587   2.309   2.977
  285    HB3  ARG  33           3HB      ARG  33 -11.745   3.572   3.370
  286    HG2  ARG  33           2HG      ARG  33 -10.163   5.206   2.304
  287    HG3  ARG  33           3HG      ARG  33  -9.245   3.817   1.720
  288    HD2  ARG  33           2HD      ARG  33 -10.776   4.572   0.006
  289    HD3  ARG  33           3HD      ARG  33 -11.272   2.984   0.596
  290    HE   ARG  33           HE       ARG  33 -12.534   5.481   1.525
  291   HH11  ARG  33          1HH1      ARG  33 -12.742   2.198   0.325
  292   HH12  ARG  33          2HH1      ARG  33 -14.461   2.099   0.530
  293   HH21  ARG  33          1HH2      ARG  33 -14.791   5.377   1.764
  294   HH22  ARG  33          2HH2      ARG  33 -15.637   3.919   1.307
  295    H    GLN  34           H        GLN  34  -9.479   1.315   5.369
  296    HA   GLN  34           HA       GLN  34 -11.743   1.018   7.068
  297    HB2  GLN  34           2HB      GLN  34  -9.136  -0.519   7.075
  298    HB3  GLN  34           3HB      GLN  34 -10.615  -1.007   7.892
  299    HG2  GLN  34           2HG      GLN  34 -11.743  -1.188   5.733
  300    HG3  GLN  34           3HG      GLN  34 -10.257  -0.708   4.917
  301   HE21  GLN  34          1HE2      GLN  34  -8.624  -2.220   6.865
  302   HE22  GLN  34          2HE2      GLN  34  -8.783  -3.878   6.402
  303    H    ALA  35           H        ALA  35  -8.578   2.348   7.450
  304    HA   ALA  35           HA       ALA  35  -8.852   2.584  10.340
  305    HB1  ALA  35           3HB      ALA  35  -6.648   2.085   9.407
  306    HB2  ALA  35           1HB      ALA  35  -6.640   3.633  10.248
  307    HB3  ALA  35           2HB      ALA  35  -6.688   3.587   8.486
  308    H    GLU  36           H        GLU  36  -9.849   4.208   7.608
  309    HA   GLU  36           HA       GLU  36 -10.864   6.176   7.203
  310    HB2  GLU  36           2HB      GLU  36 -11.095   6.064  10.189
  311    HB3  GLU  36           3HB      GLU  36 -11.656   7.473   9.297
  312    HG2  GLU  36           2HG      GLU  36 -12.555   4.667   8.715
  313    HG3  GLU  36           3HG      GLU  36 -13.404   5.760   9.805
  314    H    GLN  37           H        GLN  37  -8.159   6.171   7.031
  315    HA   GLN  37           HA       GLN  37  -7.642   8.996   7.618
  316    HB2  GLN  37           2HB      GLN  37  -5.277   8.498   8.052
  317    HB3  GLN  37           3HB      GLN  37  -6.325   7.696   9.212
  318    HG2  GLN  37           2HG      GLN  37  -6.116   5.619   7.852
  319    HG3  GLN  37           3HG      GLN  37  -4.915   6.454   6.867
  320   HE21  GLN  37          1HE2      GLN  37  -3.244   5.104   7.421
  321   HE22  GLN  37          2HE2      GLN  37  -2.543   5.064   9.001
  322    H    ASP  38           H        ASP  38  -6.340  10.063   6.065
  323    HA   ASP  38           HA       ASP  38  -6.763   8.931   3.408
  324    HB2  ASP  38           2HB      ASP  38  -7.420  11.302   4.051
  325    HB3  ASP  38           3HB      ASP  38  -5.703  11.675   4.111
  326    H    ILE  39           H        ILE  39  -4.305   9.435   5.696
  327    HA   ILE  39           HA       ILE  39  -2.136   9.391   3.756
  328    HB   ILE  39           HB       ILE  39  -2.052   9.512   6.776
  329   HG12  ILE  39          2HG1      ILE  39  -1.570  11.731   4.785
  330   HG13  ILE  39          3HG1      ILE  39  -3.111  11.471   5.596
  331   HG21  ILE  39          1HG2      ILE  39  -0.009   8.579   5.884
  332   HG22  ILE  39          2HG2      ILE  39   0.281  10.221   6.460
  333   HG23  ILE  39          3HG2      ILE  39   0.128   9.907   4.729
  334   HD11  ILE  39          3HD1      ILE  39  -1.832  13.210   6.685
  335   HD12  ILE  39          1HD1      ILE  39  -0.489  12.091   6.936
  336   HD13  ILE  39          2HD1      ILE  39  -2.032  11.820   7.752
  337    H    VAL  40           H        VAL  40  -1.264   7.547   3.091
  338    HA   VAL  40           HA       VAL  40  -1.661   5.130   4.692
  339    HB   VAL  40           HB       VAL  40  -0.959   3.850   2.768
  340   HG11  VAL  40          1HG1      VAL  40  -2.915   6.001   1.970
  341   HG12  VAL  40          2HG1      VAL  40  -3.293   4.526   2.857
  342   HG13  VAL  40          3HG1      VAL  40  -2.731   4.430   1.189
  343   HG21  VAL  40          3HG2      VAL  40  -0.385   4.908   0.637
  344   HG22  VAL  40          1HG2      VAL  40   0.766   5.328   1.906
  345   HG23  VAL  40          2HG2      VAL  40  -0.461   6.491   1.410
  346    H    THR  41           H        THR  41  -0.044   4.100   5.700
  347    HA   THR  41           HA       THR  41   2.592   5.351   5.630
  348    HB   THR  41           HB       THR  41   3.007   3.897   7.656
  349    HG1  THR  41           HG1      THR  41   1.193   2.944   8.624
  350   HG21  THR  41          3HG2      THR  41   0.686   5.820   7.805
  351   HG22  THR  41          1HG2      THR  41   2.394   6.257   7.855
  352   HG23  THR  41          2HG2      THR  41   1.688   5.303   9.164
  353    HA   PRO  42           HA       PRO  42   4.533   2.125   3.336
  354    HB2  PRO  42           2HB      PRO  42   6.796   1.690   4.871
  355    HB3  PRO  42           3HB      PRO  42   6.620   2.971   3.669
  356    HG2  PRO  42           2HG      PRO  42   6.308   3.098   6.635
  357    HG3  PRO  42           3HG      PRO  42   7.039   4.277   5.530
  358    HD2  PRO  42           2HD      PRO  42   4.583   4.634   6.539
  359    HD3  PRO  42           3HD      PRO  42   4.985   5.129   4.882
  360    H    GLU  43           H        GLU  43   4.071   1.717   6.777
  361    HA   GLU  43           HA       GLU  43   4.551  -1.024   7.045
  362    HB2  GLU  43           2HB      GLU  43   2.546   0.726   8.488
  363    HB3  GLU  43           3HB      GLU  43   2.955  -0.908   8.977
  364    HG2  GLU  43           2HG      GLU  43   4.126   0.634  10.369
  365    HG3  GLU  43           3HG      GLU  43   5.295  -0.167   9.319
  366    H    LEU  44           H        LEU  44   1.648   0.746   6.091
  367    HA   LEU  44           HA       LEU  44  -0.009  -1.550   5.828
  368    HB2  LEU  44           2HB      LEU  44  -0.212   1.327   5.140
  369    HB3  LEU  44           3HB      LEU  44  -1.241   0.235   4.241
  370    HG   LEU  44           HG       LEU  44  -2.269  -0.551   6.311
  371   HD11  LEU  44          1HD1      LEU  44  -1.768   0.519   8.447
  372   HD12  LEU  44          2HD1      LEU  44  -0.468   1.437   7.690
  373   HD13  LEU  44          3HD1      LEU  44  -0.357  -0.320   7.804
  374   HD21  LEU  44          3HD2      LEU  44  -3.431   1.516   6.922
  375   HD22  LEU  44          1HD2      LEU  44  -3.243   1.364   5.175
  376   HD23  LEU  44          2HD2      LEU  44  -2.197   2.455   6.084
  377    H    VAL  45           H        VAL  45   1.997   0.303   3.599
  378    HA   VAL  45           HA       VAL  45   1.223  -0.969   1.216
  379    HB   VAL  45           HB       VAL  45   3.959   0.131   1.887
  380   HG11  VAL  45          1HG1      VAL  45   3.921  -1.278  -0.118
  381   HG12  VAL  45          2HG1      VAL  45   4.217   0.414  -0.514
  382   HG13  VAL  45          3HG1      VAL  45   2.621  -0.287  -0.785
  383   HG21  VAL  45          3HG2      VAL  45   2.223   1.791   2.283
  384   HG22  VAL  45          1HG2      VAL  45   1.570   1.510   0.669
  385   HG23  VAL  45          2HG2      VAL  45   3.177   2.211   0.861
  386    H    GLU  46           H        GLU  46   3.915  -1.656   3.427
  387    HA   GLU  46           HA       GLU  46   4.832  -3.949   2.076
  388    HB2  GLU  46           2HB      GLU  46   6.178  -2.725   3.736
  389    HB3  GLU  46           3HB      GLU  46   5.084  -3.252   5.008
  390    HG2  GLU  46           2HG      GLU  46   5.755  -5.505   4.783
  391    HG3  GLU  46           3HG      GLU  46   6.611  -5.171   3.276
  392    H    GLN  47           H        GLN  47   2.562  -3.524   4.757
  393    HA   GLN  47           HA       GLN  47   2.030  -6.181   5.343
  394    HB2  GLN  47           2HB      GLN  47   1.154  -4.310   6.670
  395    HB3  GLN  47           3HB      GLN  47   0.086  -3.862   5.347
  396    HG2  GLN  47           2HG      GLN  47  -1.144  -5.052   7.044
  397    HG3  GLN  47           3HG      GLN  47  -1.075  -6.011   5.567
  398   HE21  GLN  47          1HE2      GLN  47  -1.381  -7.980   6.552
  399   HE22  GLN  47          2HE2      GLN  47  -0.208  -8.696   7.602
  400    H    ALA  48           H        ALA  48   0.418  -4.075   2.971
  401    HA   ALA  48           HA       ALA  48  -1.389  -6.012   2.025
  402    HB1  ALA  48           3HB      ALA  48  -0.273  -3.627   0.566
  403    HB2  ALA  48           1HB      ALA  48  -1.678  -3.623   1.632
  404    HB3  ALA  48           2HB      ALA  48  -1.718  -4.535   0.123
  405    H    ARG  49           H        ARG  49   1.961  -5.365   1.235
  406    HA   ARG  49           HA       ARG  49   1.955  -6.912  -1.169
  407    HB2  ARG  49           2HB      ARG  49   3.681  -5.173  -0.663
  408    HB3  ARG  49           3HB      ARG  49   4.328  -6.235   0.584
  409    HG2  ARG  49           2HG      ARG  49   4.756  -7.945  -1.132
  410    HG3  ARG  49           3HG      ARG  49   4.178  -6.826  -2.365
  411    HD2  ARG  49           2HD      ARG  49   6.593  -6.804  -2.306
  412    HD3  ARG  49           3HD      ARG  49   5.971  -5.255  -1.744
  413    HE   ARG  49           HE       ARG  49   6.975  -5.632   0.264
  414   HH11  ARG  49          1HH1      ARG  49   6.572  -8.753  -1.302
  415   HH12  ARG  49          2HH1      ARG  49   7.588  -9.585  -0.163
  416   HH21  ARG  49          1HH2      ARG  49   8.329  -6.736   1.734
  417   HH22  ARG  49          2HH2      ARG  49   8.577  -8.447   1.549
  418    H    LEU  50           H        LEU  50   2.433  -7.560   2.220
  419    HA   LEU  50           HA       LEU  50   3.298 -10.271   1.818
  420    HB2  LEU  50           2HB      LEU  50   2.785  -8.510   4.112
  421    HB3  LEU  50           3HB      LEU  50   2.407 -10.200   4.398
  422    HG   LEU  50           HG       LEU  50   4.671  -9.740   5.116
  423   HD11  LEU  50          1HD1      LEU  50   4.619 -11.316   2.548
  424   HD12  LEU  50          2HD1      LEU  50   4.203 -11.930   4.147
  425   HD13  LEU  50          3HD1      LEU  50   5.857 -11.423   3.800
  426   HD21  LEU  50          3HD2      LEU  50   5.124  -7.807   3.683
  427   HD22  LEU  50          1HD2      LEU  50   5.180  -8.869   2.274
  428   HD23  LEU  50          2HD2      LEU  50   6.395  -9.024   3.544
  429    H    GLU  51           H        GLU  51   0.262  -8.619   2.418
  430    HA   GLU  51           HA       GLU  51  -1.456 -10.744   2.860
  431    HB2  GLU  51           2HB      GLU  51  -1.992  -8.378   1.046
  432    HB3  GLU  51           3HB      GLU  51  -3.205  -9.397   1.804
  433    HG2  GLU  51           2HG      GLU  51  -1.243  -7.754   3.375
  434    HG3  GLU  51           3HG      GLU  51  -2.810  -7.142   2.852
  435    H    PHE  52           H        PHE  52  -0.259  -9.455  -0.231
  436    HA   PHE  52           HA       PHE  52  -1.523 -11.627  -1.687
  437    HB2  PHE  52           2HB      PHE  52   0.180  -9.313  -2.608
  438    HB3  PHE  52           3HB      PHE  52  -0.471 -10.542  -3.688
  439    HD1  PHE  52           HD1      PHE  52  -3.064 -10.916  -3.493
  440    HD2  PHE  52           HD2      PHE  52  -1.016  -7.383  -2.289
  441    HE1  PHE  52           HE1      PHE  52  -5.158  -9.636  -3.697
  442    HE2  PHE  52           HE2      PHE  52  -3.110  -6.101  -2.488
  443    HZ   PHE  52           HZ       PHE  52  -5.180  -7.226  -3.193
  444    H    GLY  53           H        GLY  53   1.543 -10.877  -0.334
  445    HA2  GLY  53           2HA      GLY  53   3.191 -12.557  -1.885
  446    HA3  GLY  53           3HA      GLY  53   3.511 -12.056  -0.230
  447    H    GLN  54           H        GLN  54   1.183 -13.175   0.944
  448    HA   GLN  54           HA       GLN  54   1.762 -16.043   0.676
  449    HB2  GLN  54           2HB      GLN  54   0.310 -14.516   2.845
  450    HB3  GLN  54           3HB      GLN  54   0.538 -16.260   2.830
  451    HG2  GLN  54           2HG      GLN  54   2.745 -14.210   2.913
  452    HG3  GLN  54           3HG      GLN  54   2.128 -15.112   4.298
  453   HE21  GLN  54          1HE2      GLN  54   4.031 -15.250   1.401
  454   HE22  GLN  54          2HE2      GLN  54   4.737 -16.800   1.696
  455    H    LEU  55           H        LEU  55  -0.408 -13.721  -0.317
  456    HA   LEU  55           HA       LEU  55  -2.446 -13.704  -1.289
  457    HB2  LEU  55           2HB      LEU  55  -1.345 -15.626  -2.550
  458    HB3  LEU  55           3HB      LEU  55  -2.245 -16.702  -1.499
  459    HG   LEU  55           HG       LEU  55  -4.356 -15.764  -2.336
  460   HD11  LEU  55          1HD1      LEU  55  -3.569 -13.514  -2.862
  461   HD12  LEU  55          2HD1      LEU  55  -4.348 -14.257  -4.260
  462   HD13  LEU  55          3HD1      LEU  55  -2.589 -14.157  -4.178
  463   HD21  LEU  55          3HD2      LEU  55  -4.236 -16.692  -4.594
  464   HD22  LEU  55          1HD2      LEU  55  -3.399 -17.717  -3.428
  465   HD23  LEU  55          2HD2      LEU  55  -2.474 -16.674  -4.507
  466    H    GLU  56           H        GLU  56  -2.386 -13.512   1.290
  467    HA   GLU  56           HA       GLU  56  -3.206 -13.937   3.342
  468    HB2  GLU  56           2HB      GLU  56  -5.652 -13.595   3.462
  469    HB3  GLU  56           3HB      GLU  56  -4.789 -12.402   2.511
  470    HG2  GLU  56           2HG      GLU  56  -5.537 -13.525   0.461
  471    HG3  GLU  56           3HG      GLU  56  -6.432 -14.686   1.446
  472    H    HIS  57           H        HIS  57  -5.824 -15.811   1.832
  473    HA   HIS  57           HA       HIS  57  -6.632 -17.894   2.288
  474    HB2  HIS  57           2HB      HIS  57  -4.409 -18.606   1.451
  475    HB3  HIS  57           3HB      HIS  57  -3.750 -18.457   3.071
  476    HD1  HIS  57           HD1      HIS  57  -6.059 -20.623   1.015
  477    HD2  HIS  57           HD2      HIS  57  -4.113 -20.658   4.694
  478    HE1  HIS  57           HE1      HIS  57  -6.333 -22.958   1.910
  479    HE2  HIS  57           HE2      HIS  57  -5.241 -22.931   4.185
  480    H    HIS  58           H        HIS  58  -6.306 -15.705   4.339
  481    HA   HIS  58           HA       HIS  58  -6.226 -15.263   6.561
  482    HB2  HIS  58           2HB      HIS  58  -8.496 -16.494   6.120
  483    HB3  HIS  58           3HB      HIS  58  -7.761 -17.796   7.053
  484    HD1  HIS  58           HD1      HIS  58  -9.248 -17.541   9.111
  485    HD2  HIS  58           HD2      HIS  58  -7.302 -14.029   8.034
  486    HE1  HIS  58           HE1      HIS  58  -9.613 -15.947  11.025
  487    HE2  HIS  58           HE2      HIS  58  -8.604 -13.766  10.253
  488    H    HIS  59           H        HIS  59  -3.930 -15.995   6.062
  489    HA   HIS  59           HA       HIS  59  -2.869 -18.439   6.783
  490    HB2  HIS  59           2HB      HIS  59  -1.813 -16.375   5.600
  491    HB3  HIS  59           3HB      HIS  59  -1.368 -15.876   7.226
  492    HD1  HIS  59           HD1      HIS  59  -0.565 -18.375   4.567
  493    HD2  HIS  59           HD2      HIS  59   0.663 -17.404   8.426
  494    HE1  HIS  59           HE1      HIS  59   1.580 -19.626   4.938
  495    HE2  HIS  59           HE2      HIS  59   2.371 -18.933   7.226
  496    H    HIS  60           H        HIS  60  -2.268 -19.394   8.630
  497    HA   HIS  60           HA       HIS  60  -3.391 -18.335  11.077
  498    HB2  HIS  60           2HB      HIS  60  -1.958 -20.929  10.474
  499    HB3  HIS  60           3HB      HIS  60  -2.673 -20.535  12.030
  500    HD1  HIS  60           HD1      HIS  60  -5.023 -21.260  12.350
  501    HD2  HIS  60           HD2      HIS  60  -3.984 -21.025   8.328
  502    HE1  HIS  60           HE1      HIS  60  -6.992 -22.183  11.083
  503    HE2  HIS  60           HE2      HIS  60  -6.303 -22.121   8.659
  504    H    HIS  61           H        HIS  61  -0.842 -17.223   9.802
  505    HA   HIS  61           HA       HIS  61   1.176 -16.386  10.435
  506    HB2  HIS  61           2HB      HIS  61   0.002 -16.965  13.149
  507    HB3  HIS  61           3HB      HIS  61   1.631 -16.328  12.976
  508    HD1  HIS  61           HD1      HIS  61   1.170 -14.069  14.004
  509    HD2  HIS  61           HD2      HIS  61  -1.367 -14.958  10.825
  510    HE1  HIS  61           HE1      HIS  61  -0.030 -11.923  13.471
  511    HE2  HIS  61           HE2      HIS  61  -1.581 -12.477  11.559
  512    H    HIS  62           H        HIS  62   3.095 -17.118  12.217
  513    HA   HIS  62           HA       HIS  62   3.311 -19.991  12.296
  514    HB2  HIS  62           2HB      HIS  62   5.579 -19.969  11.171
  515    HB3  HIS  62           3HB      HIS  62   4.203 -19.749  10.105
  516    HD1  HIS  62           HD1      HIS  62   7.373 -18.224  11.125
  517    HD2  HIS  62           HD2      HIS  62   3.910 -17.014   9.168
  518    HE1  HIS  62           HE1      HIS  62   7.977 -16.090   9.929
  519    HE2  HIS  62           HE2      HIS  62   5.830 -15.312   8.854
  Start of MODEL   15
    1    H1   MET   1           1H       MET   1  -8.674   9.233  -5.682
    2    H2   MET   1           2H       MET   1  -8.862   7.568  -5.430
    3    H3   MET   1           3H       MET   1  -9.844   8.366  -6.562
    4    HA   MET   1           HA       MET   1  -8.203   7.179  -7.766
    5    HB2  MET   1           2HB      MET   1  -8.725   9.447  -8.583
    6    HB3  MET   1           3HB      MET   1  -7.446  10.106  -7.573
    7    HG2  MET   1           2HG      MET   1  -5.795   8.804  -8.845
    8    HG3  MET   1           3HG      MET   1  -7.090   8.205  -9.878
    9    HE1  MET   1           3HE      MET   1  -8.939  10.780 -10.136
   10    HE2  MET   1           1HE      MET   1  -8.522   9.774 -11.522
   11    HE3  MET   1           2HE      MET   1  -8.310  11.523 -11.607
   12    H    ASN   2           H        ASN   2  -6.659   9.421  -5.485
   13    HA   ASN   2           HA       ASN   2  -4.830   7.323  -4.695
   14    HB2  ASN   2           2HB      ASN   2  -2.800   8.536  -5.082
   15    HB3  ASN   2           3HB      ASN   2  -3.679   8.517  -6.604
   16   HD21  ASN   2          1HD2      ASN   2  -2.479  10.454  -4.007
   17   HD22  ASN   2          2HD2      ASN   2  -2.842  11.996  -4.707
   18    H    LEU   3           H        LEU   3  -4.250   7.527  -2.595
   19    HA   LEU   3           HA       LEU   3  -5.391   9.781  -1.133
   20    HB2  LEU   3           2HB      LEU   3  -4.097   7.253  -0.103
   21    HB3  LEU   3           3HB      LEU   3  -4.895   8.465   0.879
   22    HG   LEU   3           HG       LEU   3  -6.174   6.597  -1.111
   23   HD11  LEU   3          1HD1      LEU   3  -5.645   5.655   1.085
   24   HD12  LEU   3          2HD1      LEU   3  -7.386   5.782   0.827
   25   HD13  LEU   3          3HD1      LEU   3  -6.558   6.953   1.855
   26   HD21  LEU   3          3HD2      LEU   3  -7.464   8.828   0.457
   27   HD22  LEU   3          1HD2      LEU   3  -8.293   7.654  -0.564
   28   HD23  LEU   3          2HD2      LEU   3  -7.190   8.826  -1.287
   29    H    ARG   4           H        ARG   4  -3.863  10.332   0.924
   30    HA   ARG   4           HA       ARG   4  -1.492  11.458  -0.217
   31    HB2  ARG   4           2HB      ARG   4  -2.708  12.624   1.564
   32    HB3  ARG   4           3HB      ARG   4  -2.337  11.318   2.682
   33    HG2  ARG   4           2HG      ARG   4  -0.009  11.825   2.614
   34    HG3  ARG   4           3HG      ARG   4  -0.247  12.988   1.307
   35    HD2  ARG   4           2HD      ARG   4  -1.591  14.379   2.795
   36    HD3  ARG   4           3HD      ARG   4  -1.358  13.218   4.098
   37    HE   ARG   4           HE       ARG   4   1.083  13.748   3.885
   38   HH11  ARG   4          1HH1      ARG   4  -1.349  16.049   2.823
   39   HH12  ARG   4          2HH1      ARG   4  -0.346  17.440   3.142
   40   HH21  ARG   4          1HH2      ARG   4   2.389  15.592   4.305
   41   HH22  ARG   4          2HH2      ARG   4   1.759  17.176   3.963
   42    H    TRP   5           H        TRP   5  -0.115   9.937  -0.907
   43    HA   TRP   5           HA       TRP   5   0.675   7.733   0.767
   44    HB2  TRP   5           2HB      TRP   5   1.589   8.676  -1.950
   45    HB3  TRP   5           3HB      TRP   5   2.318   7.307  -1.121
   46    HD1  TRP   5           HD1      TRP   5  -1.184   8.355  -2.459
   47    HE1  TRP   5           HE1      TRP   5  -2.434   6.207  -3.162
   48    HE3  TRP   5           HE3      TRP   5   2.296   4.893  -1.021
   49    HZ2  TRP   5           HZ2      TRP   5  -1.976   3.431  -3.133
   50    HZ3  TRP   5           HZ3      TRP   5   1.817   2.512  -1.407
   51    HH2  TRP   5           HH2      TRP   5  -0.278   1.799  -2.440
   52    H    THR   6           H        THR   6   2.202   7.826   2.270
   53    HA   THR   6           HA       THR   6   3.884  10.084   2.614
   54    HB   THR   6           HB       THR   6   5.114   8.573   4.248
   55    HG1  THR   6           HG1      THR   6   2.954   6.782   4.008
   56   HG21  THR   6          3HG2      THR   6   3.298   8.568   5.874
   57   HG22  THR   6          1HG2      THR   6   2.124   8.803   4.580
   58   HG23  THR   6          2HG2      THR   6   3.300  10.068   4.944
   59    H    SER   7           H        SER   7   6.248  10.064   2.488
   60    HA   SER   7           HA       SER   7   7.094   9.409  -0.085
   61    HB2  SER   7           2HB      SER   7   8.889   9.905   2.294
   62    HB3  SER   7           3HB      SER   7   9.239  10.227   0.593
   63    HG   SER   7           HG       SER   7   7.708  11.861   0.596
   64    H    GLU   8           H        GLU   8   7.494   7.691   2.973
   65    HA   GLU   8           HA       GLU   8   9.221   5.687   1.880
   66    HB2  GLU   8           2HB      GLU   8   7.599   5.796   4.418
   67    HB3  GLU   8           3HB      GLU   8   8.661   4.456   4.004
   68    HG2  GLU   8           2HG      GLU   8  10.564   5.980   3.939
   69    HG3  GLU   8           3HG      GLU   8   9.497   7.323   4.350
   70    H    ALA   9           H        ALA   9   5.735   5.974   2.371
   71    HA   ALA   9           HA       ALA   9   5.074   3.298   1.755
   72    HB1  ALA   9           3HB      ALA   9   3.492   4.849   2.812
   73    HB2  ALA   9           1HB      ALA   9   2.820   4.120   1.355
   74    HB3  ALA   9           2HB      ALA   9   3.412   5.779   1.315
   75    H    LYS  10           H        LYS  10   5.391   6.199  -0.241
   76    HA   LYS  10           HA       LYS  10   4.683   5.123  -2.717
   77    HB2  LYS  10           2HB      LYS  10   6.779   7.230  -2.126
   78    HB3  LYS  10           3HB      LYS  10   6.036   6.938  -3.694
   79    HG2  LYS  10           2HG      LYS  10   3.866   7.571  -2.808
   80    HG3  LYS  10           3HG      LYS  10   4.576   7.823  -1.213
   81    HD2  LYS  10           2HD      LYS  10   4.298   9.951  -2.343
   82    HD3  LYS  10           3HD      LYS  10   6.017   9.588  -2.164
   83    HE2  LYS  10           2HE      LYS  10   6.139   8.856  -4.460
   84    HE3  LYS  10           3HE      LYS  10   4.400   9.069  -4.654
   85    HZ1  LYS  10           3HZ      LYS  10   6.335  11.240  -4.070
   86    HZ2  LYS  10           1HZ      LYS  10   4.667  11.431  -4.320
   87    HZ3  LYS  10           2HZ      LYS  10   5.663  10.910  -5.588
   88    H    THR  11           H        THR  11   7.828   5.248  -1.100
   89    HA   THR  11           HA       THR  11   9.308   3.970  -3.129
   90    HB   THR  11           HB       THR  11   9.864   4.004  -0.153
   91    HG1  THR  11           HG1      THR  11   9.917   6.106  -0.614
   92   HG21  THR  11          3HG2      THR  11  12.211   3.761  -0.828
   93   HG22  THR  11          1HG2      THR  11  11.715   3.645  -2.516
   94   HG23  THR  11          2HG2      THR  11  11.243   2.391  -1.370
   95    H    LYS  12           H        LYS  12   7.638   2.726  -0.253
   96    HA   LYS  12           HA       LYS  12   8.340   0.023  -0.525
   97    HB2  LYS  12           2HB      LYS  12   5.916   1.351   0.683
   98    HB3  LYS  12           3HB      LYS  12   6.170  -0.386   0.742
   99    HG2  LYS  12           2HG      LYS  12   8.158   1.595   1.813
  100    HG3  LYS  12           3HG      LYS  12   6.861   0.896   2.784
  101    HD2  LYS  12           2HD      LYS  12   7.732  -1.356   2.287
  102    HD3  LYS  12           3HD      LYS  12   9.053  -0.626   1.371
  103    HE2  LYS  12           2HE      LYS  12   9.903   0.445   3.344
  104    HE3  LYS  12           3HE      LYS  12   8.503  -0.072   4.281
  105    HZ1  LYS  12           3HZ      LYS  12  10.411  -1.460   4.732
  106    HZ2  LYS  12           1HZ      LYS  12  10.553  -1.860   3.091
  107    HZ3  LYS  12           2HZ      LYS  12   9.196  -2.372   3.974
  108    H    LEU  13           H        LEU  13   5.633   1.859  -1.886
  109    HA   LEU  13           HA       LEU  13   4.267  -0.267  -3.092
  110    HB2  LEU  13           2HB      LEU  13   3.337   1.991  -2.828
  111    HB3  LEU  13           3HB      LEU  13   4.486   2.603  -4.002
  112    HG   LEU  13           HG       LEU  13   3.430   1.139  -5.724
  113   HD11  LEU  13          1HD1      LEU  13   1.385   0.663  -3.562
  114   HD12  LEU  13          2HD1      LEU  13   2.481  -0.539  -4.243
  115   HD13  LEU  13          3HD1      LEU  13   1.231   0.185  -5.254
  116   HD21  LEU  13          3HD2      LEU  13   2.831   3.498  -5.520
  117   HD22  LEU  13          1HD2      LEU  13   1.581   3.083  -4.345
  118   HD23  LEU  13          2HD2      LEU  13   1.444   2.527  -6.014
  119    H    LYS  14           H        LYS  14   6.976   1.671  -4.202
  120    HA   LYS  14           HA       LYS  14   7.006   0.645  -6.859
  121    HB2  LYS  14           2HB      LYS  14   9.141   2.052  -5.249
  122    HB3  LYS  14           3HB      LYS  14   9.241   1.722  -6.975
  123    HG2  LYS  14           2HG      LYS  14   7.443   3.180  -7.453
  124    HG3  LYS  14           3HG      LYS  14   7.015   3.319  -5.746
  125    HD2  LYS  14           2HD      LYS  14   9.124   4.471  -5.307
  126    HD3  LYS  14           3HD      LYS  14   9.566   4.316  -7.010
  127    HE2  LYS  14           2HE      LYS  14   7.710   5.700  -7.668
  128    HE3  LYS  14           3HE      LYS  14   7.110   5.749  -6.010
  129    HZ1  LYS  14           3HZ      LYS  14   8.338   7.764  -6.718
  130    HZ2  LYS  14           1HZ      LYS  14   9.748   6.826  -6.843
  131    HZ3  LYS  14           2HZ      LYS  14   8.988   7.016  -5.338
  132    H    ASN  15           H        ASN  15   7.818  -0.740  -3.930
  133    HA   ASN  15           HA       ASN  15   9.792  -2.552  -5.097
  134    HB2  ASN  15           2HB      ASN  15   8.885  -1.976  -2.299
  135    HB3  ASN  15           3HB      ASN  15   9.662  -3.518  -2.661
  136   HD21  ASN  15          1HD2      ASN  15  10.078  -0.048  -2.566
  137   HD22  ASN  15          2HD2      ASN  15  11.813  -0.068  -2.607
  138    H    ILE  16           H        ILE  16   6.559  -2.284  -5.053
  139    HA   ILE  16           HA       ILE  16   6.037  -5.156  -4.897
  140    HB   ILE  16           HB       ILE  16   4.137  -2.855  -5.413
  141   HG12  ILE  16          2HG1      ILE  16   4.623  -4.478  -2.906
  142   HG13  ILE  16          3HG1      ILE  16   5.122  -2.809  -3.160
  143   HG21  ILE  16          1HG2      ILE  16   3.574  -5.764  -4.853
  144   HG22  ILE  16          2HG2      ILE  16   3.319  -4.922  -6.382
  145   HG23  ILE  16          3HG2      ILE  16   2.360  -4.487  -4.968
  146   HD11  ILE  16          3HD1      ILE  16   2.793  -2.128  -3.306
  147   HD12  ILE  16          1HD1      ILE  16   3.122  -2.961  -1.786
  148   HD13  ILE  16          2HD1      ILE  16   2.283  -3.805  -3.090
  149    HA   PRO  17           HA       PRO  17   6.790  -5.815  -9.247
  150    HB2  PRO  17           2HB      PRO  17   4.494  -7.699  -8.911
  151    HB3  PRO  17           3HB      PRO  17   6.080  -7.975  -9.643
  152    HG2  PRO  17           2HG      PRO  17   5.540  -8.895  -7.207
  153    HG3  PRO  17           3HG      PRO  17   7.135  -8.222  -7.593
  154    HD2  PRO  17           2HD      PRO  17   4.908  -7.033  -6.012
  155    HD3  PRO  17           3HD      PRO  17   6.661  -6.850  -5.812
  156    H    PHE  18           H        PHE  18   5.969  -5.098 -11.148
  157    HA   PHE  18           HA       PHE  18   4.159  -3.032 -11.164
  158    HB2  PHE  18           2HB      PHE  18   5.792  -3.437 -12.950
  159    HB3  PHE  18           3HB      PHE  18   4.871  -4.840 -13.482
  160    HD1  PHE  18           HD2      PHE  18   4.735  -1.158 -13.117
  161    HD2  PHE  18           HD1      PHE  18   3.072  -4.612 -14.966
  162    HE1  PHE  18           HE2      PHE  18   3.420   0.283 -14.615
  163    HE2  PHE  18           HE1      PHE  18   1.751  -3.177 -16.465
  164    HZ   PHE  18           HZ       PHE  18   1.924  -0.727 -16.291
  165    H    PHE  19           H        PHE  19   3.515  -6.398 -12.070
  166    HA   PHE  19           HA       PHE  19   0.929  -6.056 -13.057
  167    HB2  PHE  19           2HB      PHE  19   2.109  -8.084 -13.491
  168    HB3  PHE  19           3HB      PHE  19   2.284  -8.425 -11.776
  169    HD1  PHE  19           HD2      PHE  19  -0.283  -8.066 -14.445
  170    HD2  PHE  19           HD1      PHE  19   0.757  -9.786 -10.692
  171    HE1  PHE  19           HE2      PHE  19  -2.336  -9.421 -14.502
  172    HE2  PHE  19           HE1      PHE  19  -1.296 -11.145 -10.742
  173    HZ   PHE  19           HZ       PHE  19  -2.845 -10.964 -12.649
  174    H    ALA  20           H        ALA  20   2.054  -6.293  -9.758
  175    HA   ALA  20           HA       ALA  20  -0.749  -6.352  -8.864
  176    HB1  ALA  20           3HB      ALA  20   0.555  -8.339  -8.203
  177    HB2  ALA  20           1HB      ALA  20  -0.025  -7.410  -6.821
  178    HB3  ALA  20           2HB      ALA  20   1.662  -7.290  -7.316
  179    H    ARG  21           H        ARG  21   1.727  -4.259  -9.288
  180    HA   ARG  21           HA       ARG  21   1.785  -2.883  -6.814
  181    HB2  ARG  21           2HB      ARG  21   3.591  -2.471  -8.295
  182    HB3  ARG  21           3HB      ARG  21   2.515  -2.051  -9.622
  183    HG2  ARG  21           2HG      ARG  21   2.165   0.066  -8.853
  184    HG3  ARG  21           3HG      ARG  21   2.409  -0.387  -7.166
  185    HD2  ARG  21           2HD      ARG  21   4.201   1.067  -8.060
  186    HD3  ARG  21           3HD      ARG  21   4.789  -0.488  -7.480
  187    HE   ARG  21           HE       ARG  21   4.984  -1.169  -9.814
  188   HH11  ARG  21          1HH1      ARG  21   4.547   2.262  -9.231
  189   HH12  ARG  21          2HH1      ARG  21   5.453   2.742 -10.639
  190   HH21  ARG  21          1HH2      ARG  21   6.187  -0.540 -11.649
  191   HH22  ARG  21          2HH2      ARG  21   6.356   1.154 -12.025
  192    H    SER  22           H        SER  22  -0.191  -2.513  -9.717
  193    HA   SER  22           HA       SER  22  -1.629  -0.262  -8.731
  194    HB2  SER  22           2HB      SER  22  -3.282  -1.078 -10.581
  195    HB3  SER  22           3HB      SER  22  -1.698  -0.453 -11.048
  196    HG   SER  22           HG       SER  22  -1.805  -2.316 -12.130
  197    H    GLN  23           H        GLN  23  -2.192  -3.751  -8.756
  198    HA   GLN  23           HA       GLN  23  -4.760  -3.723  -7.606
  199    HB2  GLN  23           2HB      GLN  23  -3.925  -5.722  -8.682
  200    HB3  GLN  23           3HB      GLN  23  -2.588  -5.826  -7.544
  201    HG2  GLN  23           2HG      GLN  23  -4.246  -7.460  -6.979
  202    HG3  GLN  23           3HG      GLN  23  -4.202  -6.221  -5.728
  203   HE21  GLN  23          1HE2      GLN  23  -5.754  -5.925  -8.875
  204   HE22  GLN  23          2HE2      GLN  23  -7.375  -5.820  -8.267
  205    H    ALA  24           H        ALA  24  -1.536  -4.054  -6.137
  206    HA   ALA  24           HA       ALA  24  -2.403  -4.270  -3.474
  207    HB1  ALA  24           3HB      ALA  24   0.202  -3.160  -4.507
  208    HB2  ALA  24           1HB      ALA  24  -0.141  -4.859  -4.184
  209    HB3  ALA  24           2HB      ALA  24  -0.115  -3.697  -2.857
  210    H    LYS  25           H        LYS  25  -1.488  -1.452  -5.426
  211    HA   LYS  25           HA       LYS  25  -1.629   0.539  -3.523
  212    HB2  LYS  25           2HB      LYS  25  -0.892   1.027  -5.765
  213    HB3  LYS  25           3HB      LYS  25  -2.467   0.603  -6.426
  214    HG2  LYS  25           2HG      LYS  25  -3.465   2.506  -5.281
  215    HG3  LYS  25           3HG      LYS  25  -1.894   2.926  -4.601
  216    HD2  LYS  25           2HD      LYS  25  -1.015   3.239  -6.875
  217    HD3  LYS  25           3HD      LYS  25  -2.610   2.860  -7.529
  218    HE2  LYS  25           2HE      LYS  25  -1.957   5.166  -5.696
  219    HE3  LYS  25           3HE      LYS  25  -2.213   5.277  -7.434
  220    HZ1  LYS  25           3HZ      LYS  25  -4.180   4.784  -5.297
  221    HZ2  LYS  25           1HZ      LYS  25  -4.481   4.178  -6.857
  222    HZ3  LYS  25           2HZ      LYS  25  -4.270   5.839  -6.621
  223    H    ALA  26           H        ALA  26  -4.258  -0.887  -5.413
  224    HA   ALA  26           HA       ALA  26  -6.338   0.722  -4.457
  225    HB1  ALA  26           3HB      ALA  26  -7.832  -1.070  -5.210
  226    HB2  ALA  26           1HB      ALA  26  -6.448  -2.148  -5.386
  227    HB3  ALA  26           2HB      ALA  26  -6.589  -0.719  -6.408
  228    H    ARG  27           H        ARG  27  -4.999  -2.321  -3.237
  229    HA   ARG  27           HA       ARG  27  -6.902  -2.622  -1.152
  230    HB2  ARG  27           2HB      ARG  27  -4.118  -3.783  -1.416
  231    HB3  ARG  27           3HB      ARG  27  -5.333  -4.310  -0.260
  232    HG2  ARG  27           2HG      ARG  27  -5.637  -4.443  -3.255
  233    HG3  ARG  27           3HG      ARG  27  -5.157  -5.790  -2.221
  234    HD2  ARG  27           2HD      ARG  27  -7.617  -4.391  -1.423
  235    HD3  ARG  27           3HD      ARG  27  -7.707  -5.263  -2.950
  236    HE   ARG  27           HE       ARG  27  -6.562  -6.893  -0.928
  237   HH11  ARG  27          1HH1      ARG  27  -9.625  -5.575  -2.009
  238   HH12  ARG  27          2HH1      ARG  27 -10.559  -6.896  -1.367
  239   HH21  ARG  27          1HH2      ARG  27  -7.781  -8.643  -0.110
  240   HH22  ARG  27          2HH2      ARG  27  -9.521  -8.628  -0.268
  241    H    ILE  28           H        ILE  28  -3.702  -1.144  -1.356
  242    HA   ILE  28           HA       ILE  28  -3.306  -0.679   1.385
  243    HB   ILE  28           HB       ILE  28  -2.299   0.923  -0.973
  244   HG12  ILE  28          2HG1      ILE  28  -0.881  -1.197   0.648
  245   HG13  ILE  28          3HG1      ILE  28  -1.707  -1.528  -0.868
  246   HG21  ILE  28          1HG2      ILE  28  -1.399   0.906   1.907
  247   HG22  ILE  28          2HG2      ILE  28  -2.136   2.251   1.036
  248   HG23  ILE  28          3HG2      ILE  28  -0.529   1.682   0.586
  249   HD11  ILE  28          3HD1      ILE  28   0.675  -1.282  -1.205
  250   HD12  ILE  28          1HD1      ILE  28   0.626   0.328  -0.488
  251   HD13  ILE  28          2HD1      ILE  28  -0.204   0.018  -2.014
  252    H    GLU  29           H        GLU  29  -4.750   1.400  -1.117
  253    HA   GLU  29           HA       GLU  29  -5.268   3.555   0.651
  254    HB2  GLU  29           2HB      GLU  29  -6.586   2.892  -1.993
  255    HB3  GLU  29           3HB      GLU  29  -6.690   4.437  -1.154
  256    HG2  GLU  29           2HG      GLU  29  -4.233   4.658  -1.342
  257    HG3  GLU  29           3HG      GLU  29  -4.203   3.171  -2.285
  258    H    GLN  30           H        GLN  30  -7.021   0.650  -0.171
  259    HA   GLN  30           HA       GLN  30  -9.442   1.435   1.147
  260    HB2  GLN  30           2HB      GLN  30  -8.399  -1.278   0.335
  261    HB3  GLN  30           3HB      GLN  30  -9.997  -0.997   1.011
  262    HG2  GLN  30           2HG      GLN  30  -8.951   0.228  -1.519
  263    HG3  GLN  30           3HG      GLN  30 -10.005  -1.182  -1.434
  264   HE21  GLN  30          1HE2      GLN  30 -12.147  -0.911  -0.828
  265   HE22  GLN  30          2HE2      GLN  30 -12.924   0.634  -0.853
  266    H    LEU  31           H        LEU  31  -6.520  -0.305   2.061
  267    HA   LEU  31           HA       LEU  31  -7.321  -1.021   4.669
  268    HB2  LEU  31           2HB      LEU  31  -4.582  -0.402   3.554
  269    HB3  LEU  31           3HB      LEU  31  -4.861  -1.072   5.150
  270    HG   LEU  31           HG       LEU  31  -5.667  -2.426   2.576
  271   HD11  LEU  31          1HD1      LEU  31  -3.288  -2.933   4.356
  272   HD12  LEU  31          2HD1      LEU  31  -3.249  -2.274   2.721
  273   HD13  LEU  31          3HD1      LEU  31  -3.785  -3.931   2.989
  274   HD21  LEU  31          3HD2      LEU  31  -5.976  -4.386   4.007
  275   HD22  LEU  31          1HD2      LEU  31  -7.035  -3.060   4.484
  276   HD23  LEU  31          2HD2      LEU  31  -5.586  -3.412   5.423
  277    H    ALA  32           H        ALA  32  -5.976   1.907   3.283
  278    HA   ALA  32           HA       ALA  32  -5.643   3.324   5.710
  279    HB1  ALA  32           3HB      ALA  32  -6.195   4.422   2.954
  280    HB2  ALA  32           1HB      ALA  32  -4.605   4.006   3.592
  281    HB3  ALA  32           2HB      ALA  32  -5.531   5.315   4.324
  282    H    ARG  33           H        ARG  33  -8.360   2.970   3.457
  283    HA   ARG  33           HA       ARG  33 -10.077   4.737   4.878
  284    HB2  ARG  33           2HB      ARG  33 -10.615   2.549   2.871
  285    HB3  ARG  33           3HB      ARG  33 -11.889   3.553   3.556
  286    HG2  ARG  33           2HG      ARG  33  -9.504   4.594   2.038
  287    HG3  ARG  33           3HG      ARG  33 -11.119   4.359   1.367
  288    HD2  ARG  33           2HD      ARG  33 -12.043   6.051   2.684
  289    HD3  ARG  33           3HD      ARG  33 -10.691   6.032   3.812
  290    HE   ARG  33           HE       ARG  33  -9.720   6.798   1.310
  291   HH11  ARG  33          1HH1      ARG  33 -11.912   7.996   3.760
  292   HH12  ARG  33          2HH1      ARG  33 -11.532   9.672   3.469
  293   HH21  ARG  33          1HH2      ARG  33  -9.206   9.014   0.927
  294   HH22  ARG  33          2HH2      ARG  33  -9.984  10.245   1.872
  295    H    GLN  34           H        GLN  34  -9.207   1.397   5.272
  296    HA   GLN  34           HA       GLN  34 -11.306   0.797   7.139
  297    HB2  GLN  34           2HB      GLN  34 -10.007  -0.915   5.789
  298    HB3  GLN  34           3HB      GLN  34  -8.651  -0.622   6.871
  299    HG2  GLN  34           2HG      GLN  34  -9.995  -1.346   8.768
  300    HG3  GLN  34           3HG      GLN  34 -11.368  -1.614   7.700
  301   HE21  GLN  34          1HE2      GLN  34  -8.014  -2.390   6.951
  302   HE22  GLN  34          2HE2      GLN  34  -8.246  -4.107   6.902
  303    H    ALA  35           H        ALA  35  -8.087   2.103   7.261
  304    HA   ALA  35           HA       ALA  35  -7.983   2.143  10.156
  305    HB1  ALA  35           3HB      ALA  35  -5.935   1.838   8.844
  306    HB2  ALA  35           1HB      ALA  35  -5.849   3.276   9.857
  307    HB3  ALA  35           2HB      ALA  35  -6.159   3.433   8.127
  308    H    GLU  36           H        GLU  36  -9.488   3.898   7.793
  309    HA   GLU  36           HA       GLU  36 -10.736   5.780   7.786
  310    HB2  GLU  36           2HB      GLU  36 -10.238   5.727  10.768
  311    HB3  GLU  36           3HB      GLU  36 -11.446   6.714   9.954
  312    HG2  GLU  36           2HG      GLU  36 -12.636   4.762   9.230
  313    HG3  GLU  36           3HG      GLU  36 -11.374   3.709   9.867
  314    H    GLN  37           H        GLN  37  -8.059   6.046   7.125
  315    HA   GLN  37           HA       GLN  37  -7.721   8.882   7.714
  316    HB2  GLN  37           2HB      GLN  37  -5.329   8.647   8.161
  317    HB3  GLN  37           3HB      GLN  37  -6.275   7.749   9.339
  318    HG2  GLN  37           2HG      GLN  37  -5.827   5.685   8.011
  319    HG3  GLN  37           3HG      GLN  37  -4.730   6.636   7.012
  320   HE21  GLN  37          1HE2      GLN  37  -2.909   5.507   7.585
  321   HE22  GLN  37          2HE2      GLN  37  -2.214   5.567   9.171
  322    H    ASP  38           H        ASP  38  -6.370   9.975   6.142
  323    HA   ASP  38           HA       ASP  38  -6.708   8.746   3.513
  324    HB2  ASP  38           2HB      ASP  38  -7.492  11.067   3.928
  325    HB3  ASP  38           3HB      ASP  38  -5.831  11.550   4.245
  326    H    ILE  39           H        ILE  39  -4.274   9.458   5.792
  327    HA   ILE  39           HA       ILE  39  -2.101   9.459   3.877
  328    HB   ILE  39           HB       ILE  39  -1.932   9.416   6.891
  329   HG12  ILE  39          2HG1      ILE  39  -1.915  11.829   5.071
  330   HG13  ILE  39          3HG1      ILE  39  -3.308  11.318   6.016
  331   HG21  ILE  39          1HG2      ILE  39   0.138   8.838   5.741
  332   HG22  ILE  39          2HG2      ILE  39   0.276  10.416   6.515
  333   HG23  ILE  39          3HG2      ILE  39   0.026  10.309   4.773
  334   HD11  ILE  39          3HD1      ILE  39  -2.052  11.658   8.066
  335   HD12  ILE  39          1HD1      ILE  39  -2.103  13.129   7.098
  336   HD13  ILE  39          2HD1      ILE  39  -0.641  12.147   7.129
  337    H    VAL  40           H        VAL  40  -1.306   7.589   3.118
  338    HA   VAL  40           HA       VAL  40  -1.653   5.162   4.710
  339    HB   VAL  40           HB       VAL  40  -1.103   3.881   2.804
  340   HG11  VAL  40          1HG1      VAL  40  -3.314   4.881   2.699
  341   HG12  VAL  40          2HG1      VAL  40  -2.639   4.677   1.084
  342   HG13  VAL  40          3HG1      VAL  40  -2.657   6.272   1.839
  343   HG21  VAL  40          3HG2      VAL  40  -0.153   6.393   1.450
  344   HG22  VAL  40          1HG2      VAL  40  -0.202   4.786   0.731
  345   HG23  VAL  40          2HG2      VAL  40   0.881   5.115   2.086
  346    H    THR  41           H        THR  41  -0.002   4.039   5.610
  347    HA   THR  41           HA       THR  41   2.622   5.350   5.591
  348    HB   THR  41           HB       THR  41   3.021   3.937   7.653
  349    HG1  THR  41           HG1      THR  41   0.803   3.347   8.603
  350   HG21  THR  41          3HG2      THR  41   1.666   5.385   9.118
  351   HG22  THR  41          1HG2      THR  41   0.723   5.900   7.719
  352   HG23  THR  41          2HG2      THR  41   2.438   6.298   7.823
  353    HA   PRO  42           HA       PRO  42   4.626   1.905   3.606
  354    HB2  PRO  42           2HB      PRO  42   6.697   1.395   5.384
  355    HB3  PRO  42           3HB      PRO  42   6.737   2.601   4.096
  356    HG2  PRO  42           2HG      PRO  42   6.180   2.948   7.005
  357    HG3  PRO  42           3HG      PRO  42   7.076   4.003   5.899
  358    HD2  PRO  42           2HD      PRO  42   4.569   4.573   6.679
  359    HD3  PRO  42           3HD      PRO  42   5.144   4.949   5.039
  360    H    GLU  43           H        GLU  43   3.682   1.728   6.947
  361    HA   GLU  43           HA       GLU  43   3.981  -1.002   7.474
  362    HB2  GLU  43           2HB      GLU  43   1.718   0.774   8.416
  363    HB3  GLU  43           3HB      GLU  43   2.307  -0.684   9.197
  364    HG2  GLU  43           2HG      GLU  43   3.892   1.849   8.857
  365    HG3  GLU  43           3HG      GLU  43   3.017   1.389  10.317
  366    H    LEU  44           H        LEU  44   1.261   0.805   6.109
  367    HA   LEU  44           HA       LEU  44  -0.430  -1.440   5.732
  368    HB2  LEU  44           2HB      LEU  44  -0.431   1.406   4.844
  369    HB3  LEU  44           3HB      LEU  44  -1.492   0.282   4.017
  370    HG   LEU  44           HG       LEU  44  -2.634  -0.233   6.096
  371   HD11  LEU  44          1HD1      LEU  44  -0.764  -0.019   7.646
  372   HD12  LEU  44          2HD1      LEU  44  -2.138   0.961   8.165
  373   HD13  LEU  44          3HD1      LEU  44  -0.750   1.728   7.395
  374   HD21  LEU  44          3HD2      LEU  44  -3.453   1.634   4.806
  375   HD22  LEU  44          1HD2      LEU  44  -2.329   2.722   5.617
  376   HD23  LEU  44          2HD2      LEU  44  -3.638   1.970   6.528
  377    H    VAL  45           H        VAL  45   1.799   0.309   3.609
  378    HA   VAL  45           HA       VAL  45   1.213  -1.115   1.245
  379    HB   VAL  45           HB       VAL  45   3.896   0.058   1.995
  380   HG11  VAL  45          1HG1      VAL  45   4.190   0.306  -0.424
  381   HG12  VAL  45          2HG1      VAL  45   2.627  -0.464  -0.694
  382   HG13  VAL  45          3HG1      VAL  45   3.948  -1.382   0.028
  383   HG21  VAL  45          3HG2      VAL  45   2.113   1.708   2.306
  384   HG22  VAL  45          1HG2      VAL  45   1.553   1.413   0.658
  385   HG23  VAL  45          2HG2      VAL  45   3.145   2.121   0.937
  386    H    GLU  46           H        GLU  46   3.611  -1.656   3.794
  387    HA   GLU  46           HA       GLU  46   4.848  -3.937   2.771
  388    HB2  GLU  46           2HB      GLU  46   5.420  -2.541   4.871
  389    HB3  GLU  46           3HB      GLU  46   4.248  -3.557   5.698
  390    HG2  GLU  46           2HG      GLU  46   6.417  -4.442   6.101
  391    HG3  GLU  46           3HG      GLU  46   5.563  -5.541   5.018
  392    H    GLN  47           H        GLN  47   2.105  -3.657   5.018
  393    HA   GLN  47           HA       GLN  47   1.469  -6.329   5.309
  394    HB2  GLN  47           2HB      GLN  47   0.200  -3.796   5.822
  395    HB3  GLN  47           3HB      GLN  47  -0.985  -4.955   5.231
  396    HG2  GLN  47           2HG      GLN  47   0.885  -5.429   7.538
  397    HG3  GLN  47           3HG      GLN  47  -0.794  -4.916   7.685
  398   HE21  GLN  47          1HE2      GLN  47  -1.720  -6.572   5.496
  399   HE22  GLN  47          2HE2      GLN  47  -1.709  -8.203   6.067
  400    H    ALA  48           H        ALA  48   0.299  -4.069   2.819
  401    HA   ALA  48           HA       ALA  48  -1.450  -5.859   1.552
  402    HB1  ALA  48           3HB      ALA  48  -1.464  -3.442   1.144
  403    HB2  ALA  48           1HB      ALA  48  -1.369  -4.364  -0.357
  404    HB3  ALA  48           2HB      ALA  48   0.074  -3.584   0.293
  405    H    ARG  49           H        ARG  49   2.025  -5.288   1.099
  406    HA   ARG  49           HA       ARG  49   2.189  -7.009  -1.199
  407    HB2  ARG  49           2HB      ARG  49   3.801  -5.155  -0.789
  408    HB3  ARG  49           3HB      ARG  49   4.418  -6.035   0.605
  409    HG2  ARG  49           2HG      ARG  49   5.153  -7.848  -0.835
  410    HG3  ARG  49           3HG      ARG  49   4.483  -7.020  -2.241
  411    HD2  ARG  49           2HD      ARG  49   6.881  -6.685  -2.117
  412    HD3  ARG  49           3HD      ARG  49   6.032  -5.160  -1.878
  413    HE   ARG  49           HE       ARG  49   6.438  -6.072   0.651
  414   HH11  ARG  49          1HH1      ARG  49   8.570  -5.553  -2.086
  415   HH12  ARG  49          2HH1      ARG  49   9.946  -5.166  -1.096
  416   HH21  ARG  49          1HH2      ARG  49   8.235  -5.521   1.939
  417   HH22  ARG  49          2HH2      ARG  49   9.758  -5.156   1.173
  418    H    LEU  50           H        LEU  50   2.495  -7.314   2.239
  419    HA   LEU  50           HA       LEU  50   3.648  -9.896   2.342
  420    HB2  LEU  50           2HB      LEU  50   3.098  -8.007   4.172
  421    HB3  LEU  50           3HB      LEU  50   1.712  -9.047   4.430
  422    HG   LEU  50           HG       LEU  50   3.514  -9.552   6.002
  423   HD11  LEU  50          1HD1      LEU  50   3.697 -11.972   5.595
  424   HD12  LEU  50          2HD1      LEU  50   3.037 -11.727   3.975
  425   HD13  LEU  50          3HD1      LEU  50   2.051 -11.369   5.393
  426   HD21  LEU  50          3HD2      LEU  50   5.624 -10.506   5.222
  427   HD22  LEU  50          1HD2      LEU  50   5.398  -8.863   4.619
  428   HD23  LEU  50          2HD2      LEU  50   5.127 -10.241   3.550
  429    H    GLU  51           H        GLU  51   0.315  -8.714   2.288
  430    HA   GLU  51           HA       GLU  51  -1.083 -11.092   2.563
  431    HB2  GLU  51           2HB      GLU  51  -1.763  -8.714   0.815
  432    HB3  GLU  51           3HB      GLU  51  -2.889  -9.987   1.261
  433    HG2  GLU  51           2HG      GLU  51  -1.519  -8.111   3.173
  434    HG3  GLU  51           3HG      GLU  51  -3.185  -7.974   2.610
  435    H    PHE  52           H        PHE  52  -0.104  -9.517  -0.482
  436    HA   PHE  52           HA       PHE  52  -0.928 -11.708  -2.100
  437    HB2  PHE  52           2HB      PHE  52   0.900  -9.377  -2.709
  438    HB3  PHE  52           3HB      PHE  52   0.359 -10.545  -3.913
  439    HD1  PHE  52           HD2      PHE  52  -2.219 -10.838  -4.122
  440    HD2  PHE  52           HD1      PHE  52  -0.332  -7.457  -2.360
  441    HE1  PHE  52           HE2      PHE  52  -4.264  -9.517  -4.478
  442    HE2  PHE  52           HE1      PHE  52  -2.373  -6.129  -2.710
  443    HZ   PHE  52           HZ       PHE  52  -4.345  -7.159  -3.768
  444    H    GLY  53           H        GLY  53   2.008 -10.915  -0.433
  445    HA2  GLY  53           2HA      GLY  53   3.744 -12.681  -1.821
  446    HA3  GLY  53           3HA      GLY  53   4.011 -12.015  -0.215
  447    H    GLN  54           H        GLN  54   1.456 -13.140   0.778
  448    HA   GLN  54           HA       GLN  54   2.413 -15.832   1.308
  449    HB2  GLN  54           2HB      GLN  54   0.063 -14.285   2.413
  450    HB3  GLN  54           3HB      GLN  54   0.481 -15.921   2.896
  451    HG2  GLN  54           2HG      GLN  54   2.295 -13.542   3.195
  452    HG3  GLN  54           3HG      GLN  54   1.252 -14.173   4.466
  453   HE21  GLN  54          1HE2      GLN  54   2.984 -14.608   5.798
  454   HE22  GLN  54          2HE2      GLN  54   4.067 -15.931   5.523
  455    H    LEU  55           H        LEU  55  -0.176 -14.215  -0.396
  456    HA   LEU  55           HA       LEU  55  -1.733 -16.500  -0.972
  457    HB2  LEU  55           2HB      LEU  55  -1.428 -13.920  -2.513
  458    HB3  LEU  55           3HB      LEU  55  -2.653 -15.132  -2.831
  459    HG   LEU  55           HG       LEU  55  -2.387 -13.541  -0.283
  460   HD11  LEU  55          1HD1      LEU  55  -4.469 -12.469  -1.021
  461   HD12  LEU  55          2HD1      LEU  55  -4.367 -13.351  -2.545
  462   HD13  LEU  55          3HD1      LEU  55  -3.132 -12.161  -2.130
  463   HD21  LEU  55          3HD2      LEU  55  -4.470 -15.538  -1.160
  464   HD22  LEU  55          1HD2      LEU  55  -4.564 -14.528   0.282
  465   HD23  LEU  55          2HD2      LEU  55  -3.299 -15.747   0.143
  466    H    GLU  56           H        GLU  56   0.709 -14.772  -2.874
  467    HA   GLU  56           HA       GLU  56   2.109 -15.373  -4.535
  468    HB2  GLU  56           2HB      GLU  56   1.531 -18.188  -3.600
  469    HB3  GLU  56           3HB      GLU  56   2.792 -17.749  -4.742
  470    HG2  GLU  56           2HG      GLU  56   3.796 -16.311  -2.973
  471    HG3  GLU  56           3HG      GLU  56   2.601 -16.957  -1.850
  472    H    HIS  57           H        HIS  57  -0.298 -17.988  -4.627
  473    HA   HIS  57           HA       HIS  57  -0.727 -17.399  -7.473
  474    HB2  HIS  57           2HB      HIS  57  -1.770 -19.683  -7.537
  475    HB3  HIS  57           3HB      HIS  57  -0.064 -19.683  -7.115
  476    HD1  HIS  57           HD1      HIS  57   0.593 -20.798  -4.980
  477    HD2  HIS  57           HD2      HIS  57  -3.516 -20.176  -5.250
  478    HE1  HIS  57           HE1      HIS  57  -0.413 -22.033  -3.033
  479    HE2  HIS  57           HE2      HIS  57  -2.882 -21.545  -3.143
  480    H    HIS  58           H        HIS  58  -2.816 -17.133  -8.295
  481    HA   HIS  58           HA       HIS  58  -4.721 -15.956  -6.582
  482    HB2  HIS  58           2HB      HIS  58  -6.288 -16.139  -8.556
  483    HB3  HIS  58           3HB      HIS  58  -4.786 -15.282  -8.856
  484    HD1  HIS  58           HD1      HIS  58  -3.250 -16.197 -10.657
  485    HD2  HIS  58           HD2      HIS  58  -6.507 -18.664  -9.873
  486    HE1  HIS  58           HE1      HIS  58  -3.274 -17.901 -12.505
  487    HE2  HIS  58           HE2      HIS  58  -5.361 -19.258 -12.110
  488    H    HIS  59           H        HIS  59  -5.735 -16.977  -5.034
  489    HA   HIS  59           HA       HIS  59  -5.891 -19.788  -4.894
  490    HB2  HIS  59           2HB      HIS  59  -5.719 -18.246  -2.937
  491    HB3  HIS  59           3HB      HIS  59  -7.393 -17.776  -3.208
  492    HD1  HIS  59           HD1      HIS  59  -5.273 -20.524  -1.841
  493    HD2  HIS  59           HD2      HIS  59  -9.304 -19.683  -2.424
  494    HE1  HIS  59           HE1      HIS  59  -6.524 -22.226  -0.487
  495    HE2  HIS  59           HE2      HIS  59  -8.929 -21.506  -0.628
  496    H    HIS  60           H        HIS  60  -8.671 -17.526  -4.780
  497    HA   HIS  60           HA       HIS  60 -10.243 -19.673  -6.051
  498    HB2  HIS  60           2HB      HIS  60 -10.850 -18.882  -3.692
  499    HB3  HIS  60           3HB      HIS  60 -11.373 -17.380  -4.444
  500    HD1  HIS  60           HD1      HIS  60 -12.523 -20.712  -3.570
  501    HD2  HIS  60           HD2      HIS  60 -13.571 -17.800  -6.348
  502    HE1  HIS  60           HE1      HIS  60 -14.830 -21.326  -4.363
  503    HE2  HIS  60           HE2      HIS  60 -15.342 -19.677  -6.197
  504    H    HIS  61           H        HIS  61  -9.689 -16.192  -5.969
  505    HA   HIS  61           HA       HIS  61  -9.903 -14.544  -7.508
  506    HB2  HIS  61           2HB      HIS  61  -8.820 -16.129  -9.080
  507    HB3  HIS  61           3HB      HIS  61 -10.407 -16.747  -9.523
  508    HD1  HIS  61           HD1      HIS  61  -8.251 -13.666  -9.842
  509    HD2  HIS  61           HD2      HIS  61 -11.769 -15.246 -11.412
  510    HE1  HIS  61           HE1      HIS  61  -8.870 -12.172 -11.773
  511    HE2  HIS  61           HE2      HIS  61 -10.948 -13.199 -12.769
  512    H    HIS  62           H        HIS  62 -12.294 -16.967  -8.604
  513    HA   HIS  62           HA       HIS  62 -14.487 -15.477  -7.542
  514    HB2  HIS  62           2HB      HIS  62 -13.873 -14.223  -9.688
  515    HB3  HIS  62           3HB      HIS  62 -14.408 -15.660 -10.555
  516    HD1  HIS  62           HD1      HIS  62 -16.956 -16.334  -8.975
  517    HD2  HIS  62           HD2      HIS  62 -15.907 -12.485 -10.152
  518    HE1  HIS  62           HE1      HIS  62 -19.100 -15.024  -8.994
  519    HE2  HIS  62           HE2      HIS  62 -18.445 -12.687  -9.673
  Start of MODEL   16
    1    H1   MET   1           1H       MET   1  -8.035  10.895  -8.368
    2    H2   MET   1           2H       MET   1  -9.717  11.091  -8.342
    3    H3   MET   1           3H       MET   1  -9.053   9.553  -8.580
    4    HA   MET   1           HA       MET   1  -8.845  11.194  -6.128
    5    HB2  MET   1           2HB      MET   1 -10.479   8.767  -6.845
    6    HB3  MET   1           3HB      MET   1 -10.102   9.161  -5.175
    7    HG2  MET   1           2HG      MET   1 -12.287   9.988  -5.733
    8    HG3  MET   1           3HG      MET   1 -11.192  11.341  -5.460
    9    HE1  MET   1           3HE      MET   1 -13.986  11.730  -6.824
   10    HE2  MET   1           1HE      MET   1 -13.579  12.769  -8.189
   11    HE3  MET   1           2HE      MET   1 -12.830  13.048  -6.617
   12    H    ASN   2           H        ASN   2  -7.376  10.625  -4.698
   13    HA   ASN   2           HA       ASN   2  -6.196   8.017  -4.536
   14    HB2  ASN   2           2HB      ASN   2  -3.899   8.651  -5.062
   15    HB3  ASN   2           3HB      ASN   2  -4.920   8.940  -6.464
   16   HD21  ASN   2          1HD2      ASN   2  -2.895  10.348  -4.059
   17   HD22  ASN   2          2HD2      ASN   2  -2.907  11.960  -4.696
   18    H    LEU   3           H        LEU   3  -5.006   7.801  -2.577
   19    HA   LEU   3           HA       LEU   3  -5.691   9.897  -0.674
   20    HB2  LEU   3           2HB      LEU   3  -4.542   7.137  -0.317
   21    HB3  LEU   3           3HB      LEU   3  -4.787   8.254   1.012
   22    HG   LEU   3           HG       LEU   3  -6.922   7.065  -0.757
   23   HD11  LEU   3          1HD1      LEU   3  -6.283   6.735   2.168
   24   HD12  LEU   3          2HD1      LEU   3  -6.073   5.524   0.903
   25   HD13  LEU   3          3HD1      LEU   3  -7.694   6.063   1.351
   26   HD21  LEU   3          3HD2      LEU   3  -7.460   9.385  -0.199
   27   HD22  LEU   3          1HD2      LEU   3  -7.195   9.036   1.510
   28   HD23  LEU   3          2HD2      LEU   3  -8.522   8.258   0.645
   29    H    ARG   4           H        ARG   4  -3.888  10.022   1.185
   30    HA   ARG   4           HA       ARG   4  -1.669  11.333  -0.149
   31    HB2  ARG   4           2HB      ARG   4  -2.378  11.170   2.786
   32    HB3  ARG   4           3HB      ARG   4  -1.109  12.177   2.096
   33    HG2  ARG   4           2HG      ARG   4  -2.758  13.442   0.848
   34    HG3  ARG   4           3HG      ARG   4  -4.046  12.410   1.476
   35    HD2  ARG   4           2HD      ARG   4  -3.390  13.128   3.776
   36    HD3  ARG   4           3HD      ARG   4  -2.277  14.282   3.043
   37    HE   ARG   4           HE       ARG   4  -4.535  14.978   1.844
   38   HH11  ARG   4          1HH1      ARG   4  -3.835  14.342   5.217
   39   HH12  ARG   4          2HH1      ARG   4  -5.164  15.301   5.809
   40   HH21  ARG   4          1HH2      ARG   4  -6.269  16.255   2.609
   41   HH22  ARG   4          2HH2      ARG   4  -6.572  16.362   4.320
   42    H    TRP   5           H        TRP   5   0.103  10.287  -0.596
   43    HA   TRP   5           HA       TRP   5   0.706   7.827   0.866
   44    HB2  TRP   5           2HB      TRP   5   1.631   8.869  -1.812
   45    HB3  TRP   5           3HB      TRP   5   2.364   7.472  -1.035
   46    HD1  TRP   5           HD1      TRP   5  -1.166   8.566  -2.238
   47    HE1  TRP   5           HE1      TRP   5  -2.410   6.455  -3.041
   48    HE3  TRP   5           HE3      TRP   5   2.388   5.076  -1.101
   49    HZ2  TRP   5           HZ2      TRP   5  -1.916   3.673  -3.192
   50    HZ3  TRP   5           HZ3      TRP   5   1.932   2.712  -1.612
   51    HH2  TRP   5           HH2      TRP   5  -0.181   2.027  -2.634
   52    H    THR   6           H        THR   6   2.220   7.825   2.360
   53    HA   THR   6           HA       THR   6   3.945  10.033   2.815
   54    HB   THR   6           HB       THR   6   5.122   8.403   4.390
   55    HG1  THR   6           HG1      THR   6   2.876   6.727   4.061
   56   HG21  THR   6          3HG2      THR   6   2.143   8.808   4.716
   57   HG22  THR   6          1HG2      THR   6   3.405   9.950   5.184
   58   HG23  THR   6          2HG2      THR   6   3.270   8.400   6.012
   59    H    SER   7           H        SER   7   6.278  10.037   2.614
   60    HA   SER   7           HA       SER   7   7.095   9.304   0.041
   61    HB2  SER   7           2HB      SER   7   8.071  11.135   1.506
   62    HB3  SER   7           3HB      SER   7   8.958   9.871   2.355
   63    HG   SER   7           HG       SER   7  10.265  10.707   0.742
   64    H    GLU   8           H        GLU   8   7.483   7.707   3.152
   65    HA   GLU   8           HA       GLU   8   9.232   5.661   2.225
   66    HB2  GLU   8           2HB      GLU   8   7.367   5.713   4.602
   67    HB3  GLU   8           3HB      GLU   8   8.612   4.502   4.322
   68    HG2  GLU   8           2HG      GLU   8  10.338   6.183   4.475
   69    HG3  GLU   8           3HG      GLU   8   9.121   7.449   4.648
   70    H    ALA   9           H        ALA   9   5.731   5.987   2.423
   71    HA   ALA   9           HA       ALA   9   5.108   3.307   1.723
   72    HB1  ALA   9           3HB      ALA   9   2.874   4.143   1.224
   73    HB2  ALA   9           1HB      ALA   9   3.468   5.804   1.290
   74    HB3  ALA   9           2HB      ALA   9   3.465   4.808   2.746
   75    H    LYS  10           H        LYS  10   5.446   6.285  -0.171
   76    HA   LYS  10           HA       LYS  10   4.946   5.250  -2.709
   77    HB2  LYS  10           2HB      LYS  10   6.897   7.416  -1.896
   78    HB3  LYS  10           3HB      LYS  10   6.324   7.133  -3.535
   79    HG2  LYS  10           2HG      LYS  10   4.114   7.774  -2.975
   80    HG3  LYS  10           3HG      LYS  10   4.475   7.759  -1.249
   81    HD2  LYS  10           2HD      LYS  10   4.388  10.037  -2.027
   82    HD3  LYS  10           3HD      LYS  10   6.050   9.631  -1.602
   83    HE2  LYS  10           2HE      LYS  10   6.495   9.191  -4.007
   84    HE3  LYS  10           3HE      LYS  10   4.863   9.756  -4.369
   85    HZ1  LYS  10           3HZ      LYS  10   6.997  11.360  -3.066
   86    HZ2  LYS  10           1HZ      LYS  10   5.429  11.904  -3.420
   87    HZ3  LYS  10           2HZ      LYS  10   6.496  11.510  -4.680
   88    H    THR  11           H        THR  11   7.954   5.336  -0.842
   89    HA   THR  11           HA       THR  11   9.645   4.183  -2.766
   90    HB   THR  11           HB       THR  11   9.833   3.859   0.240
   91    HG1  THR  11           HG1      THR  11   9.703   6.070  -0.320
   92   HG21  THR  11          3HG2      THR  11  11.337   2.402  -1.050
   93   HG22  THR  11          1HG2      THR  11  12.227   3.636  -0.160
   94   HG23  THR  11          2HG2      THR  11  11.970   3.815  -1.895
   95    H    LYS  12           H        LYS  12   7.760   2.697  -0.143
   96    HA   LYS  12           HA       LYS  12   8.397   0.020  -0.629
   97    HB2  LYS  12           2HB      LYS  12   6.077   1.418   0.636
   98    HB3  LYS  12           3HB      LYS  12   5.988  -0.314   0.359
   99    HG2  LYS  12           2HG      LYS  12   8.240   0.978   1.870
  100    HG3  LYS  12           3HG      LYS  12   6.753   0.419   2.642
  101    HD2  LYS  12           2HD      LYS  12   7.204  -1.832   1.576
  102    HD3  LYS  12           3HD      LYS  12   8.803  -1.212   1.156
  103    HE2  LYS  12           2HE      LYS  12   9.324  -0.854   3.481
  104    HE3  LYS  12           3HE      LYS  12   7.689  -1.309   3.956
  105    HZ1  LYS  12           3HZ      LYS  12   9.759  -3.076   2.772
  106    HZ2  LYS  12           1HZ      LYS  12   8.143  -3.545   3.010
  107    HZ3  LYS  12           2HZ      LYS  12   9.120  -3.149   4.339
  108    H    LEU  13           H        LEU  13   5.856   2.052  -2.002
  109    HA   LEU  13           HA       LEU  13   4.433   0.066  -3.374
  110    HB2  LEU  13           2HB      LEU  13   3.623   2.378  -2.974
  111    HB3  LEU  13           3HB      LEU  13   4.786   2.967  -4.150
  112    HG   LEU  13           HG       LEU  13   3.643   1.661  -5.912
  113   HD11  LEU  13          1HD1      LEU  13   1.458   0.679  -5.466
  114   HD12  LEU  13          2HD1      LEU  13   1.621   1.070  -3.754
  115   HD13  LEU  13          3HD1      LEU  13   2.710  -0.102  -4.498
  116   HD21  LEU  13          3HD2      LEU  13   1.846   3.529  -4.367
  117   HD22  LEU  13          1HD2      LEU  13   1.646   3.070  -6.058
  118   HD23  LEU  13          2HD2      LEU  13   3.058   4.003  -5.558
  119    H    LYS  14           H        LYS  14   7.304   1.885  -4.241
  120    HA   LYS  14           HA       LYS  14   7.304   1.046  -6.982
  121    HB2  LYS  14           2HB      LYS  14   9.382   2.385  -5.262
  122    HB3  LYS  14           3HB      LYS  14   9.629   2.015  -6.965
  123    HG2  LYS  14           2HG      LYS  14   7.798   3.436  -7.591
  124    HG3  LYS  14           3HG      LYS  14   7.401   3.729  -5.897
  125    HD2  LYS  14           2HD      LYS  14   9.464   4.904  -5.557
  126    HD3  LYS  14           3HD      LYS  14  10.033   4.462  -7.168
  127    HE2  LYS  14           2HE      LYS  14   7.585   6.127  -6.630
  128    HE3  LYS  14           3HE      LYS  14   9.177   6.795  -6.992
  129    HZ1  LYS  14           3HZ      LYS  14   7.764   6.672  -8.962
  130    HZ2  LYS  14           1HZ      LYS  14   7.629   4.990  -8.780
  131    HZ3  LYS  14           2HZ      LYS  14   9.133   5.681  -9.126
  132    H    ASN  15           H        ASN  15   8.327  -0.367  -4.048
  133    HA   ASN  15           HA       ASN  15  10.199  -2.161  -5.368
  134    HB2  ASN  15           2HB      ASN  15   9.422  -1.699  -2.503
  135    HB3  ASN  15           3HB      ASN  15  10.279  -3.167  -2.968
  136   HD21  ASN  15          1HD2      ASN  15  11.116  -0.908  -1.286
  137   HD22  ASN  15          2HD2      ASN  15  12.578  -0.309  -1.999
  138    H    ILE  16           H        ILE  16   6.923  -1.977  -4.928
  139    HA   ILE  16           HA       ILE  16   6.404  -4.812  -4.713
  140    HB   ILE  16           HB       ILE  16   4.558  -2.505  -5.377
  141   HG12  ILE  16          2HG1      ILE  16   4.935  -4.089  -2.822
  142   HG13  ILE  16          3HG1      ILE  16   5.470  -2.432  -3.094
  143   HG21  ILE  16          1HG2      ILE  16   2.720  -4.077  -4.945
  144   HG22  ILE  16          2HG2      ILE  16   3.892  -5.383  -4.765
  145   HG23  ILE  16          3HG2      ILE  16   3.702  -4.579  -6.323
  146   HD11  ILE  16          3HD1      ILE  16   2.620  -3.391  -3.062
  147   HD12  ILE  16          1HD1      ILE  16   3.144  -1.733  -3.361
  148   HD13  ILE  16          2HD1      ILE  16   3.433  -2.482  -1.791
  149    HA   PRO  17           HA       PRO  17   7.081  -5.769  -9.017
  150    HB2  PRO  17           2HB      PRO  17   5.240  -7.864  -9.104
  151    HB3  PRO  17           3HB      PRO  17   6.937  -8.005  -8.639
  152    HG2  PRO  17           2HG      PRO  17   4.513  -7.763  -6.914
  153    HG3  PRO  17           3HG      PRO  17   5.971  -8.741  -6.667
  154    HD2  PRO  17           2HD      PRO  17   5.593  -6.478  -5.313
  155    HD3  PRO  17           3HD      PRO  17   7.206  -6.927  -5.908
  156    H    PHE  18           H        PHE  18   6.109  -5.398 -10.969
  157    HA   PHE  18           HA       PHE  18   4.052  -3.538 -11.107
  158    HB2  PHE  18           2HB      PHE  18   5.674  -3.767 -12.886
  159    HB3  PHE  18           3HB      PHE  18   5.116  -5.398 -13.237
  160    HD1  PHE  18           HD1      PHE  18   4.172  -1.828 -13.361
  161    HD2  PHE  18           HD2      PHE  18   3.278  -5.783 -14.656
  162    HE1  PHE  18           HE1      PHE  18   2.557  -0.928 -14.988
  163    HE2  PHE  18           HE2      PHE  18   1.667  -4.895 -16.284
  164    HZ   PHE  18           HZ       PHE  18   1.303  -2.464 -16.455
  165    H    PHE  19           H        PHE  19   3.942  -7.042 -11.430
  166    HA   PHE  19           HA       PHE  19   1.352  -7.326 -12.424
  167    HB2  PHE  19           2HB      PHE  19   2.911  -9.187 -12.327
  168    HB3  PHE  19           3HB      PHE  19   2.924  -9.131 -10.569
  169    HD1  PHE  19           HD1      PHE  19   0.738  -9.786 -13.495
  170    HD2  PHE  19           HD2      PHE  19   1.372 -10.348  -9.323
  171    HE1  PHE  19           HE1      PHE  19  -1.122 -11.397 -13.433
  172    HE2  PHE  19           HE2      PHE  19  -0.491 -11.953  -9.251
  173    HZ   PHE  19           HZ       PHE  19  -1.738 -12.482 -11.309
  174    H    ALA  20           H        ALA  20   2.465  -6.651  -9.177
  175    HA   ALA  20           HA       ALA  20  -0.282  -6.932  -8.163
  176    HB1  ALA  20           3HB      ALA  20   2.311  -6.795  -6.632
  177    HB2  ALA  20           1HB      ALA  20   1.406  -8.261  -7.004
  178    HB3  ALA  20           2HB      ALA  20   0.706  -7.041  -5.941
  179    H    ARG  21           H        ARG  21   1.701  -4.590  -9.343
  180    HA   ARG  21           HA       ARG  21   1.749  -2.535  -7.494
  181    HB2  ARG  21           2HB      ARG  21   1.778  -2.646 -10.467
  182    HB3  ARG  21           3HB      ARG  21   1.563  -1.081  -9.697
  183    HG2  ARG  21           2HG      ARG  21   3.807  -2.867  -8.861
  184    HG3  ARG  21           3HG      ARG  21   3.939  -1.882 -10.320
  185    HD2  ARG  21           2HD      ARG  21   3.243  -0.793  -7.595
  186    HD3  ARG  21           3HD      ARG  21   4.875  -0.809  -8.266
  187    HE   ARG  21           HE       ARG  21   2.936   0.454  -9.986
  188   HH11  ARG  21          1HH1      ARG  21   5.113   0.949  -7.278
  189   HH12  ARG  21          2HH1      ARG  21   5.276   2.655  -7.570
  190   HH21  ARG  21          1HH2      ARG  21   3.157   2.704 -10.357
  191   HH22  ARG  21          2HH2      ARG  21   4.167   3.650  -9.302
  192    H    SER  22           H        SER  22  -0.705  -2.936 -10.062
  193    HA   SER  22           HA       SER  22  -2.259  -0.743  -9.160
  194    HB2  SER  22           2HB      SER  22  -2.240  -1.728 -11.491
  195    HB3  SER  22           3HB      SER  22  -3.212  -3.054 -10.862
  196    HG   SER  22           HG       SER  22  -3.904  -0.436 -11.425
  197    H    GLN  23           H        GLN  23  -2.370  -4.201  -8.573
  198    HA   GLN  23           HA       GLN  23  -4.882  -4.264  -7.270
  199    HB2  GLN  23           2HB      GLN  23  -3.793  -6.269  -8.212
  200    HB3  GLN  23           3HB      GLN  23  -2.524  -6.142  -7.003
  201    HG2  GLN  23           2HG      GLN  23  -4.237  -6.451  -5.243
  202    HG3  GLN  23           3HG      GLN  23  -5.436  -6.709  -6.509
  203   HE21  GLN  23          1HE2      GLN  23  -2.141  -7.839  -6.733
  204   HE22  GLN  23          2HE2      GLN  23  -2.504  -9.525  -6.602
  205    H    ALA  24           H        ALA  24  -1.551  -3.981  -6.101
  206    HA   ALA  24           HA       ALA  24  -2.194  -4.088  -3.355
  207    HB1  ALA  24           3HB      ALA  24   0.063  -4.530  -4.221
  208    HB2  ALA  24           1HB      ALA  24   0.063  -3.295  -2.963
  209    HB3  ALA  24           2HB      ALA  24   0.216  -2.828  -4.657
  210    H    LYS  25           H        LYS  25  -1.482  -1.313  -5.491
  211    HA   LYS  25           HA       LYS  25  -1.698   0.696  -3.606
  212    HB2  LYS  25           2HB      LYS  25  -0.915   1.154  -5.852
  213    HB3  LYS  25           3HB      LYS  25  -2.487   0.741  -6.525
  214    HG2  LYS  25           2HG      LYS  25  -3.492   2.652  -5.430
  215    HG3  LYS  25           3HG      LYS  25  -1.951   3.041  -4.667
  216    HD2  LYS  25           2HD      LYS  25  -0.949   3.434  -6.850
  217    HD3  LYS  25           3HD      LYS  25  -2.465   2.988  -7.637
  218    HE2  LYS  25           2HE      LYS  25  -2.056   5.315  -5.762
  219    HE3  LYS  25           3HE      LYS  25  -2.206   5.415  -7.515
  220    HZ1  LYS  25           3HZ      LYS  25  -4.288   4.646  -5.543
  221    HZ2  LYS  25           1HZ      LYS  25  -4.445   4.330  -7.204
  222    HZ3  LYS  25           2HZ      LYS  25  -4.316   5.924  -6.660
  223    H    ALA  26           H        ALA  26  -4.265  -0.772  -5.561
  224    HA   ALA  26           HA       ALA  26  -6.404   0.779  -4.711
  225    HB1  ALA  26           3HB      ALA  26  -6.545  -0.838  -6.544
  226    HB2  ALA  26           1HB      ALA  26  -7.824  -1.096  -5.357
  227    HB3  ALA  26           2HB      ALA  26  -6.419  -2.163  -5.387
  228    H    ARG  27           H        ARG  27  -5.171  -2.256  -3.326
  229    HA   ARG  27           HA       ARG  27  -7.085  -2.330  -1.229
  230    HB2  ARG  27           2HB      ARG  27  -5.918  -4.341  -2.072
  231    HB3  ARG  27           3HB      ARG  27  -4.418  -3.746  -1.377
  232    HG2  ARG  27           2HG      ARG  27  -5.398  -3.843   0.853
  233    HG3  ARG  27           3HG      ARG  27  -6.918  -4.412   0.164
  234    HD2  ARG  27           2HD      ARG  27  -5.807  -6.413  -0.665
  235    HD3  ARG  27           3HD      ARG  27  -4.268  -5.837  -0.021
  236    HE   ARG  27           HE       ARG  27  -6.107  -5.891   2.077
  237   HH11  ARG  27          1HH1      ARG  27  -4.605  -8.186  -0.091
  238   HH12  ARG  27          2HH1      ARG  27  -4.588  -9.472   1.073
  239   HH21  ARG  27          1HH2      ARG  27  -6.067  -7.559   3.615
  240   HH22  ARG  27          2HH2      ARG  27  -5.350  -9.094   3.219
  241    H    ILE  28           H        ILE  28  -3.767  -1.122  -1.442
  242    HA   ILE  28           HA       ILE  28  -3.278  -0.705   1.273
  243    HB   ILE  28           HB       ILE  28  -2.312   0.923  -1.084
  244   HG12  ILE  28          2HG1      ILE  28  -0.895  -1.232   0.495
  245   HG13  ILE  28          3HG1      ILE  28  -1.728  -1.522  -1.028
  246   HG21  ILE  28          1HG2      ILE  28  -0.515   1.694   0.409
  247   HG22  ILE  28          2HG2      ILE  28  -1.298   0.870   1.758
  248   HG23  ILE  28          3HG2      ILE  28  -2.107   2.219   0.962
  249   HD11  ILE  28          3HD1      ILE  28   0.602   0.343  -0.645
  250   HD12  ILE  28          1HD1      ILE  28  -0.207  -0.021  -2.170
  251   HD13  ILE  28          2HD1      ILE  28   0.682  -1.285  -1.320
  252    H    GLU  29           H        GLU  29  -4.718   1.486  -1.129
  253    HA   GLU  29           HA       GLU  29  -5.162   3.581   0.731
  254    HB2  GLU  29           2HB      GLU  29  -6.418   3.077  -1.974
  255    HB3  GLU  29           3HB      GLU  29  -6.554   4.578  -1.061
  256    HG2  GLU  29           2HG      GLU  29  -4.125   4.858  -1.167
  257    HG3  GLU  29           3HG      GLU  29  -3.994   3.361  -2.086
  258    H    GLN  30           H        GLN  30  -6.999   0.752  -0.184
  259    HA   GLN  30           HA       GLN  30  -9.414   1.549   1.132
  260    HB2  GLN  30           2HB      GLN  30  -8.375  -1.221   0.496
  261    HB3  GLN  30           3HB      GLN  30  -9.998  -0.859   1.061
  262    HG2  GLN  30           2HG      GLN  30 -10.409   0.447  -0.963
  263    HG3  GLN  30           3HG      GLN  30  -8.779   0.072  -1.527
  264   HE21  GLN  30          1HE2      GLN  30  -8.993  -2.655  -0.357
  265   HE22  GLN  30          2HE2      GLN  30  -9.969  -3.551  -1.471
  266    H    LEU  31           H        LEU  31  -6.510  -0.207   2.065
  267    HA   LEU  31           HA       LEU  31  -7.286  -0.934   4.665
  268    HB2  LEU  31           2HB      LEU  31  -4.565  -0.327   3.509
  269    HB3  LEU  31           3HB      LEU  31  -4.811  -0.978   5.118
  270    HG   LEU  31           HG       LEU  31  -5.763  -2.376   2.620
  271   HD11  LEU  31          1HD1      LEU  31  -3.794  -3.814   2.847
  272   HD12  LEU  31          2HD1      LEU  31  -3.187  -2.782   4.143
  273   HD13  LEU  31          3HD1      LEU  31  -3.345  -2.146   2.504
  274   HD21  LEU  31          3HD2      LEU  31  -6.900  -3.047   4.652
  275   HD22  LEU  31          1HD2      LEU  31  -5.352  -3.297   5.463
  276   HD23  LEU  31          2HD2      LEU  31  -5.818  -4.332   4.112
  277    H    ALA  32           H        ALA  32  -6.053   2.057   3.326
  278    HA   ALA  32           HA       ALA  32  -5.617   3.366   5.814
  279    HB1  ALA  32           3HB      ALA  32  -4.566   4.169   3.780
  280    HB2  ALA  32           1HB      ALA  32  -5.569   5.432   4.492
  281    HB3  ALA  32           2HB      ALA  32  -6.144   4.537   3.085
  282    H    ARG  33           H        ARG  33  -8.364   3.121   3.607
  283    HA   ARG  33           HA       ARG  33 -10.115   4.826   5.026
  284    HB2  ARG  33           2HB      ARG  33 -10.900   2.349   3.480
  285    HB3  ARG  33           3HB      ARG  33 -11.905   3.749   3.824
  286    HG2  ARG  33           2HG      ARG  33 -10.540   5.122   2.367
  287    HG3  ARG  33           3HG      ARG  33  -9.460   3.758   2.064
  288    HD2  ARG  33           2HD      ARG  33 -11.514   2.519   1.226
  289    HD3  ARG  33           3HD      ARG  33 -12.335   4.078   1.250
  290    HE   ARG  33           HE       ARG  33  -9.847   3.849  -0.271
  291   HH11  ARG  33          1HH1      ARG  33 -13.320   4.178  -0.199
  292   HH12  ARG  33          2HH1      ARG  33 -13.459   4.556  -1.893
  293   HH21  ARG  33          1HH2      ARG  33 -10.002   4.303  -2.508
  294   HH22  ARG  33          2HH2      ARG  33 -11.562   4.589  -3.220
  295    H    GLN  34           H        GLN  34  -9.290   1.434   5.297
  296    HA   GLN  34           HA       GLN  34 -11.159   0.726   7.291
  297    HB2  GLN  34           2HB      GLN  34  -9.815  -0.827   5.829
  298    HB3  GLN  34           3HB      GLN  34  -8.422  -0.474   6.839
  299    HG2  GLN  34           2HG      GLN  34  -9.576  -1.410   8.770
  300    HG3  GLN  34           3HG      GLN  34 -10.989  -1.741   7.769
  301   HE21  GLN  34          1HE2      GLN  34  -9.275  -2.470   5.471
  302   HE22  GLN  34          2HE2      GLN  34  -8.687  -4.060   5.823
  303    H    ALA  35           H        ALA  35  -7.924   2.083   7.403
  304    HA   ALA  35           HA       ALA  35  -7.828   2.068  10.293
  305    HB1  ALA  35           3HB      ALA  35  -5.674   3.160  10.038
  306    HB2  ALA  35           1HB      ALA  35  -5.977   3.394   8.316
  307    HB3  ALA  35           2HB      ALA  35  -5.784   1.764   8.963
  308    H    GLU  36           H        GLU  36  -9.340   3.909   8.013
  309    HA   GLU  36           HA       GLU  36 -10.504   5.837   8.044
  310    HB2  GLU  36           2HB      GLU  36 -10.062   5.630  11.021
  311    HB3  GLU  36           3HB      GLU  36 -11.177   6.751  10.249
  312    HG2  GLU  36           2HG      GLU  36 -12.418   4.851   9.317
  313    HG3  GLU  36           3HG      GLU  36 -11.310   3.748  10.134
  314    H    GLN  37           H        GLN  37  -8.154   6.345   7.113
  315    HA   GLN  37           HA       GLN  37  -7.671   9.036   8.048
  316    HB2  GLN  37           2HB      GLN  37  -5.227   8.735   8.225
  317    HB3  GLN  37           3HB      GLN  37  -6.107   7.820   9.438
  318    HG2  GLN  37           2HG      GLN  37  -5.846   5.802   8.013
  319    HG3  GLN  37           3HG      GLN  37  -4.818   6.753   6.940
  320   HE21  GLN  37          1HE2      GLN  37  -2.982   5.542   7.319
  321   HE22  GLN  37          2HE2      GLN  37  -2.151   5.544   8.840
  322    H    ASP  38           H        ASP  38  -6.395  10.296   6.544
  323    HA   ASP  38           HA       ASP  38  -7.023   9.542   3.810
  324    HB2  ASP  38           2HB      ASP  38  -5.702  12.041   4.913
  325    HB3  ASP  38           3HB      ASP  38  -6.226  11.819   3.251
  326    H    ILE  39           H        ILE  39  -4.461   9.120   5.881
  327    HA   ILE  39           HA       ILE  39  -2.408   9.353   3.794
  328    HB   ILE  39           HB       ILE  39  -2.016   9.112   6.782
  329   HG12  ILE  39          2HG1      ILE  39  -1.825  11.603   5.076
  330   HG13  ILE  39          3HG1      ILE  39  -3.208  11.208   6.095
  331   HG21  ILE  39          1HG2      ILE  39  -0.113   8.359   5.481
  332   HG22  ILE  39          2HG2      ILE  39   0.262   9.884   6.283
  333   HG23  ILE  39          3HG2      ILE  39  -0.122   9.865   4.560
  334   HD11  ILE  39          3HD1      ILE  39  -1.759  11.261   8.062
  335   HD12  ILE  39          1HD1      ILE  39  -1.742  12.794   7.189
  336   HD13  ILE  39          2HD1      ILE  39  -0.387  11.675   7.033
  337    H    VAL  40           H        VAL  40  -1.258   7.593   3.152
  338    HA   VAL  40           HA       VAL  40  -1.822   5.059   4.531
  339    HB   VAL  40           HB       VAL  40  -1.087   3.880   2.577
  340   HG11  VAL  40          1HG1      VAL  40  -2.696   4.661   0.891
  341   HG12  VAL  40          2HG1      VAL  40  -2.898   6.160   1.800
  342   HG13  VAL  40          3HG1      VAL  40  -3.382   4.624   2.513
  343   HG21  VAL  40          3HG2      VAL  40  -0.275   4.958   0.571
  344   HG22  VAL  40          1HG2      VAL  40   0.756   5.372   1.942
  345   HG23  VAL  40          2HG2      VAL  40  -0.422   6.537   1.336
  346    H    THR  41           H        THR  41  -0.233   3.997   5.566
  347    HA   THR  41           HA       THR  41   2.404   5.260   5.600
  348    HB   THR  41           HB       THR  41   2.684   3.666   7.624
  349    HG1  THR  41           HG1      THR  41   0.675   3.076   8.569
  350   HG21  THR  41          3HG2      THR  41   1.567   5.273   9.112
  351   HG22  THR  41          1HG2      THR  41   0.714   5.957   7.727
  352   HG23  THR  41          2HG2      THR  41   2.468   6.090   7.836
  353    HA   PRO  42           HA       PRO  42   4.425   2.023   3.421
  354    HB2  PRO  42           2HB      PRO  42   6.549   1.488   5.145
  355    HB3  PRO  42           3HB      PRO  42   6.527   2.731   3.893
  356    HG2  PRO  42           2HG      PRO  42   6.054   2.982   6.822
  357    HG3  PRO  42           3HG      PRO  42   6.848   4.110   5.709
  358    HD2  PRO  42           2HD      PRO  42   4.350   4.520   6.620
  359    HD3  PRO  42           3HD      PRO  42   4.843   4.994   4.979
  360    H    GLU  43           H        GLU  43   3.693   1.543   6.825
  361    HA   GLU  43           HA       GLU  43   4.035  -1.223   6.993
  362    HB2  GLU  43           2HB      GLU  43   1.895   0.449   8.329
  363    HB3  GLU  43           3HB      GLU  43   2.338  -1.188   8.783
  364    HG2  GLU  43           2HG      GLU  43   3.425   0.127  10.343
  365    HG3  GLU  43           3HG      GLU  43   4.684  -0.246   9.170
  366    H    LEU  44           H        LEU  44   1.212   0.658   5.951
  367    HA   LEU  44           HA       LEU  44  -0.437  -1.598   5.463
  368    HB2  LEU  44           2HB      LEU  44  -0.563   1.297   4.736
  369    HB3  LEU  44           3HB      LEU  44  -1.647   0.170   3.946
  370    HG   LEU  44           HG       LEU  44  -2.526  -0.501   6.167
  371   HD11  LEU  44          1HD1      LEU  44  -0.548   0.063   7.503
  372   HD12  LEU  44          2HD1      LEU  44  -2.015   0.811   8.135
  373   HD13  LEU  44          3HD1      LEU  44  -0.855   1.774   7.217
  374   HD21  LEU  44          3HD2      LEU  44  -3.792   1.544   6.582
  375   HD22  LEU  44          1HD2      LEU  44  -3.669   1.200   4.860
  376   HD23  LEU  44          2HD2      LEU  44  -2.654   2.451   5.582
  377    H    VAL  45           H        VAL  45   1.767   0.277   3.464
  378    HA   VAL  45           HA       VAL  45   1.168  -0.968   1.000
  379    HB   VAL  45           HB       VAL  45   3.862   0.106   1.856
  380   HG11  VAL  45          1HG1      VAL  45   2.600  -0.261  -0.860
  381   HG12  VAL  45          2HG1      VAL  45   3.948  -1.185  -0.193
  382   HG13  VAL  45          3HG1      VAL  45   4.147   0.529  -0.555
  383   HG21  VAL  45          3HG2      VAL  45   3.134   2.230   0.856
  384   HG22  VAL  45          1HG2      VAL  45   2.157   1.785   2.255
  385   HG23  VAL  45          2HG2      VAL  45   1.520   1.556   0.626
  386    H    GLU  46           H        GLU  46   3.544  -1.681   3.524
  387    HA   GLU  46           HA       GLU  46   4.674  -3.978   2.383
  388    HB2  GLU  46           2HB      GLU  46   5.668  -2.827   4.300
  389    HB3  GLU  46           3HB      GLU  46   4.279  -3.237   5.293
  390    HG2  GLU  46           2HG      GLU  46   5.988  -4.720   5.909
  391    HG3  GLU  46           3HG      GLU  46   4.865  -5.653   4.924
  392    H    GLN  47           H        GLN  47   1.990  -3.615   4.691
  393    HA   GLN  47           HA       GLN  47   1.356  -6.262   5.098
  394    HB2  GLN  47           2HB      GLN  47  -0.363  -3.795   5.042
  395    HB3  GLN  47           3HB      GLN  47  -1.032  -5.376   5.415
  396    HG2  GLN  47           2HG      GLN  47   1.180  -4.003   6.916
  397    HG3  GLN  47           3HG      GLN  47  -0.505  -4.118   7.426
  398   HE21  GLN  47          1HE2      GLN  47  -0.766  -6.854   6.413
  399   HE22  GLN  47          2HE2      GLN  47   0.065  -7.863   7.549
  400    H    ALA  48           H        ALA  48  -0.073  -4.104   2.643
  401    HA   ALA  48           HA       ALA  48  -1.679  -6.032   1.419
  402    HB1  ALA  48           3HB      ALA  48  -1.888  -3.620   1.008
  403    HB2  ALA  48           1HB      ALA  48  -1.768  -4.543  -0.493
  404    HB3  ALA  48           2HB      ALA  48  -0.370  -3.655   0.111
  405    H    ARG  49           H        ARG  49   1.701  -5.209   0.978
  406    HA   ARG  49           HA       ARG  49   2.148  -6.660  -1.409
  407    HB2  ARG  49           2HB      ARG  49   3.639  -4.896  -0.712
  408    HB3  ARG  49           3HB      ARG  49   4.010  -5.745   0.779
  409    HG2  ARG  49           2HG      ARG  49   5.035  -7.554  -0.572
  410    HG3  ARG  49           3HG      ARG  49   4.775  -6.559  -2.011
  411    HD2  ARG  49           2HD      ARG  49   6.244  -4.888  -1.251
  412    HD3  ARG  49           3HD      ARG  49   6.240  -5.529   0.391
  413    HE   ARG  49           HE       ARG  49   7.597  -6.771  -1.919
  414   HH11  ARG  49          1HH1      ARG  49   7.305  -6.188   1.527
  415   HH12  ARG  49          2HH1      ARG  49   8.652  -7.207   1.942
  416   HH21  ARG  49          1HH2      ARG  49   9.377  -8.094  -1.376
  417   HH22  ARG  49          2HH2      ARG  49   9.811  -8.313   0.292
  418    H    LEU  50           H        LEU  50   2.667  -7.419   2.015
  419    HA   LEU  50           HA       LEU  50   3.729 -10.007   1.485
  420    HB2  LEU  50           2HB      LEU  50   3.267  -8.353   3.796
  421    HB3  LEU  50           3HB      LEU  50   2.759 -10.005   4.107
  422    HG   LEU  50           HG       LEU  50   5.083  -9.651   4.783
  423   HD11  LEU  50          1HD1      LEU  50   6.081 -11.519   3.525
  424   HD12  LEU  50          2HD1      LEU  50   4.756 -11.419   2.360
  425   HD13  LEU  50          3HD1      LEU  50   4.427 -11.863   4.036
  426   HD21  LEU  50          3HD2      LEU  50   5.576  -9.075   1.863
  427   HD22  LEU  50          1HD2      LEU  50   6.803  -9.200   3.125
  428   HD23  LEU  50          2HD2      LEU  50   5.628  -7.884   3.166
  429    H    GLU  51           H        GLU  51   0.517  -8.787   2.214
  430    HA   GLU  51           HA       GLU  51  -0.837 -11.160   2.692
  431    HB2  GLU  51           2HB      GLU  51  -1.667  -8.634   1.274
  432    HB3  GLU  51           3HB      GLU  51  -2.784  -9.970   1.509
  433    HG2  GLU  51           2HG      GLU  51  -1.323  -8.656   3.778
  434    HG3  GLU  51           3HG      GLU  51  -2.892  -8.101   3.194
  435    H    PHE  52           H        PHE  52  -0.107  -9.617  -0.430
  436    HA   PHE  52           HA       PHE  52  -1.293 -11.741  -1.941
  437    HB2  PHE  52           2HB      PHE  52   0.623  -9.582  -2.847
  438    HB3  PHE  52           3HB      PHE  52  -0.309 -10.636  -3.904
  439    HD1  PHE  52           HD2      PHE  52  -2.931 -10.637  -2.576
  440    HD2  PHE  52           HD1      PHE  52  -0.187  -7.454  -3.256
  441    HE1  PHE  52           HE2      PHE  52  -4.790  -9.026  -2.506
  442    HE2  PHE  52           HE1      PHE  52  -2.040  -5.841  -3.181
  443    HZ   PHE  52           HZ       PHE  52  -4.345  -6.621  -2.806
  444    H    GLY  53           H        GLY  53   1.912 -10.999  -0.761
  445    HA2  GLY  53           2HA      GLY  53   3.340 -12.938  -2.262
  446    HA3  GLY  53           3HA      GLY  53   3.867 -12.202  -0.753
  447    H    GLN  54           H        GLN  54   1.358 -13.151   0.577
  448    HA   GLN  54           HA       GLN  54   2.295 -15.821   1.216
  449    HB2  GLN  54           2HB      GLN  54   0.136 -14.070   2.387
  450    HB3  GLN  54           3HB      GLN  54   0.418 -15.723   2.917
  451    HG2  GLN  54           2HG      GLN  54   2.697 -15.129   3.563
  452    HG3  GLN  54           3HG      GLN  54   2.407 -13.470   3.036
  453   HE21  GLN  54          1HE2      GLN  54   1.611 -15.912   5.398
  454   HE22  GLN  54          2HE2      GLN  54   0.939 -14.824   6.574
  455    H    LEU  55           H        LEU  55  -0.219 -14.304  -0.602
  456    HA   LEU  55           HA       LEU  55  -1.883 -16.632  -0.744
  457    HB2  LEU  55           2HB      LEU  55  -1.844 -14.140  -2.448
  458    HB3  LEU  55           3HB      LEU  55  -3.057 -15.399  -2.549
  459    HG   LEU  55           HG       LEU  55  -2.545 -13.649  -0.143
  460   HD11  LEU  55          1HD1      LEU  55  -3.574 -12.418  -1.968
  461   HD12  LEU  55          2HD1      LEU  55  -4.741 -12.694  -0.676
  462   HD13  LEU  55          3HD1      LEU  55  -4.803 -13.671  -2.142
  463   HD21  LEU  55          3HD2      LEU  55  -4.646 -15.752  -0.641
  464   HD22  LEU  55          1HD2      LEU  55  -4.582 -14.674   0.754
  465   HD23  LEU  55          2HD2      LEU  55  -3.308 -15.867   0.500
  466    H    GLU  56           H        GLU  56  -0.973 -15.070  -3.711
  467    HA   GLU  56           HA       GLU  56  -0.499 -15.981  -5.749
  468    HB2  GLU  56           2HB      GLU  56   1.736 -17.211  -4.135
  469    HB3  GLU  56           3HB      GLU  56   1.713 -17.045  -5.883
  470    HG2  GLU  56           2HG      GLU  56   1.648 -14.601  -5.625
  471    HG3  GLU  56           3HG      GLU  56   1.756 -14.805  -3.875
  472    H    HIS  57           H        HIS  57   0.917 -18.738  -4.164
  473    HA   HIS  57           HA       HIS  57  -0.890 -20.513  -5.610
  474    HB2  HIS  57           2HB      HIS  57   1.544 -21.219  -3.945
  475    HB3  HIS  57           3HB      HIS  57   0.682 -22.282  -5.051
  476    HD1  HIS  57           HD1      HIS  57   3.612 -20.260  -4.880
  477    HD2  HIS  57           HD2      HIS  57   0.849 -21.181  -7.852
  478    HE1  HIS  57           HE1      HIS  57   4.752 -19.722  -7.057
  479    HE2  HIS  57           HE2      HIS  57   3.124 -20.434  -8.846
  480    H    HIS  58           H        HIS  58  -2.784 -20.344  -4.394
  481    HA   HIS  58           HA       HIS  58  -2.624 -20.547  -1.494
  482    HB2  HIS  58           2HB      HIS  58  -4.045 -18.844  -2.710
  483    HB3  HIS  58           3HB      HIS  58  -5.085 -20.170  -3.210
  484    HD1  HIS  58           HD1      HIS  58  -3.738 -18.815   0.111
  485    HD2  HIS  58           HD2      HIS  58  -7.182 -20.467  -1.555
  486    HE1  HIS  58           HE1      HIS  58  -5.462 -18.789   1.940
  487    HE2  HIS  58           HE2      HIS  58  -7.580 -19.616   0.855
  488    H    HIS  59           H        HIS  59  -1.965 -22.888  -3.032
  489    HA   HIS  59           HA       HIS  59  -3.931 -24.694  -1.797
  490    HB2  HIS  59           2HB      HIS  59  -2.749 -24.863  -4.550
  491    HB3  HIS  59           3HB      HIS  59  -3.190 -26.335  -3.694
  492    HD1  HIS  59           HD1      HIS  59  -5.507 -27.095  -4.028
  493    HD2  HIS  59           HD2      HIS  59  -5.081 -23.027  -4.783
  494    HE1  HIS  59           HE1      HIS  59  -7.747 -26.324  -4.874
  495    HE2  HIS  59           HE2      HIS  59  -7.524 -23.819  -5.102
  496    H    HIS  60           H        HIS  60  -0.691 -24.422  -3.170
  497    HA   HIS  60           HA       HIS  60   1.221 -25.571  -2.810
  498    HB2  HIS  60           2HB      HIS  60   2.184 -25.250  -0.572
  499    HB3  HIS  60           3HB      HIS  60   1.452 -23.787  -1.204
  500    HD1  HIS  60           HD1      HIS  60   1.287 -26.191   1.606
  501    HD2  HIS  60           HD2      HIS  60  -0.860 -22.922   0.202
  502    HE1  HIS  60           HE1      HIS  60  -0.202 -25.489   3.508
  503    HE2  HIS  60           HE2      HIS  60  -1.257 -23.346   2.716
  504    H    HIS  61           H        HIS  61   0.006 -27.533  -3.462
  505    HA   HIS  61           HA       HIS  61   0.394 -29.567  -1.378
  506    HB2  HIS  61           2HB      HIS  61  -2.022 -29.230  -1.661
  507    HB3  HIS  61           3HB      HIS  61  -1.869 -29.494  -3.394
  508    HD1  HIS  61           HD1      HIS  61  -1.692 -31.344  -0.102
  509    HD2  HIS  61           HD2      HIS  61  -1.835 -32.140  -4.189
  510    HE1  HIS  61           HE1      HIS  61  -2.066 -33.825  -0.305
  511    HE2  HIS  61           HE2      HIS  61  -1.974 -34.307  -2.776
  512    H    HIS  62           H        HIS  62   1.835 -31.032  -1.970
  513    HA   HIS  62           HA       HIS  62   2.555 -31.195  -4.806
  514    HB2  HIS  62           2HB      HIS  62   4.323 -30.636  -3.107
  515    HB3  HIS  62           3HB      HIS  62   4.103 -32.247  -2.431
  516    HD1  HIS  62           HD1      HIS  62   5.193 -34.204  -3.658
  517    HD2  HIS  62           HD2      HIS  62   5.542 -30.581  -5.677
  518    HE1  HIS  62           HE1      HIS  62   6.858 -34.606  -5.501
  519    HE2  HIS  62           HE2      HIS  62   6.962 -32.439  -6.786
  Start of MODEL   17
    1    H1   MET   1           1H       MET   1 -11.552  11.914  -3.714
    2    H2   MET   1           2H       MET   1 -10.269  12.372  -4.717
    3    H3   MET   1           3H       MET   1 -10.086  12.413  -3.029
    4    HA   MET   1           HA       MET   1 -10.232  10.063  -2.876
    5    HB2  MET   1           2HB      MET   1 -10.784  10.252  -5.832
    6    HB3  MET   1           3HB      MET   1 -10.214   8.764  -5.088
    7    HG2  MET   1           2HG      MET   1 -12.625   8.741  -5.330
    8    HG3  MET   1           3HG      MET   1 -12.168   8.742  -3.627
    9    HE1  MET   1           3HE      MET   1 -15.398  10.796  -3.291
   10    HE2  MET   1           1HE      MET   1 -14.384   9.534  -2.594
   11    HE3  MET   1           2HE      MET   1 -15.093   9.311  -4.190
   12    H    ASN   2           H        ASN   2  -8.526   8.474  -4.056
   13    HA   ASN   2           HA       ASN   2  -6.318   8.024  -4.287
   14    HB2  ASN   2           2HB      ASN   2  -6.398   9.427  -6.317
   15    HB3  ASN   2           3HB      ASN   2  -6.098  10.860  -5.344
   16   HD21  ASN   2          1HD2      ASN   2  -4.734   7.923  -6.628
   17   HD22  ASN   2          2HD2      ASN   2  -3.075   8.353  -6.376
   18    H    LEU   3           H        LEU   3  -5.646   7.707  -2.290
   19    HA   LEU   3           HA       LEU   3  -5.709   9.745  -0.303
   20    HB2  LEU   3           2HB      LEU   3  -4.570   6.958  -0.247
   21    HB3  LEU   3           3HB      LEU   3  -4.715   8.002   1.156
   22    HG   LEU   3           HG       LEU   3  -7.015   6.959  -0.505
   23   HD11  LEU   3          1HD1      LEU   3  -6.122   6.255   2.280
   24   HD12  LEU   3          2HD1      LEU   3  -5.956   5.234   0.852
   25   HD13  LEU   3          3HD1      LEU   3  -7.558   5.645   1.463
   26   HD21  LEU   3          3HD2      LEU   3  -6.992   8.637   2.000
   27   HD22  LEU   3          1HD2      LEU   3  -8.425   7.916   1.266
   28   HD23  LEU   3          2HD2      LEU   3  -7.517   9.153   0.397
   29    H    ARG   4           H        ARG   4  -3.764  10.024   1.183
   30    HA   ARG   4           HA       ARG   4  -1.639  11.087  -0.478
   31    HB2  ARG   4           2HB      ARG   4  -2.559  12.453   1.338
   32    HB3  ARG   4           3HB      ARG   4  -2.086  11.232   2.508
   33    HG2  ARG   4           2HG      ARG   4   0.268  11.601   1.908
   34    HG3  ARG   4           3HG      ARG   4  -0.238  12.879   0.801
   35    HD2  ARG   4           2HD      ARG   4  -1.183  14.137   2.640
   36    HD3  ARG   4           3HD      ARG   4  -0.791  12.834   3.760
   37    HE   ARG   4           HE       ARG   4   1.565  13.656   2.468
   38   HH11  ARG   4          1HH1      ARG   4  -0.783  14.823   4.778
   39   HH12  ARG   4          2HH1      ARG   4   0.344  15.845   5.610
   40   HH21  ARG   4          1HH2      ARG   4   3.054  14.971   3.543
   41   HH22  ARG   4          2HH2      ARG   4   2.550  15.945   4.890
   42    H    TRP   5           H        TRP   5   0.232  10.130  -0.835
   43    HA   TRP   5           HA       TRP   5   0.907   7.768   0.775
   44    HB2  TRP   5           2HB      TRP   5   1.800   8.612  -1.995
   45    HB3  TRP   5           3HB      TRP   5   2.431   7.206  -1.144
   46    HD1  TRP   5           HD1      TRP   5  -1.011   8.512  -2.392
   47    HE1  TRP   5           HE1      TRP   5  -2.423   6.469  -3.085
   48    HE3  TRP   5           HE3      TRP   5   2.255   4.805  -1.098
   49    HZ2  TRP   5           HZ2      TRP   5  -2.169   3.659  -3.093
   50    HZ3  TRP   5           HZ3      TRP   5   1.596   2.466  -1.480
   51    HH2  TRP   5           HH2      TRP   5  -0.570   1.907  -2.454
   52    H    THR   6           H        THR   6   2.620   7.804   2.091
   53    HA   THR   6           HA       THR   6   4.123  10.205   2.431
   54    HB   THR   6           HB       THR   6   5.370   8.966   4.157
   55    HG1  THR   6           HG1      THR   6   4.918   6.791   4.527
   56   HG21  THR   6          3HG2      THR   6   2.389   8.493   4.266
   57   HG22  THR   6          1HG2      THR   6   3.230   9.963   4.765
   58   HG23  THR   6          2HG2      THR   6   3.487   8.457   5.645
   59    H    SER   7           H        SER   7   6.563  10.130   2.542
   60    HA   SER   7           HA       SER   7   7.681   9.528   0.058
   61    HB2  SER   7           2HB      SER   7   9.879   9.657   1.575
   62    HB3  SER   7           3HB      SER   7   8.929  11.092   1.181
   63    HG   SER   7           HG       SER   7   9.029   9.609   3.592
   64    H    GLU   8           H        GLU   8   7.560   7.670   3.045
   65    HA   GLU   8           HA       GLU   8   9.288   5.584   2.141
   66    HB2  GLU   8           2HB      GLU   8   7.202   5.494   4.332
   67    HB3  GLU   8           3HB      GLU   8   8.497   4.334   4.091
   68    HG2  GLU   8           2HG      GLU   8   9.152   5.726   5.873
   69    HG3  GLU   8           3HG      GLU   8  10.115   6.209   4.479
   70    H    ALA   9           H        ALA   9   5.802   6.097   2.231
   71    HA   ALA   9           HA       ALA   9   5.047   3.513   1.387
   72    HB1  ALA   9           3HB      ALA   9   2.873   4.505   0.891
   73    HB2  ALA   9           1HB      ALA   9   3.568   6.117   1.053
   74    HB3  ALA   9           2HB      ALA   9   3.483   5.050   2.454
   75    H    LYS  10           H        LYS  10   5.760   6.489  -0.383
   76    HA   LYS  10           HA       LYS  10   5.054   5.582  -2.944
   77    HB2  LYS  10           2HB      LYS  10   7.104   7.627  -2.076
   78    HB3  LYS  10           3HB      LYS  10   6.654   7.353  -3.752
   79    HG2  LYS  10           2HG      LYS  10   4.395   8.038  -3.318
   80    HG3  LYS  10           3HG      LYS  10   4.719   8.146  -1.589
   81    HD2  LYS  10           2HD      LYS  10   4.728  10.361  -2.539
   82    HD3  LYS  10           3HD      LYS  10   6.368   9.934  -2.052
   83    HE2  LYS  10           2HE      LYS  10   6.966   9.445  -4.337
   84    HE3  LYS  10           3HE      LYS  10   5.304   9.708  -4.865
   85    HZ1  LYS  10           3HZ      LYS  10   7.030  11.791  -3.627
   86    HZ2  LYS  10           1HZ      LYS  10   5.476  12.014  -4.275
   87    HZ3  LYS  10           2HZ      LYS  10   6.775  11.621  -5.297
   88    H    THR  11           H        THR  11   8.165   5.465  -1.219
   89    HA   THR  11           HA       THR  11   9.596   4.129  -3.245
   90    HB   THR  11           HB       THR  11  10.040   3.994  -0.253
   91    HG1  THR  11           HG1      THR  11  11.050   5.793  -2.237
   92   HG21  THR  11          3HG2      THR  11  12.377   3.530  -0.864
   93   HG22  THR  11          1HG2      THR  11  11.922   3.507  -2.569
   94   HG23  THR  11          2HG2      THR  11  11.289   2.282  -1.470
   95    H    LYS  12           H        LYS  12   7.814   2.914  -0.423
   96    HA   LYS  12           HA       LYS  12   8.319   0.192  -0.728
   97    HB2  LYS  12           2HB      LYS  12   6.098   1.763   0.516
   98    HB3  LYS  12           3HB      LYS  12   5.945   0.019   0.381
   99    HG2  LYS  12           2HG      LYS  12   8.274   1.377   1.710
  100    HG3  LYS  12           3HG      LYS  12   6.821   0.851   2.566
  101    HD2  LYS  12           2HD      LYS  12   7.220  -1.449   1.755
  102    HD3  LYS  12           3HD      LYS  12   8.717  -0.896   1.002
  103    HE2  LYS  12           2HE      LYS  12   9.592  -0.257   3.182
  104    HE3  LYS  12           3HE      LYS  12   8.085  -0.761   3.947
  105    HZ1  LYS  12           3HZ      LYS  12   9.800  -2.452   4.151
  106    HZ2  LYS  12           1HZ      LYS  12   9.946  -2.539   2.465
  107    HZ3  LYS  12           2HZ      LYS  12   8.504  -3.024   3.218
  108    H    LEU  13           H        LEU  13   5.715   2.165  -2.119
  109    HA   LEU  13           HA       LEU  13   4.309   0.044  -3.328
  110    HB2  LEU  13           2HB      LEU  13   3.393   2.309  -2.925
  111    HB3  LEU  13           3HB      LEU  13   4.441   2.938  -4.180
  112    HG   LEU  13           HG       LEU  13   3.266   1.492  -5.830
  113   HD11  LEU  13          1HD1      LEU  13   2.473  -0.224  -4.288
  114   HD12  LEU  13          2HD1      LEU  13   1.141   0.476  -5.210
  115   HD13  LEU  13          3HD1      LEU  13   1.395   0.948  -3.529
  116   HD21  LEU  13          3HD2      LEU  13   1.512   3.389  -4.272
  117   HD22  LEU  13          1HD2      LEU  13   1.232   2.846  -5.928
  118   HD23  LEU  13          2HD2      LEU  13   2.645   3.833  -5.549
  119    H    LYS  14           H        LYS  14   7.012   2.001  -4.402
  120    HA   LYS  14           HA       LYS  14   6.944   1.051  -7.105
  121    HB2  LYS  14           2HB      LYS  14   9.078   2.499  -5.535
  122    HB3  LYS  14           3HB      LYS  14   9.190   2.136  -7.252
  123    HG2  LYS  14           2HG      LYS  14   7.281   3.514  -7.721
  124    HG3  LYS  14           3HG      LYS  14   7.008   3.788  -5.999
  125    HD2  LYS  14           2HD      LYS  14   9.182   4.915  -5.848
  126    HD3  LYS  14           3HD      LYS  14   9.426   4.659  -7.578
  127    HE2  LYS  14           2HE      LYS  14   7.447   5.997  -8.062
  128    HE3  LYS  14           3HE      LYS  14   7.178   6.233  -6.335
  129    HZ1  LYS  14           3HZ      LYS  14   8.293   8.125  -7.404
  130    HZ2  LYS  14           1HZ      LYS  14   9.601   7.121  -7.807
  131    HZ3  LYS  14           2HZ      LYS  14   9.241   7.429  -6.176
  132    H    ASN  15           H        ASN  15   8.258  -0.102  -4.135
  133    HA   ASN  15           HA       ASN  15  10.165  -1.882  -5.374
  134    HB2  ASN  15           2HB      ASN  15   9.162  -1.651  -2.533
  135    HB3  ASN  15           3HB      ASN  15  10.329  -2.863  -3.046
  136   HD21  ASN  15          1HD2      ASN  15  10.695  -0.801  -1.092
  137   HD22  ASN  15          2HD2      ASN  15  11.997   0.193  -1.646
  138    H    ILE  16           H        ILE  16   6.855  -1.866  -5.046
  139    HA   ILE  16           HA       ILE  16   6.607  -4.767  -4.932
  140    HB   ILE  16           HB       ILE  16   4.483  -2.627  -5.208
  141   HG12  ILE  16          2HG1      ILE  16   5.567  -4.197  -2.876
  142   HG13  ILE  16          3HG1      ILE  16   5.450  -2.453  -3.059
  143   HG21  ILE  16          1HG2      ILE  16   4.150  -5.585  -4.706
  144   HG22  ILE  16          2HG2      ILE  16   3.792  -4.759  -6.221
  145   HG23  ILE  16          3HG2      ILE  16   2.859  -4.386  -4.773
  146   HD11  ILE  16          3HD1      ILE  16   3.832  -3.270  -1.465
  147   HD12  ILE  16          1HD1      ILE  16   3.153  -4.355  -2.678
  148   HD13  ILE  16          2HD1      ILE  16   3.017  -2.608  -2.883
  149    HA   PRO  17           HA       PRO  17   7.171  -5.490  -9.273
  150    HB2  PRO  17           2HB      PRO  17   4.886  -7.342  -8.695
  151    HB3  PRO  17           3HB      PRO  17   6.366  -7.639  -9.614
  152    HG2  PRO  17           2HG      PRO  17   6.117  -8.503  -7.103
  153    HG3  PRO  17           3HG      PRO  17   7.660  -7.880  -7.715
  154    HD2  PRO  17           2HD      PRO  17   5.758  -6.657  -5.808
  155    HD3  PRO  17           3HD      PRO  17   7.501  -6.394  -5.992
  156    H    PHE  18           H        PHE  18   6.358  -4.617 -11.057
  157    HA   PHE  18           HA       PHE  18   4.452  -2.635 -10.977
  158    HB2  PHE  18           2HB      PHE  18   6.150  -2.849 -12.732
  159    HB3  PHE  18           3HB      PHE  18   5.316  -4.256 -13.381
  160    HD1  PHE  18           HD2      PHE  18   5.115  -0.614 -12.891
  161    HD2  PHE  18           HD1      PHE  18   3.446  -4.018 -14.821
  162    HE1  PHE  18           HE2      PHE  18   3.792   0.865 -14.343
  163    HE2  PHE  18           HE1      PHE  18   2.120  -2.547 -16.277
  164    HZ   PHE  18           HZ       PHE  18   2.290  -0.101 -16.040
  165    H    PHE  19           H        PHE  19   3.994  -5.976 -12.084
  166    HA   PHE  19           HA       PHE  19   1.347  -5.591 -12.984
  167    HB2  PHE  19           2HB      PHE  19   1.220  -8.053 -13.072
  168    HB3  PHE  19           3HB      PHE  19   2.676  -7.430 -13.834
  169    HD1  PHE  19           HD1      PHE  19   4.865  -7.790 -12.810
  170    HD2  PHE  19           HD2      PHE  19   1.321  -9.407 -11.093
  171    HE1  PHE  19           HE1      PHE  19   6.227  -9.322 -11.451
  172    HE2  PHE  19           HE2      PHE  19   2.679 -10.939  -9.727
  173    HZ   PHE  19           HZ       PHE  19   5.134 -10.898  -9.904
  174    H    ALA  20           H        ALA  20   2.618  -5.948  -9.834
  175    HA   ALA  20           HA       ALA  20  -0.033  -6.718  -8.786
  176    HB1  ALA  20           3HB      ALA  20   1.102  -7.516  -6.797
  177    HB2  ALA  20           1HB      ALA  20   2.655  -6.965  -7.432
  178    HB3  ALA  20           2HB      ALA  20   1.788  -8.277  -8.233
  179    H    ARG  21           H        ARG  21   1.853  -4.081  -9.295
  180    HA   ARG  21           HA       ARG  21   1.677  -2.780  -6.763
  181    HB2  ARG  21           2HB      ARG  21   3.445  -2.155  -8.259
  182    HB3  ARG  21           3HB      ARG  21   2.302  -1.740  -9.528
  183    HG2  ARG  21           2HG      ARG  21   1.550   0.175  -8.333
  184    HG3  ARG  21           3HG      ARG  21   2.453  -0.299  -6.893
  185    HD2  ARG  21           2HD      ARG  21   4.523   0.163  -7.906
  186    HD3  ARG  21           3HD      ARG  21   3.808   0.237  -9.519
  187    HE   ARG  21           HE       ARG  21   2.634   2.229  -7.932
  188   HH11  ARG  21          1HH1      ARG  21   5.705   1.464  -9.429
  189   HH12  ARG  21          2HH1      ARG  21   6.194   3.126  -9.560
  190   HH21  ARG  21          1HH2      ARG  21   3.282   4.426  -8.111
  191   HH22  ARG  21          2HH2      ARG  21   4.832   4.791  -8.822
  192    H    SER  22           H        SER  22  -0.211  -2.570  -9.766
  193    HA   SER  22           HA       SER  22  -1.958  -0.534  -8.937
  194    HB2  SER  22           2HB      SER  22  -2.745  -2.844 -10.714
  195    HB3  SER  22           3HB      SER  22  -3.322  -1.174 -10.772
  196    HG   SER  22           HG       SER  22  -1.209  -2.281 -12.010
  197    H    GLN  23           H        GLN  23  -2.138  -4.037  -8.650
  198    HA   GLN  23           HA       GLN  23  -4.641  -4.155  -7.356
  199    HB2  GLN  23           2HB      GLN  23  -3.639  -6.064  -8.515
  200    HB3  GLN  23           3HB      GLN  23  -2.335  -6.109  -7.339
  201    HG2  GLN  23           2HG      GLN  23  -3.802  -6.795  -5.614
  202    HG3  GLN  23           3HG      GLN  23  -5.221  -6.494  -6.614
  203   HE21  GLN  23          1HE2      GLN  23  -2.545  -8.622  -6.003
  204   HE22  GLN  23          2HE2      GLN  23  -3.111  -9.941  -6.962
  205    H    ALA  24           H        ALA  24  -1.329  -3.866  -6.187
  206    HA   ALA  24           HA       ALA  24  -1.913  -4.208  -3.443
  207    HB1  ALA  24           3HB      ALA  24   0.278  -3.221  -3.023
  208    HB2  ALA  24           1HB      ALA  24   0.373  -2.699  -4.706
  209    HB3  ALA  24           2HB      ALA  24   0.357  -4.418  -4.315
  210    H    LYS  25           H        LYS  25  -1.655  -1.330  -5.503
  211    HA   LYS  25           HA       LYS  25  -1.965   0.620  -3.543
  212    HB2  LYS  25           2HB      LYS  25  -1.338   1.068  -5.892
  213    HB3  LYS  25           3HB      LYS  25  -2.982   0.695  -6.391
  214    HG2  LYS  25           2HG      LYS  25  -3.826   2.593  -5.151
  215    HG3  LYS  25           3HG      LYS  25  -2.206   2.938  -4.540
  216    HD2  LYS  25           2HD      LYS  25  -1.426   3.335  -6.819
  217    HD3  LYS  25           3HD      LYS  25  -3.041   2.980  -7.436
  218    HE2  LYS  25           2HE      LYS  25  -2.333   5.219  -5.546
  219    HE3  LYS  25           3HE      LYS  25  -2.611   5.397  -7.277
  220    HZ1  LYS  25           3HZ      LYS  25  -4.849   4.128  -6.418
  221    HZ2  LYS  25           1HZ      LYS  25  -4.709   5.799  -6.677
  222    HZ3  LYS  25           2HZ      LYS  25  -4.501   5.163  -5.119
  223    H    ALA  26           H        ALA  26  -4.417  -1.212  -5.323
  224    HA   ALA  26           HA       ALA  26  -6.683   0.100  -4.279
  225    HB1  ALA  26           3HB      ALA  26  -6.751  -1.390  -6.236
  226    HB2  ALA  26           1HB      ALA  26  -7.941  -1.842  -5.014
  227    HB3  ALA  26           2HB      ALA  26  -6.451  -2.770  -5.180
  228    H    ARG  27           H        ARG  27  -4.885  -2.739  -3.179
  229    HA   ARG  27           HA       ARG  27  -6.477  -3.330  -0.925
  230    HB2  ARG  27           2HB      ARG  27  -4.896  -4.944  -1.831
  231    HB3  ARG  27           3HB      ARG  27  -3.550  -3.870  -1.486
  232    HG2  ARG  27           2HG      ARG  27  -3.316  -5.112   0.353
  233    HG3  ARG  27           3HG      ARG  27  -4.649  -4.145   0.981
  234    HD2  ARG  27           2HD      ARG  27  -4.968  -6.772  -0.458
  235    HD3  ARG  27           3HD      ARG  27  -4.926  -6.598   1.293
  236    HE   ARG  27           HE       ARG  27  -6.993  -5.313  -0.379
  237   HH11  ARG  27          1HH1      ARG  27  -6.039  -7.256   2.389
  238   HH12  ARG  27          2HH1      ARG  27  -7.648  -7.362   3.025
  239   HH21  ARG  27          1HH2      ARG  27  -9.109  -5.446   0.471
  240   HH22  ARG  27          2HH2      ARG  27  -9.399  -6.320   1.945
  241    H    ILE  28           H        ILE  28  -3.544  -1.369  -1.315
  242    HA   ILE  28           HA       ILE  28  -3.122  -0.772   1.391
  243    HB   ILE  28           HB       ILE  28  -2.356   0.840  -1.043
  244   HG12  ILE  28          2HG1      ILE  28  -0.696  -1.068   0.608
  245   HG13  ILE  28          3HG1      ILE  28  -1.515  -1.527  -0.880
  246   HG21  ILE  28          1HG2      ILE  28  -0.659   1.870   0.395
  247   HG22  ILE  28          2HG2      ILE  28  -1.322   1.012   1.787
  248   HG23  ILE  28          3HG2      ILE  28  -2.294   2.226   0.954
  249   HD11  ILE  28          3HD1      ILE  28   0.649   0.539  -0.602
  250   HD12  ILE  28          1HD1      ILE  28  -0.198   0.144  -2.096
  251   HD13  ILE  28          2HD1      ILE  28   0.806  -1.070  -1.305
  252    H    GLU  29           H        GLU  29  -4.775   1.203  -1.107
  253    HA   GLU  29           HA       GLU  29  -5.441   3.277   0.699
  254    HB2  GLU  29           2HB      GLU  29  -6.608   2.508  -1.976
  255    HB3  GLU  29           3HB      GLU  29  -7.138   3.922  -1.072
  256    HG2  GLU  29           2HG      GLU  29  -4.746   4.695  -1.084
  257    HG3  GLU  29           3HG      GLU  29  -4.408   3.383  -2.209
  258    H    GLN  30           H        GLN  30  -6.986   0.252  -0.117
  259    HA   GLN  30           HA       GLN  30  -9.454   0.779   1.197
  260    HB2  GLN  30           2HB      GLN  30  -9.117  -1.060  -0.443
  261    HB3  GLN  30           3HB      GLN  30  -8.095  -1.882   0.726
  262    HG2  GLN  30           2HG      GLN  30  -9.964  -2.128   2.240
  263    HG3  GLN  30           3HG      GLN  30 -11.002  -1.217   1.140
  264   HE21  GLN  30          1HE2      GLN  30  -9.770  -2.458  -1.217
  265   HE22  GLN  30          2HE2      GLN  30 -10.430  -4.053  -1.303
  266    H    LEU  31           H        LEU  31  -6.381  -0.657   2.215
  267    HA   LEU  31           HA       LEU  31  -7.121  -1.279   4.865
  268    HB2  LEU  31           2HB      LEU  31  -4.412  -0.544   3.746
  269    HB3  LEU  31           3HB      LEU  31  -4.690  -1.268   5.319
  270    HG   LEU  31           HG       LEU  31  -5.365  -2.580   2.685
  271   HD11  LEU  31          1HD1      LEU  31  -3.437  -4.011   3.107
  272   HD12  LEU  31          2HD1      LEU  31  -3.047  -3.072   4.548
  273   HD13  LEU  31          3HD1      LEU  31  -2.956  -2.320   2.955
  274   HD21  LEU  31          3HD2      LEU  31  -6.778  -3.310   4.541
  275   HD22  LEU  31          1HD2      LEU  31  -5.341  -3.665   5.499
  276   HD23  LEU  31          2HD2      LEU  31  -5.674  -4.588   4.036
  277    H    ALA  32           H        ALA  32  -5.792   1.634   3.372
  278    HA   ALA  32           HA       ALA  32  -5.470   3.108   5.764
  279    HB1  ALA  32           3HB      ALA  32  -4.382   3.739   3.673
  280    HB2  ALA  32           1HB      ALA  32  -5.328   5.069   4.336
  281    HB3  ALA  32           2HB      ALA  32  -5.950   4.138   2.973
  282    H    ARG  33           H        ARG  33  -8.180   2.755   3.514
  283    HA   ARG  33           HA       ARG  33  -9.914   4.534   4.838
  284    HB2  ARG  33           2HB      ARG  33 -10.326   2.215   2.985
  285    HB3  ARG  33           3HB      ARG  33 -11.699   3.031   3.721
  286    HG2  ARG  33           2HG      ARG  33  -9.593   4.338   2.016
  287    HG3  ARG  33           3HG      ARG  33 -11.217   3.894   1.501
  288    HD2  ARG  33           2HD      ARG  33 -10.384   5.996   3.479
  289    HD3  ARG  33           3HD      ARG  33 -11.351   6.191   2.018
  290    HE   ARG  33           HE       ARG  33 -12.959   4.617   3.397
  291   HH11  ARG  33          1HH1      ARG  33 -11.164   7.446   4.471
  292   HH12  ARG  33          2HH1      ARG  33 -12.251   7.780   5.790
  293   HH21  ARG  33          1HH2      ARG  33 -14.374   5.071   5.146
  294   HH22  ARG  33          2HH2      ARG  33 -14.058   6.446   6.166
  295    H    GLN  34           H        GLN  34  -9.088   1.165   5.396
  296    HA   GLN  34           HA       GLN  34 -11.069   0.613   7.332
  297    HB2  GLN  34           2HB      GLN  34  -9.635  -1.124   6.284
  298    HB3  GLN  34           3HB      GLN  34  -8.259  -0.494   7.181
  299    HG2  GLN  34           2HG      GLN  34  -9.598  -0.954   9.280
  300    HG3  GLN  34           3HG      GLN  34 -10.703  -1.862   8.252
  301   HE21  GLN  34          1HE2      GLN  34  -8.472  -2.742   6.518
  302   HE22  GLN  34          2HE2      GLN  34  -7.654  -3.980   7.413
  303    H    ALA  35           H        ALA  35  -7.825   1.970   7.540
  304    HA   ALA  35           HA       ALA  35  -7.901   2.376  10.371
  305    HB1  ALA  35           3HB      ALA  35  -5.865   3.670  10.034
  306    HB2  ALA  35           1HB      ALA  35  -6.133   3.660   8.292
  307    HB3  ALA  35           2HB      ALA  35  -5.792   2.152   9.139
  308    H    GLU  36           H        GLU  36  -9.317   3.904   7.744
  309    HA   GLU  36           HA       GLU  36 -10.678   5.682   7.505
  310    HB2  GLU  36           2HB      GLU  36 -10.556   5.729  10.523
  311    HB3  GLU  36           3HB      GLU  36 -11.672   6.678   9.552
  312    HG2  GLU  36           2HG      GLU  36 -12.646   4.624   8.656
  313    HG3  GLU  36           3HG      GLU  36 -11.527   3.675   9.630
  314    H    GLN  37           H        GLN  37  -7.936   6.075   7.221
  315    HA   GLN  37           HA       GLN  37  -7.756   8.919   7.937
  316    HB2  GLN  37           2HB      GLN  37  -5.349   8.696   8.259
  317    HB3  GLN  37           3HB      GLN  37  -6.217   7.640   9.363
  318    HG2  GLN  37           2HG      GLN  37  -5.801   5.779   7.711
  319    HG3  GLN  37           3HG      GLN  37  -4.700   6.882   6.886
  320   HE21  GLN  37          1HE2      GLN  37  -2.865   5.702   7.295
  321   HE22  GLN  37          2HE2      GLN  37  -2.195   5.520   8.879
  322    H    ASP  38           H        ASP  38  -6.143  10.077   6.473
  323    HA   ASP  38           HA       ASP  38  -6.765   9.229   3.726
  324    HB2  ASP  38           2HB      ASP  38  -6.045  11.879   4.951
  325    HB3  ASP  38           3HB      ASP  38  -5.948  11.622   3.216
  326    H    ILE  39           H        ILE  39  -4.210   9.234   5.888
  327    HA   ILE  39           HA       ILE  39  -2.188   9.420   3.755
  328    HB   ILE  39           HB       ILE  39  -1.747   9.452   6.748
  329   HG12  ILE  39          2HG1      ILE  39  -1.784  11.802   4.845
  330   HG13  ILE  39          3HG1      ILE  39  -3.115  11.380   5.917
  331   HG21  ILE  39          1HG2      ILE  39   0.189   8.739   5.457
  332   HG22  ILE  39          2HG2      ILE  39   0.462  10.337   6.153
  333   HG23  ILE  39          3HG2      ILE  39   0.060  10.177   4.443
  334   HD11  ILE  39          3HD1      ILE  39  -0.337  12.145   6.779
  335   HD12  ILE  39          1HD1      ILE  39  -1.680  11.742   7.849
  336   HD13  ILE  39          2HD1      ILE  39  -1.762  13.179   6.832
  337    H    VAL  40           H        VAL  40  -1.254   7.595   3.061
  338    HA   VAL  40           HA       VAL  40  -1.720   5.151   4.591
  339    HB   VAL  40           HB       VAL  40  -1.024   3.898   2.678
  340   HG11  VAL  40          1HG1      VAL  40  -3.291   4.758   2.575
  341   HG12  VAL  40          2HG1      VAL  40  -2.593   4.664   0.961
  342   HG13  VAL  40          3HG1      VAL  40  -2.723   6.224   1.776
  343   HG21  VAL  40          3HG2      VAL  40  -0.164   4.928   0.633
  344   HG22  VAL  40          1HG2      VAL  40   0.894   5.245   2.008
  345   HG23  VAL  40          2HG2      VAL  40  -0.189   6.506   1.419
  346    H    THR  41           H        THR  41  -0.109   3.932   5.471
  347    HA   THR  41           HA       THR  41   2.507   5.244   5.659
  348    HB   THR  41           HB       THR  41   2.818   3.742   7.656
  349    HG1  THR  41           HG1      THR  41   0.499   3.049   8.388
  350   HG21  THR  41          3HG2      THR  41   1.336   5.024   9.133
  351   HG22  THR  41          1HG2      THR  41   0.409   5.568   7.735
  352   HG23  THR  41          2HG2      THR  41   2.089   6.066   7.926
  353    HA   PRO  42           HA       PRO  42   4.602   1.956   3.493
  354    HB2  PRO  42           2HB      PRO  42   6.664   1.383   5.261
  355    HB3  PRO  42           3HB      PRO  42   6.688   2.688   4.071
  356    HG2  PRO  42           2HG      PRO  42   6.055   2.795   6.989
  357    HG3  PRO  42           3HG      PRO  42   6.969   3.944   5.994
  358    HD2  PRO  42           2HD      PRO  42   4.434   4.432   6.725
  359    HD3  PRO  42           3HD      PRO  42   5.048   4.918   5.130
  360    H    GLU  43           H        GLU  43   3.718   1.603   6.831
  361    HA   GLU  43           HA       GLU  43   3.964  -1.149   7.204
  362    HB2  GLU  43           2HB      GLU  43   3.502   0.243   9.083
  363    HB3  GLU  43           3HB      GLU  43   2.060   0.903   8.326
  364    HG2  GLU  43           2HG      GLU  43   0.961  -1.273   8.527
  365    HG3  GLU  43           3HG      GLU  43   2.407  -1.928   9.298
  366    H    LEU  44           H        LEU  44   1.239   0.758   5.962
  367    HA   LEU  44           HA       LEU  44  -0.462  -1.482   5.559
  368    HB2  LEU  44           2HB      LEU  44  -0.518   1.395   4.790
  369    HB3  LEU  44           3HB      LEU  44  -1.579   0.296   3.934
  370    HG   LEU  44           HG       LEU  44  -2.694  -0.324   5.992
  371   HD11  LEU  44          1HD1      LEU  44  -2.152   0.715   8.122
  372   HD12  LEU  44          2HD1      LEU  44  -0.787   1.550   7.380
  373   HD13  LEU  44          3HD1      LEU  44  -0.781  -0.208   7.509
  374   HD21  LEU  44          3HD2      LEU  44  -3.486   1.654   4.818
  375   HD22  LEU  44          1HD2      LEU  44  -2.380   2.663   5.751
  376   HD23  LEU  44          2HD2      LEU  44  -3.704   1.822   6.560
  377    H    VAL  45           H        VAL  45   1.812   0.254   3.510
  378    HA   VAL  45           HA       VAL  45   1.190  -1.034   1.078
  379    HB   VAL  45           HB       VAL  45   3.907  -0.030   1.947
  380   HG11  VAL  45          1HG1      VAL  45   3.977  -1.430  -0.040
  381   HG12  VAL  45          2HG1      VAL  45   4.300   0.254  -0.460
  382   HG13  VAL  45          3HG1      VAL  45   2.717  -0.453  -0.794
  383   HG21  VAL  45          3HG2      VAL  45   1.668   1.458   0.573
  384   HG22  VAL  45          1HG2      VAL  45   3.292   2.080   0.857
  385   HG23  VAL  45          2HG2      VAL  45   2.234   1.721   2.223
  386    H    GLU  46           H        GLU  46   3.550  -1.763   3.612
  387    HA   GLU  46           HA       GLU  46   4.584  -4.129   2.494
  388    HB2  GLU  46           2HB      GLU  46   5.535  -2.784   4.422
  389    HB3  GLU  46           3HB      GLU  46   4.298  -3.509   5.437
  390    HG2  GLU  46           2HG      GLU  46   6.390  -4.666   5.711
  391    HG3  GLU  46           3HG      GLU  46   5.203  -5.725   4.953
  392    H    GLN  47           H        GLN  47   1.923  -3.528   4.753
  393    HA   GLN  47           HA       GLN  47   1.148  -6.140   5.281
  394    HB2  GLN  47           2HB      GLN  47   0.217  -4.228   6.463
  395    HB3  GLN  47           3HB      GLN  47  -0.560  -3.663   4.992
  396    HG2  GLN  47           2HG      GLN  47  -2.147  -4.723   6.497
  397    HG3  GLN  47           3HG      GLN  47  -2.009  -5.610   4.980
  398   HE21  GLN  47          1HE2      GLN  47  -2.778  -7.506   5.888
  399   HE22  GLN  47          2HE2      GLN  47  -1.838  -8.458   6.981
  400    H    ALA  48           H        ALA  48   0.085  -3.999   2.645
  401    HA   ALA  48           HA       ALA  48  -1.639  -5.798   1.369
  402    HB1  ALA  48           3HB      ALA  48  -1.535  -3.403   0.852
  403    HB2  ALA  48           1HB      ALA  48  -1.392  -4.395  -0.599
  404    HB3  ALA  48           2HB      ALA  48   0.042  -3.639   0.099
  405    H    ARG  49           H        ARG  49   1.847  -5.380   1.168
  406    HA   ARG  49           HA       ARG  49   2.221  -7.099  -1.073
  407    HB2  ARG  49           2HB      ARG  49   3.867  -5.395  -0.373
  408    HB3  ARG  49           3HB      ARG  49   4.162  -6.295   1.105
  409    HG2  ARG  49           2HG      ARG  49   5.939  -6.854  -0.271
  410    HG3  ARG  49           3HG      ARG  49   4.842  -8.224  -0.425
  411    HD2  ARG  49           2HD      ARG  49   5.074  -5.930  -2.368
  412    HD3  ARG  49           3HD      ARG  49   5.799  -7.520  -2.580
  413    HE   ARG  49           HE       ARG  49   2.916  -6.925  -2.648
  414   HH11  ARG  49          1HH1      ARG  49   5.573  -9.122  -3.204
  415   HH12  ARG  49          2HH1      ARG  49   4.690 -10.125  -4.312
  416   HH21  ARG  49          1HH2      ARG  49   1.734  -8.252  -4.112
  417   HH22  ARG  49          2HH2      ARG  49   2.506  -9.633  -4.833
  418    H    LEU  50           H        LEU  50   2.275  -7.503   2.422
  419    HA   LEU  50           HA       LEU  50   3.053 -10.212   2.504
  420    HB2  LEU  50           2HB      LEU  50   2.488  -8.256   4.357
  421    HB3  LEU  50           3HB      LEU  50   1.141  -9.357   4.560
  422    HG   LEU  50           HG       LEU  50   2.918  -9.869   6.135
  423   HD11  LEU  50          1HD1      LEU  50   3.251 -12.241   5.618
  424   HD12  LEU  50          2HD1      LEU  50   2.664 -11.959   3.981
  425   HD13  LEU  50          3HD1      LEU  50   1.584 -11.734   5.356
  426   HD21  LEU  50          3HD2      LEU  50   4.796  -8.992   4.860
  427   HD22  LEU  50          1HD2      LEU  50   4.638 -10.314   3.703
  428   HD23  LEU  50          2HD2      LEU  50   5.101 -10.655   5.372
  429    H    GLU  51           H        GLU  51  -0.080  -8.618   2.251
  430    HA   GLU  51           HA       GLU  51  -1.806 -10.758   2.486
  431    HB2  GLU  51           2HB      GLU  51  -1.960  -8.324   0.709
  432    HB3  GLU  51           3HB      GLU  51  -3.287  -9.460   0.897
  433    HG2  GLU  51           2HG      GLU  51  -2.016  -7.972   3.174
  434    HG3  GLU  51           3HG      GLU  51  -3.452  -7.423   2.309
  435    H    PHE  52           H        PHE  52  -0.257  -9.565  -0.495
  436    HA   PHE  52           HA       PHE  52  -1.353 -11.697  -2.069
  437    HB2  PHE  52           2HB      PHE  52   0.943  -9.866  -2.793
  438    HB3  PHE  52           3HB      PHE  52  -0.067 -10.797  -3.899
  439    HD1  PHE  52           HD1      PHE  52  -2.758 -10.284  -3.066
  440    HD2  PHE  52           HD2      PHE  52   0.576  -7.640  -3.131
  441    HE1  PHE  52           HE1      PHE  52  -4.289  -8.365  -3.251
  442    HE2  PHE  52           HE2      PHE  52  -0.947  -5.720  -3.317
  443    HZ   PHE  52           HZ       PHE  52  -3.383  -6.077  -3.374
  444    H    GLY  53           H        GLY  53   1.493 -11.248  -0.175
  445    HA2  GLY  53           2HA      GLY  53   3.134 -13.247  -1.312
  446    HA3  GLY  53           3HA      GLY  53   3.239 -12.643   0.337
  447    H    GLN  54           H        GLN  54   0.940 -13.375   1.500
  448    HA   GLN  54           HA       GLN  54   1.252 -16.243   1.687
  449    HB2  GLN  54           2HB      GLN  54  -0.395 -16.054   3.534
  450    HB3  GLN  54           3HB      GLN  54   1.012 -15.023   3.738
  451    HG2  GLN  54           2HG      GLN  54  -0.281 -13.099   2.982
  452    HG3  GLN  54           3HG      GLN  54  -1.697 -14.130   2.774
  453   HE21  GLN  54          1HE2      GLN  54  -1.317 -11.799   4.501
  454   HE22  GLN  54          2HE2      GLN  54  -1.617 -12.342   6.120
  455    H    LEU  55           H        LEU  55  -0.686 -14.139  -0.066
  456    HA   LEU  55           HA       LEU  55  -3.094 -15.552  -0.303
  457    HB2  LEU  55           2HB      LEU  55  -2.658 -13.223  -1.079
  458    HB3  LEU  55           3HB      LEU  55  -1.710 -13.872  -2.399
  459    HG   LEU  55           HG       LEU  55  -4.594 -14.652  -2.097
  460   HD11  LEU  55          1HD1      LEU  55  -4.539 -12.214  -1.988
  461   HD12  LEU  55          2HD1      LEU  55  -5.194 -12.759  -3.531
  462   HD13  LEU  55          3HD1      LEU  55  -3.538 -12.160  -3.438
  463   HD21  LEU  55          3HD2      LEU  55  -4.439 -14.860  -4.536
  464   HD22  LEU  55          1HD2      LEU  55  -3.231 -15.861  -3.728
  465   HD23  LEU  55          2HD2      LEU  55  -2.755 -14.336  -4.474
  466    H    GLU  56           H        GLU  56  -0.101 -15.741  -2.207
  467    HA   GLU  56           HA       GLU  56  -1.062 -18.316  -3.264
  468    HB2  GLU  56           2HB      GLU  56  -1.201 -16.679  -5.046
  469    HB3  GLU  56           3HB      GLU  56   0.456 -16.168  -4.754
  470    HG2  GLU  56           2HG      GLU  56   1.038 -18.644  -5.262
  471    HG3  GLU  56           3HG      GLU  56  -0.556 -18.674  -6.017
  472    H    HIS  57           H        HIS  57   1.988 -16.526  -3.576
  473    HA   HIS  57           HA       HIS  57   3.378 -19.036  -3.194
  474    HB2  HIS  57           2HB      HIS  57   5.408 -17.666  -3.898
  475    HB3  HIS  57           3HB      HIS  57   4.147 -17.901  -5.100
  476    HD1  HIS  57           HD1      HIS  57   2.917 -15.832  -5.955
  477    HD2  HIS  57           HD2      HIS  57   5.678 -15.012  -2.943
  478    HE1  HIS  57           HE1      HIS  57   3.162 -13.324  -5.910
  479    HE2  HIS  57           HE2      HIS  57   5.026 -12.888  -4.263
  480    H    HIS  58           H        HIS  58   2.807 -19.100  -0.933
  481    HA   HIS  58           HA       HIS  58   4.643 -17.520   0.744
  482    HB2  HIS  58           2HB      HIS  58   2.164 -17.580   1.298
  483    HB3  HIS  58           3HB      HIS  58   2.360 -19.292   1.653
  484    HD1  HIS  58           HD1      HIS  58   1.843 -19.146   4.122
  485    HD2  HIS  58           HD2      HIS  58   4.900 -16.577   2.941
  486    HE1  HIS  58           HE1      HIS  58   2.828 -18.229   6.252
  487    HE2  HIS  58           HE2      HIS  58   4.724 -16.737   5.520
  488    H    HIS  59           H        HIS  59   4.775 -20.065  -1.036
  489    HA   HIS  59           HA       HIS  59   6.182 -21.825   0.864
  490    HB2  HIS  59           2HB      HIS  59   4.227 -22.858  -0.209
  491    HB3  HIS  59           3HB      HIS  59   4.845 -22.424  -1.794
  492    HD1  HIS  59           HD1      HIS  59   7.161 -23.691  -2.463
  493    HD2  HIS  59           HD2      HIS  59   4.936 -25.318   0.645
  494    HE1  HIS  59           HE1      HIS  59   7.955 -26.066  -2.236
  495    HE2  HIS  59           HE2      HIS  59   6.604 -27.028  -0.334
  496    H    HIS  60           H        HIS  60   8.359 -21.530   0.696
  497    HA   HIS  60           HA       HIS  60   9.567 -20.122  -1.405
  498    HB2  HIS  60           2HB      HIS  60  11.728 -20.769  -0.483
  499    HB3  HIS  60           3HB      HIS  60  10.633 -20.291   0.802
  500    HD1  HIS  60           HD1      HIS  60  12.668 -23.161  -0.435
  501    HD2  HIS  60           HD2      HIS  60   9.854 -22.393   2.536
  502    HE1  HIS  60           HE1      HIS  60  12.793 -25.111   1.145
  503    HE2  HIS  60           HE2      HIS  60  11.176 -24.568   2.997
  504    H    HIS  61           H        HIS  61   9.970 -20.666  -3.409
  505    HA   HIS  61           HA       HIS  61   9.838 -23.454  -4.205
  506    HB2  HIS  61           2HB      HIS  61   9.905 -22.622  -6.513
  507    HB3  HIS  61           3HB      HIS  61   8.650 -21.823  -5.581
  508    HD1  HIS  61           HD1      HIS  61  11.439 -21.155  -7.794
  509    HD2  HIS  61           HD2      HIS  61   9.457 -19.109  -4.755
  510    HE1  HIS  61           HE1      HIS  61  12.036 -18.724  -8.098
  511    HE2  HIS  61           HE2      HIS  61  10.958 -17.531  -6.149
  512    H    HIS  62           H        HIS  62  12.188 -21.416  -3.137
  513    HA   HIS  62           HA       HIS  62  14.225 -23.283  -4.101
  514    HB2  HIS  62           2HB      HIS  62  14.363 -20.279  -4.113
  515    HB3  HIS  62           3HB      HIS  62  15.829 -21.224  -3.896
  516    HD1  HIS  62           HD1      HIS  62  14.660 -19.384  -6.422
  517    HD2  HIS  62           HD2      HIS  62  15.354 -23.483  -6.196
  518    HE1  HIS  62           HE1      HIS  62  15.001 -20.152  -8.797
  519    HE2  HIS  62           HE2      HIS  62  15.617 -22.591  -8.613
  Start of MODEL   18
    1    H1   MET   1           1H       MET   1  -8.580   5.685  -5.736
    2    H2   MET   1           2H       MET   1  -9.529   4.871  -4.599
    3    H3   MET   1           3H       MET   1  -7.870   5.099  -4.311
    4    HA   MET   1           HA       MET   1  -9.939   7.225  -4.474
    5    HB2  MET   1           2HB      MET   1  -8.355   6.140  -2.130
    6    HB3  MET   1           3HB      MET   1  -9.322   7.605  -2.077
    7    HG2  MET   1           2HG      MET   1 -10.380   4.848  -2.646
    8    HG3  MET   1           3HG      MET   1 -10.472   5.683  -1.096
    9    HE1  MET   1           3HE      MET   1 -14.179   5.733  -2.336
   10    HE2  MET   1           1HE      MET   1 -13.083   5.292  -1.025
   11    HE3  MET   1           2HE      MET   1 -12.997   4.443  -2.568
   12    H    ASN   2           H        ASN   2  -6.575   6.331  -4.257
   13    HA   ASN   2           HA       ASN   2  -4.636   7.448  -4.464
   14    HB2  ASN   2           2HB      ASN   2  -6.167   8.488  -6.454
   15    HB3  ASN   2           3HB      ASN   2  -5.775   9.948  -5.547
   16   HD21  ASN   2          1HD2      ASN   2  -4.462  10.762  -7.163
   17   HD22  ASN   2          2HD2      ASN   2  -2.906  10.087  -7.514
   18    H    LEU   3           H        LEU   3  -4.855   7.451  -2.143
   19    HA   LEU   3           HA       LEU   3  -5.627   9.894  -0.812
   20    HB2  LEU   3           2HB      LEU   3  -4.361   7.371   0.253
   21    HB3  LEU   3           3HB      LEU   3  -4.957   8.693   1.237
   22    HG   LEU   3           HG       LEU   3  -6.626   6.906  -0.535
   23   HD11  LEU   3          1HD1      LEU   3  -6.450   7.138   2.462
   24   HD12  LEU   3          2HD1      LEU   3  -5.847   5.799   1.485
   25   HD13  LEU   3          3HD1      LEU   3  -7.580   6.120   1.570
   26   HD21  LEU   3          3HD2      LEU   3  -7.526   9.161  -0.492
   27   HD22  LEU   3          1HD2      LEU   3  -7.441   9.178   1.270
   28   HD23  LEU   3          2HD2      LEU   3  -8.545   8.074   0.451
   29    H    ARG   4           H        ARG   4  -3.883  10.454   1.083
   30    HA   ARG   4           HA       ARG   4  -1.666  11.554  -0.371
   31    HB2  ARG   4           2HB      ARG   4  -2.806  12.687   1.587
   32    HB3  ARG   4           3HB      ARG   4  -2.003  11.517   2.633
   33    HG2  ARG   4           2HG      ARG   4   0.149  12.335   1.400
   34    HG3  ARG   4           3HG      ARG   4  -0.840  13.749   1.040
   35    HD2  ARG   4           2HD      ARG   4  -1.267  14.035   3.446
   36    HD3  ARG   4           3HD      ARG   4  -0.231  12.649   3.782
   37    HE   ARG   4           HE       ARG   4   0.615  15.295   3.382
   38   HH11  ARG   4          1HH1      ARG   4   1.532  12.035   2.439
   39   HH12  ARG   4          2HH1      ARG   4   3.198  12.448   2.167
   40   HH21  ARG   4          1HH2      ARG   4   2.813  15.810   3.089
   41   HH22  ARG   4          2HH2      ARG   4   3.925  14.582   2.563
   42    H    TRP   5           H        TRP   5  -0.203  10.092  -1.073
   43    HA   TRP   5           HA       TRP   5   0.638   7.898   0.604
   44    HB2  TRP   5           2HB      TRP   5   1.472   8.813  -2.148
   45    HB3  TRP   5           3HB      TRP   5   2.262   7.485  -1.316
   46    HD1  TRP   5           HD1      TRP   5  -1.308   8.406  -2.553
   47    HE1  TRP   5           HE1      TRP   5  -2.504   6.212  -3.207
   48    HE3  TRP   5           HE3      TRP   5   2.319   5.079  -1.182
   49    HZ2  TRP   5           HZ2      TRP   5  -1.954   3.447  -3.159
   50    HZ3  TRP   5           HZ3      TRP   5   1.907   2.679  -1.523
   51    HH2  TRP   5           HH2      TRP   5  -0.185   1.883  -2.488
   52    H    THR   6           H        THR   6   2.209   7.983   2.034
   53    HA   THR   6           HA       THR   6   3.877  10.260   2.371
   54    HB   THR   6           HB       THR   6   5.084   8.799   4.037
   55    HG1  THR   6           HG1      THR   6   3.051   6.889   3.864
   56   HG21  THR   6          3HG2      THR   6   3.215  10.183   4.737
   57   HG22  THR   6          1HG2      THR   6   3.185   8.644   5.595
   58   HG23  THR   6          2HG2      THR   6   2.074   8.924   4.253
   59    H    SER   7           H        SER   7   6.260  10.189   2.304
   60    HA   SER   7           HA       SER   7   7.220   9.402  -0.212
   61    HB2  SER   7           2HB      SER   7   9.040   9.824   2.141
   62    HB3  SER   7           3HB      SER   7   9.245  10.345   0.468
   63    HG   SER   7           HG       SER   7   7.696  11.931   0.784
   64    H    GLU   8           H        GLU   8   7.375   7.902   2.963
   65    HA   GLU   8           HA       GLU   8   9.043   5.726   2.227
   66    HB2  GLU   8           2HB      GLU   8   7.028   5.977   4.465
   67    HB3  GLU   8           3HB      GLU   8   8.211   4.683   4.315
   68    HG2  GLU   8           2HG      GLU   8   8.804   7.608   4.677
   69    HG3  GLU   8           3HG      GLU   8   8.957   6.345   5.899
   70    H    ALA   9           H        ALA   9   5.538   6.194   2.292
   71    HA   ALA   9           HA       ALA   9   4.789   3.543   1.731
   72    HB1  ALA   9           3HB      ALA   9   2.648   4.469   1.035
   73    HB2  ALA   9           1HB      ALA   9   3.351   6.085   0.985
   74    HB3  ALA   9           2HB      ALA   9   3.207   5.233   2.525
   75    H    LYS  10           H        LYS  10   5.321   6.307  -0.443
   76    HA   LYS  10           HA       LYS  10   4.892   5.052  -2.880
   77    HB2  LYS  10           2HB      LYS  10   6.947   7.158  -2.181
   78    HB3  LYS  10           3HB      LYS  10   6.457   6.734  -3.816
   79    HG2  LYS  10           2HG      LYS  10   4.257   7.567  -3.454
   80    HG3  LYS  10           3HG      LYS  10   4.562   7.775  -1.728
   81    HD2  LYS  10           2HD      LYS  10   6.236   9.472  -2.211
   82    HD3  LYS  10           3HD      LYS  10   5.991   9.239  -3.943
   83    HE2  LYS  10           2HE      LYS  10   3.858  10.140  -2.016
   84    HE3  LYS  10           3HE      LYS  10   4.823  11.224  -3.017
   85    HZ1  LYS  10           3HZ      LYS  10   3.024   9.086  -4.037
   86    HZ2  LYS  10           1HZ      LYS  10   3.938  10.153  -4.987
   87    HZ3  LYS  10           2HZ      LYS  10   2.674  10.743  -4.019
   88    H    THR  11           H        THR  11   7.847   5.191  -0.931
   89    HA   THR  11           HA       THR  11   9.494   3.809  -2.759
   90    HB   THR  11           HB       THR  11   9.808   3.991   0.244
   91    HG1  THR  11           HG1      THR  11   9.761   6.077  -0.443
   92   HG21  THR  11          3HG2      THR  11  12.208   3.744  -0.240
   93   HG22  THR  11          1HG2      THR  11  11.840   3.542  -1.952
   94   HG23  THR  11          2HG2      THR  11  11.295   2.339  -0.784
   95    H    LYS  12           H        LYS  12   7.580   2.690   0.032
   96    HA   LYS  12           HA       LYS  12   8.298  -0.032  -0.132
   97    HB2  LYS  12           2HB      LYS  12   5.843   1.353   0.940
   98    HB3  LYS  12           3HB      LYS  12   6.032  -0.394   1.003
   99    HG2  LYS  12           2HG      LYS  12   7.986   1.543   2.218
  100    HG3  LYS  12           3HG      LYS  12   6.640   0.815   3.095
  101    HD2  LYS  12           2HD      LYS  12   7.547  -1.422   2.561
  102    HD3  LYS  12           3HD      LYS  12   8.928  -0.647   1.780
  103    HE2  LYS  12           2HE      LYS  12   9.501   0.439   3.910
  104    HE3  LYS  12           3HE      LYS  12   8.137  -0.369   4.679
  105    HZ1  LYS  12           3HZ      LYS  12  10.252  -1.504   5.080
  106    HZ2  LYS  12           1HZ      LYS  12  10.445  -1.752   3.414
  107    HZ3  LYS  12           2HZ      LYS  12   9.162  -2.496   4.244
  108    H    LEU  13           H        LEU  13   5.820   1.864  -1.748
  109    HA   LEU  13           HA       LEU  13   4.418  -0.256  -2.962
  110    HB2  LEU  13           2HB      LEU  13   3.567   2.042  -2.739
  111    HB3  LEU  13           3HB      LEU  13   4.768   2.599  -3.886
  112    HG   LEU  13           HG       LEU  13   3.710   1.220  -5.642
  113   HD11  LEU  13          1HD1      LEU  13   2.745  -0.512  -4.225
  114   HD12  LEU  13          2HD1      LEU  13   1.512   0.235  -5.240
  115   HD13  LEU  13          3HD1      LEU  13   1.628   0.664  -3.534
  116   HD21  LEU  13          3HD2      LEU  13   1.804   3.090  -4.243
  117   HD22  LEU  13          1HD2      LEU  13   1.746   2.611  -5.940
  118   HD23  LEU  13          2HD2      LEU  13   3.097   3.575  -5.340
  119    H    LYS  14           H        LYS  14   7.339   1.445  -3.824
  120    HA   LYS  14           HA       LYS  14   7.487   0.512  -6.515
  121    HB2  LYS  14           2HB      LYS  14   9.635   1.578  -4.677
  122    HB3  LYS  14           3HB      LYS  14   9.845   1.281  -6.398
  123    HG2  LYS  14           2HG      LYS  14   8.172   2.948  -6.920
  124    HG3  LYS  14           3HG      LYS  14   7.867   3.209  -5.201
  125    HD2  LYS  14           2HD      LYS  14  10.200   3.945  -4.921
  126    HD3  LYS  14           3HD      LYS  14  10.457   3.735  -6.657
  127    HE2  LYS  14           2HE      LYS  14   8.748   5.406  -7.122
  128    HE3  LYS  14           3HE      LYS  14   8.446   5.591  -5.394
  129    HZ1  LYS  14           3HZ      LYS  14   9.873   7.344  -6.229
  130    HZ2  LYS  14           1HZ      LYS  14  11.001   6.206  -6.778
  131    HZ3  LYS  14           2HZ      LYS  14  10.714   6.379  -5.118
  132    H    ASN  15           H        ASN  15   8.009  -0.982  -3.526
  133    HA   ASN  15           HA       ASN  15   9.912  -2.930  -4.497
  134    HB2  ASN  15           2HB      ASN  15   8.486  -2.478  -1.907
  135    HB3  ASN  15           3HB      ASN  15   9.184  -4.063  -2.235
  136   HD21  ASN  15          1HD2      ASN  15   9.861  -0.699  -1.638
  137   HD22  ASN  15          2HD2      ASN  15  11.555  -0.901  -1.337
  138    H    ILE  16           H        ILE  16   6.569  -2.466  -4.597
  139    HA   ILE  16           HA       ILE  16   5.866  -5.267  -4.820
  140    HB   ILE  16           HB       ILE  16   4.210  -2.793  -5.361
  141   HG12  ILE  16          2HG1      ILE  16   4.300  -4.558  -2.900
  142   HG13  ILE  16          3HG1      ILE  16   5.061  -2.976  -3.023
  143   HG21  ILE  16          1HG2      ILE  16   2.282  -4.299  -5.121
  144   HG22  ILE  16          2HG2      ILE  16   3.381  -5.668  -4.960
  145   HG23  ILE  16          3HG2      ILE  16   3.312  -4.766  -6.474
  146   HD11  ILE  16          3HD1      ILE  16   2.874  -1.950  -3.332
  147   HD12  ILE  16          1HD1      ILE  16   2.954  -2.862  -1.826
  148   HD13  ILE  16          2HD1      ILE  16   2.111  -3.535  -3.222
  149    HA   PRO  17           HA       PRO  17   7.033  -5.615  -9.116
  150    HB2  PRO  17           2HB      PRO  17   4.865  -7.658  -9.083
  151    HB3  PRO  17           3HB      PRO  17   6.537  -7.797  -9.641
  152    HG2  PRO  17           2HG      PRO  17   5.793  -8.873  -7.325
  153    HG3  PRO  17           3HG      PRO  17   7.370  -8.082  -7.498
  154    HD2  PRO  17           2HD      PRO  17   4.887  -7.095  -6.168
  155    HD3  PRO  17           3HD      PRO  17   6.584  -6.866  -5.705
  156    H    PHE  18           H        PHE  18   6.224  -5.094 -11.133
  157    HA   PHE  18           HA       PHE  18   4.262  -3.118 -11.221
  158    HB2  PHE  18           2HB      PHE  18   6.016  -3.281 -12.899
  159    HB3  PHE  18           3HB      PHE  18   5.365  -4.812 -13.472
  160    HD1  PHE  18           HD2      PHE  18   4.785  -1.183 -13.305
  161    HD2  PHE  18           HD1      PHE  18   3.523  -4.891 -14.966
  162    HE1  PHE  18           HE2      PHE  18   3.370   0.025 -14.918
  163    HE2  PHE  18           HE1      PHE  18   2.111  -3.694 -16.582
  164    HZ   PHE  18           HZ       PHE  18   2.032  -1.232 -16.561
  165    H    PHE  19           H        PHE  19   4.036  -6.551 -11.919
  166    HA   PHE  19           HA       PHE  19   1.535  -6.630 -13.142
  167    HB2  PHE  19           2HB      PHE  19   3.075  -8.527 -13.118
  168    HB3  PHE  19           3HB      PHE  19   2.868  -8.702 -11.382
  169    HD1  PHE  19           HD1      PHE  19   1.006  -8.834 -14.591
  170    HD2  PHE  19           HD2      PHE  19   1.215 -10.082 -10.528
  171    HE1  PHE  19           HE1      PHE  19  -0.865 -10.387 -14.973
  172    HE2  PHE  19           HE2      PHE  19  -0.653 -11.636 -10.904
  173    HZ   PHE  19           HZ       PHE  19  -1.696 -11.789 -13.130
  174    H    ALA  20           H        ALA  20   2.379  -6.235  -9.789
  175    HA   ALA  20           HA       ALA  20  -0.470  -6.456  -9.067
  176    HB1  ALA  20           3HB      ALA  20   0.898  -8.192  -8.017
  177    HB2  ALA  20           1HB      ALA  20   0.220  -7.086  -6.823
  178    HB3  ALA  20           2HB      ALA  20   1.916  -6.948  -7.290
  179    H    ARG  21           H        ARG  21   1.581  -4.190  -9.860
  180    HA   ARG  21           HA       ARG  21   1.906  -2.497  -7.657
  181    HB2  ARG  21           2HB      ARG  21   2.097  -2.230 -10.584
  182    HB3  ARG  21           3HB      ARG  21   1.800  -0.731  -9.714
  183    HG2  ARG  21           2HG      ARG  21   4.012  -2.613  -8.953
  184    HG3  ARG  21           3HG      ARG  21   4.219  -1.338 -10.156
  185    HD2  ARG  21           2HD      ARG  21   3.154  -0.762  -7.406
  186    HD3  ARG  21           3HD      ARG  21   4.885  -0.818  -7.734
  187    HE   ARG  21           HE       ARG  21   4.665   1.086  -9.109
  188   HH11  ARG  21          1HH1      ARG  21   1.629   0.210  -7.585
  189   HH12  ARG  21          2HH1      ARG  21   0.912   1.766  -7.850
  190   HH21  ARG  21          1HH2      ARG  21   3.742   3.131  -9.406
  191   HH22  ARG  21          2HH2      ARG  21   2.122   3.441  -8.837
  192    H    SER  22           H        SER  22  -0.604  -2.343 -10.188
  193    HA   SER  22           HA       SER  22  -2.006  -0.250  -8.847
  194    HB2  SER  22           2HB      SER  22  -2.970  -2.072 -11.064
  195    HB3  SER  22           3HB      SER  22  -3.674  -0.520 -10.599
  196    HG   SER  22           HG       SER  22  -2.234   0.434 -11.778
  197    H    GLN  23           H        GLN  23  -2.118  -3.718  -8.807
  198    HA   GLN  23           HA       GLN  23  -4.725  -4.014  -7.726
  199    HB2  GLN  23           2HB      GLN  23  -3.417  -5.820  -8.874
  200    HB3  GLN  23           3HB      GLN  23  -2.370  -5.896  -7.464
  201    HG2  GLN  23           2HG      GLN  23  -3.985  -7.665  -7.366
  202    HG3  GLN  23           3HG      GLN  23  -4.306  -6.497  -6.082
  203   HE21  GLN  23          1HE2      GLN  23  -5.404  -7.830  -9.091
  204   HE22  GLN  23          2HE2      GLN  23  -7.007  -7.171  -9.029
  205    H    ALA  24           H        ALA  24  -1.480  -4.113  -6.255
  206    HA   ALA  24           HA       ALA  24  -2.350  -4.378  -3.593
  207    HB1  ALA  24           3HB      ALA  24  -0.056  -4.857  -4.308
  208    HB2  ALA  24           1HB      ALA  24  -0.089  -3.699  -2.976
  209    HB3  ALA  24           2HB      ALA  24   0.200  -3.142  -4.625
  210    H    LYS  25           H        LYS  25  -1.640  -1.544  -5.588
  211    HA   LYS  25           HA       LYS  25  -1.785   0.462  -3.681
  212    HB2  LYS  25           2HB      LYS  25  -1.128   0.787  -6.052
  213    HB3  LYS  25           3HB      LYS  25  -2.808   0.584  -6.525
  214    HG2  LYS  25           2HG      LYS  25  -3.415   2.573  -5.254
  215    HG3  LYS  25           3HG      LYS  25  -1.734   2.772  -4.760
  216    HD2  LYS  25           2HD      LYS  25  -1.140   2.910  -7.197
  217    HD3  LYS  25           3HD      LYS  25  -2.868   2.961  -7.544
  218    HE2  LYS  25           2HE      LYS  25  -1.392   4.930  -5.799
  219    HE3  LYS  25           3HE      LYS  25  -1.811   5.199  -7.487
  220    HZ1  LYS  25           3HZ      LYS  25  -4.190   4.868  -6.795
  221    HZ2  LYS  25           1HZ      LYS  25  -3.445   6.264  -6.184
  222    HZ3  LYS  25           2HZ      LYS  25  -3.663   4.919  -5.182
  223    H    ALA  26           H        ALA  26  -4.404  -1.038  -5.541
  224    HA   ALA  26           HA       ALA  26  -6.522   0.514  -4.565
  225    HB1  ALA  26           3HB      ALA  26  -6.717  -0.975  -6.506
  226    HB2  ALA  26           1HB      ALA  26  -7.976  -1.293  -5.313
  227    HB3  ALA  26           2HB      ALA  26  -6.589  -2.374  -5.441
  228    H    ARG  27           H        ARG  27  -5.122  -2.526  -3.347
  229    HA   ARG  27           HA       ARG  27  -6.980  -2.764  -1.204
  230    HB2  ARG  27           2HB      ARG  27  -5.793  -4.722  -2.000
  231    HB3  ARG  27           3HB      ARG  27  -4.249  -4.004  -1.564
  232    HG2  ARG  27           2HG      ARG  27  -4.681  -4.211   0.740
  233    HG3  ARG  27           3HG      ARG  27  -6.391  -4.542   0.468
  234    HD2  ARG  27           2HD      ARG  27  -4.145  -6.345  -0.423
  235    HD3  ARG  27           3HD      ARG  27  -5.041  -6.545   1.082
  236    HE   ARG  27           HE       ARG  27  -6.547  -6.501  -1.427
  237   HH11  ARG  27          1HH1      ARG  27  -5.321  -8.316   1.311
  238   HH12  ARG  27          2HH1      ARG  27  -6.329  -9.694   1.009
  239   HH21  ARG  27          1HH2      ARG  27  -7.861  -8.317  -1.835
  240   HH22  ARG  27          2HH2      ARG  27  -7.767  -9.703  -0.778
  241    H    ILE  28           H        ILE  28  -3.767  -1.303  -1.465
  242    HA   ILE  28           HA       ILE  28  -3.312  -0.815   1.255
  243    HB   ILE  28           HB       ILE  28  -2.435   0.828  -1.128
  244   HG12  ILE  28          2HG1      ILE  28  -0.880  -1.210   0.472
  245   HG13  ILE  28          3HG1      ILE  28  -1.729  -1.595  -1.023
  246   HG21  ILE  28          1HG2      ILE  28  -0.688   1.717   0.350
  247   HG22  ILE  28          2HG2      ILE  28  -1.415   0.858   1.711
  248   HG23  ILE  28          3HG2      ILE  28  -2.305   2.151   0.907
  249   HD11  ILE  28          3HD1      ILE  28   0.636  -1.231  -1.408
  250   HD12  ILE  28          1HD1      ILE  28   0.507   0.392  -0.730
  251   HD13  ILE  28          2HD1      ILE  28  -0.334  -0.009  -2.227
  252    H    GLU  29           H        GLU  29  -4.905   1.227  -1.183
  253    HA   GLU  29           HA       GLU  29  -5.460   3.333   0.649
  254    HB2  GLU  29           2HB      GLU  29  -6.729   2.731  -2.025
  255    HB3  GLU  29           3HB      GLU  29  -6.865   4.247  -1.141
  256    HG2  GLU  29           2HG      GLU  29  -4.410   4.501  -1.287
  257    HG3  GLU  29           3HG      GLU  29  -4.352   3.051  -2.283
  258    H    GLN  30           H        GLN  30  -7.054   0.381  -0.185
  259    HA   GLN  30           HA       GLN  30  -9.571   0.981   1.023
  260    HB2  GLN  30           2HB      GLN  30  -9.082  -0.913  -0.590
  261    HB3  GLN  30           3HB      GLN  30  -8.254  -1.731   0.721
  262    HG2  GLN  30           2HG      GLN  30 -11.124  -0.897   0.947
  263    HG3  GLN  30           3HG      GLN  30 -10.653  -2.417   0.192
  264   HE21  GLN  30          1HE2      GLN  30  -9.624  -3.996   1.480
  265   HE22  GLN  30          2HE2      GLN  30  -9.818  -4.018   3.202
  266    H    LEU  31           H        LEU  31  -6.653  -0.723   2.101
  267    HA   LEU  31           HA       LEU  31  -7.391  -1.251   4.736
  268    HB2  LEU  31           2HB      LEU  31  -4.657  -0.626   3.621
  269    HB3  LEU  31           3HB      LEU  31  -4.959  -1.350   5.189
  270    HG   LEU  31           HG       LEU  31  -5.780  -2.628   2.580
  271   HD11  LEU  31          1HD1      LEU  31  -3.350  -2.399   2.687
  272   HD12  LEU  31          2HD1      LEU  31  -3.849  -4.081   2.855
  273   HD13  LEU  31          3HD1      LEU  31  -3.345  -3.167   4.276
  274   HD21  LEU  31          3HD2      LEU  31  -7.050  -3.336   4.554
  275   HD22  LEU  31          1HD2      LEU  31  -5.542  -3.733   5.377
  276   HD23  LEU  31          2HD2      LEU  31  -6.024  -4.632   3.939
  277    H    ALA  32           H        ALA  32  -5.881   1.622   3.325
  278    HA   ALA  32           HA       ALA  32  -5.431   3.046   5.700
  279    HB1  ALA  32           3HB      ALA  32  -4.510   3.675   3.505
  280    HB2  ALA  32           1HB      ALA  32  -5.313   5.022   4.312
  281    HB3  ALA  32           2HB      ALA  32  -6.121   4.176   2.990
  282    H    ARG  33           H        ARG  33  -8.263   2.989   3.550
  283    HA   ARG  33           HA       ARG  33  -9.812   4.804   5.058
  284    HB2  ARG  33           2HB      ARG  33 -10.598   2.619   3.129
  285    HB3  ARG  33           3HB      ARG  33 -11.753   3.733   3.848
  286    HG2  ARG  33           2HG      ARG  33 -10.553   5.617   2.835
  287    HG3  ARG  33           3HG      ARG  33  -9.425   4.483   2.091
  288    HD2  ARG  33           2HD      ARG  33 -12.401   4.414   1.634
  289    HD3  ARG  33           3HD      ARG  33 -11.282   5.309   0.606
  290    HE   ARG  33           HE       ARG  33 -10.190   3.067   0.224
  291   HH11  ARG  33          1HH1      ARG  33 -13.581   3.310   1.096
  292   HH12  ARG  33          2HH1      ARG  33 -14.033   1.876   0.222
  293   HH21  ARG  33          1HH2      ARG  33 -10.808   1.179  -0.951
  294   HH22  ARG  33          2HH2      ARG  33 -12.470   0.672  -0.926
  295    H    GLN  34           H        GLN  34  -9.389   1.319   5.193
  296    HA   GLN  34           HA       GLN  34 -11.357   0.760   7.131
  297    HB2  GLN  34           2HB      GLN  34 -10.308  -0.979   5.776
  298    HB3  GLN  34           3HB      GLN  34  -8.751  -0.650   6.525
  299    HG2  GLN  34           2HG      GLN  34  -9.627  -1.396   8.674
  300    HG3  GLN  34           3HG      GLN  34 -11.193  -1.713   7.931
  301   HE21  GLN  34          1HE2      GLN  34  -7.885  -2.753   8.207
  302   HE22  GLN  34          2HE2      GLN  34  -8.109  -4.316   7.491
  303    H    ALA  35           H        ALA  35  -8.019   1.813   7.368
  304    HA   ALA  35           HA       ALA  35  -8.032   1.726  10.269
  305    HB1  ALA  35           3HB      ALA  35  -5.965   2.795   8.353
  306    HB2  ALA  35           1HB      ALA  35  -5.987   1.178   9.054
  307    HB3  ALA  35           2HB      ALA  35  -5.751   2.586  10.091
  308    H    GLU  36           H        GLU  36  -9.272   3.748   7.985
  309    HA   GLU  36           HA       GLU  36 -10.214   5.802   8.037
  310    HB2  GLU  36           2HB      GLU  36  -9.655   5.630  11.004
  311    HB3  GLU  36           3HB      GLU  36 -10.677   6.844  10.240
  312    HG2  GLU  36           2HG      GLU  36 -12.177   5.069   9.457
  313    HG3  GLU  36           3HG      GLU  36 -11.161   3.870  10.258
  314    H    GLN  37           H        GLN  37  -7.461   5.572   7.424
  315    HA   GLN  37           HA       GLN  37  -6.542   8.235   8.293
  316    HB2  GLN  37           2HB      GLN  37  -4.244   7.516   7.971
  317    HB3  GLN  37           3HB      GLN  37  -5.050   6.454   9.112
  318    HG2  GLN  37           2HG      GLN  37  -5.334   4.783   7.333
  319    HG3  GLN  37           3HG      GLN  37  -4.486   5.849   6.215
  320   HE21  GLN  37          1HE2      GLN  37  -3.607   5.491   9.577
  321   HE22  GLN  37          2HE2      GLN  37  -2.109   4.688   9.301
  322    H    ASP  38           H        ASP  38  -5.958   9.676   6.752
  323    HA   ASP  38           HA       ASP  38  -6.682   9.007   3.997
  324    HB2  ASP  38           2HB      ASP  38  -5.874  11.687   5.158
  325    HB3  ASP  38           3HB      ASP  38  -6.638  11.401   3.600
  326    H    ILE  39           H        ILE  39  -4.044   9.160   5.983
  327    HA   ILE  39           HA       ILE  39  -2.142   9.611   3.783
  328    HB   ILE  39           HB       ILE  39  -1.668   9.770   6.768
  329   HG12  ILE  39          2HG1      ILE  39  -1.823  12.046   4.785
  330   HG13  ILE  39          3HG1      ILE  39  -3.154  11.571   5.836
  331   HG21  ILE  39          1HG2      ILE  39   0.470  10.813   6.123
  332   HG22  ILE  39          2HG2      ILE  39   0.100  10.465   4.433
  333   HG23  ILE  39          3HG2      ILE  39   0.326   9.141   5.578
  334   HD11  ILE  39          3HD1      ILE  39  -0.453  12.535   6.744
  335   HD12  ILE  39          1HD1      ILE  39  -1.793  12.067   7.791
  336   HD13  ILE  39          2HD1      ILE  39  -1.948  13.472   6.738
  337    H    VAL  40           H        VAL  40  -1.487   7.690   2.977
  338    HA   VAL  40           HA       VAL  40  -1.769   5.293   4.555
  339    HB   VAL  40           HB       VAL  40  -1.056   4.056   2.609
  340   HG11  VAL  40          1HG1      VAL  40  -2.890   6.308   1.806
  341   HG12  VAL  40          2HG1      VAL  40  -3.364   4.844   2.668
  342   HG13  VAL  40          3HG1      VAL  40  -2.764   4.737   1.012
  343   HG21  VAL  40          3HG2      VAL  40  -0.476   6.698   1.289
  344   HG22  VAL  40          1HG2      VAL  40  -0.338   5.103   0.552
  345   HG23  VAL  40          2HG2      VAL  40   0.744   5.562   1.872
  346    H    THR  41           H        THR  41  -0.301   4.343   5.714
  347    HA   THR  41           HA       THR  41   2.360   5.496   5.839
  348    HB   THR  41           HB       THR  41   2.619   3.990   7.826
  349    HG1  THR  41           HG1      THR  41  -0.118   3.487   7.904
  350   HG21  THR  41          3HG2      THR  41   1.829   6.296   8.090
  351   HG22  THR  41          1HG2      THR  41   1.076   5.227   9.273
  352   HG23  THR  41          2HG2      THR  41   0.165   5.756   7.857
  353    HA   PRO  42           HA       PRO  42   4.464   2.376   3.533
  354    HB2  PRO  42           2HB      PRO  42   6.605   1.850   5.205
  355    HB3  PRO  42           3HB      PRO  42   6.522   3.207   4.077
  356    HG2  PRO  42           2HG      PRO  42   5.945   3.145   7.013
  357    HG3  PRO  42           3HG      PRO  42   6.805   4.375   6.066
  358    HD2  PRO  42           2HD      PRO  42   4.274   4.744   6.845
  359    HD3  PRO  42           3HD      PRO  42   4.830   5.294   5.248
  360    H    GLU  43           H        GLU  43   3.645   1.852   6.858
  361    HA   GLU  43           HA       GLU  43   4.172  -0.886   7.120
  362    HB2  GLU  43           2HB      GLU  43   1.812   0.476   8.399
  363    HB3  GLU  43           3HB      GLU  43   2.819  -0.807   9.053
  364    HG2  GLU  43           2HG      GLU  43   3.646   2.059   8.645
  365    HG3  GLU  43           3HG      GLU  43   3.223   1.305  10.179
  366    H    LEU  44           H        LEU  44   1.228   0.843   6.154
  367    HA   LEU  44           HA       LEU  44  -0.334  -1.471   5.687
  368    HB2  LEU  44           2HB      LEU  44  -0.576   1.429   5.115
  369    HB3  LEU  44           3HB      LEU  44  -1.584   0.349   4.174
  370    HG   LEU  44           HG       LEU  44  -2.540  -0.560   6.264
  371   HD11  LEU  44          1HD1      LEU  44  -0.675  -0.152   7.768
  372   HD12  LEU  44          2HD1      LEU  44  -2.151   0.595   8.379
  373   HD13  LEU  44          3HD1      LEU  44  -0.914   1.589   7.610
  374   HD21  LEU  44          3HD2      LEU  44  -3.670   1.248   5.105
  375   HD22  LEU  44          1HD2      LEU  44  -2.714   2.436   5.994
  376   HD23  LEU  44          2HD2      LEU  44  -3.863   1.407   6.851
  377    H    VAL  45           H        VAL  45   1.728   0.500   3.632
  378    HA   VAL  45           HA       VAL  45   0.988  -0.657   1.168
  379    HB   VAL  45           HB       VAL  45   3.661   0.525   1.933
  380   HG11  VAL  45          1HG1      VAL  45   2.402   0.071  -0.772
  381   HG12  VAL  45          2HG1      VAL  45   3.805  -0.770  -0.111
  382   HG13  VAL  45          3HG1      VAL  45   3.900   0.952  -0.475
  383   HG21  VAL  45          3HG2      VAL  45   1.847   2.084   2.351
  384   HG22  VAL  45          1HG2      VAL  45   1.225   1.825   0.720
  385   HG23  VAL  45          2HG2      VAL  45   2.795   2.596   0.955
  386    H    GLU  46           H        GLU  46   3.607  -1.434   3.449
  387    HA   GLU  46           HA       GLU  46   4.580  -3.634   1.933
  388    HB2  GLU  46           2HB      GLU  46   5.968  -2.484   3.600
  389    HB3  GLU  46           3HB      GLU  46   4.895  -3.036   4.880
  390    HG2  GLU  46           2HG      GLU  46   5.498  -5.323   4.476
  391    HG3  GLU  46           3HG      GLU  46   6.451  -4.862   3.067
  392    H    GLN  47           H        GLN  47   2.266  -3.293   4.562
  393    HA   GLN  47           HA       GLN  47   1.800  -5.950   5.181
  394    HB2  GLN  47           2HB      GLN  47   0.842  -3.874   6.301
  395    HB3  GLN  47           3HB      GLN  47  -0.353  -3.836   5.014
  396    HG2  GLN  47           2HG      GLN  47   0.034  -6.227   6.783
  397    HG3  GLN  47           3HG      GLN  47  -1.043  -4.898   7.200
  398   HE21  GLN  47          1HE2      GLN  47  -1.488  -7.763   6.565
  399   HE22  GLN  47          2HE2      GLN  47  -2.686  -7.770   5.325
  400    H    ALA  48           H        ALA  48   0.268  -3.949   2.671
  401    HA   ALA  48           HA       ALA  48  -1.414  -5.979   1.680
  402    HB1  ALA  48           3HB      ALA  48  -1.807  -3.617   1.212
  403    HB2  ALA  48           1HB      ALA  48  -1.702  -4.547  -0.281
  404    HB3  ALA  48           2HB      ALA  48  -0.338  -3.554   0.236
  405    H    ARG  49           H        ARG  49   1.935  -5.160   1.028
  406    HA   ARG  49           HA       ARG  49   2.257  -6.785  -1.279
  407    HB2  ARG  49           2HB      ARG  49   3.884  -5.031  -0.545
  408    HB3  ARG  49           3HB      ARG  49   4.363  -6.096   0.773
  409    HG2  ARG  49           2HG      ARG  49   4.968  -7.811  -0.957
  410    HG3  ARG  49           3HG      ARG  49   4.692  -6.568  -2.179
  411    HD2  ARG  49           2HD      ARG  49   6.394  -5.163  -1.140
  412    HD3  ARG  49           3HD      ARG  49   6.652  -6.396   0.092
  413    HE   ARG  49           HE       ARG  49   7.014  -7.355  -2.595
  414   HH11  ARG  49          1HH1      ARG  49   8.597  -5.838   0.145
  415   HH12  ARG  49          2HH1      ARG  49  10.195  -6.285  -0.384
  416   HH21  ARG  49          1HH2      ARG  49   9.119  -7.965  -3.256
  417   HH22  ARG  49          2HH2      ARG  49  10.486  -7.500  -2.285
  418    H    LEU  50           H        LEU  50   2.277  -7.373   2.155
  419    HA   LEU  50           HA       LEU  50   3.198 -10.089   1.865
  420    HB2  LEU  50           2HB      LEU  50   2.497  -8.324   4.130
  421    HB3  LEU  50           3HB      LEU  50   2.261 -10.045   4.382
  422    HG   LEU  50           HG       LEU  50   4.442  -9.462   5.183
  423   HD11  LEU  50          1HD1      LEU  50   5.850 -10.887   3.736
  424   HD12  LEU  50          2HD1      LEU  50   4.563 -10.873   2.526
  425   HD13  LEU  50          3HD1      LEU  50   4.283 -11.605   4.107
  426   HD21  LEU  50          3HD2      LEU  50   4.766  -7.394   3.923
  427   HD22  LEU  50          1HD2      LEU  50   4.968  -8.326   2.439
  428   HD23  LEU  50          2HD2      LEU  50   6.149  -8.473   3.741
  429    H    GLU  51           H        GLU  51   0.118  -8.454   2.042
  430    HA   GLU  51           HA       GLU  51  -1.571 -10.629   2.465
  431    HB2  GLU  51           2HB      GLU  51  -1.878  -8.214   0.678
  432    HB3  GLU  51           3HB      GLU  51  -3.158  -9.400   0.890
  433    HG2  GLU  51           2HG      GLU  51  -1.897  -7.860   3.140
  434    HG3  GLU  51           3HG      GLU  51  -3.372  -7.370   2.306
  435    H    PHE  52           H        PHE  52  -0.213  -9.415  -0.576
  436    HA   PHE  52           HA       PHE  52  -1.174 -11.718  -2.040
  437    HB2  PHE  52           2HB      PHE  52   0.662  -9.467  -2.900
  438    HB3  PHE  52           3HB      PHE  52  -0.021 -10.689  -3.968
  439    HD1  PHE  52           HD1      PHE  52  -2.596 -10.845  -4.050
  440    HD2  PHE  52           HD2      PHE  52  -0.468  -7.480  -2.547
  441    HE1  PHE  52           HE1      PHE  52  -4.587  -9.440  -4.394
  442    HE2  PHE  52           HE2      PHE  52  -2.455  -6.067  -2.888
  443    HZ   PHE  52           HZ       PHE  52  -4.520  -7.048  -3.810
  444    H    GLY  53           H        GLY  53   1.596 -10.802  -0.283
  445    HA2  GLY  53           2HA      GLY  53   3.468 -12.562  -1.533
  446    HA3  GLY  53           3HA      GLY  53   3.669 -11.754   0.015
  447    H    GLN  54           H        GLN  54   1.128 -12.896   1.046
  448    HA   GLN  54           HA       GLN  54   2.172 -15.506   1.779
  449    HB2  GLN  54           2HB      GLN  54  -0.239 -13.964   2.740
  450    HB3  GLN  54           3HB      GLN  54   0.189 -15.566   3.321
  451    HG2  GLN  54           2HG      GLN  54   1.804 -13.043   3.617
  452    HG3  GLN  54           3HG      GLN  54   0.956 -13.919   4.888
  453   HE21  GLN  54          1HE2      GLN  54   3.746 -13.837   2.834
  454   HE22  GLN  54          2HE2      GLN  54   4.627 -15.089   3.631
  455    H    LEU  55           H        LEU  55  -0.493 -14.135  -0.064
  456    HA   LEU  55           HA       LEU  55  -1.758 -16.632  -0.598
  457    HB2  LEU  55           2HB      LEU  55  -1.810 -14.044  -2.157
  458    HB3  LEU  55           3HB      LEU  55  -2.849 -15.419  -2.473
  459    HG   LEU  55           HG       LEU  55  -2.832 -13.765   0.054
  460   HD11  LEU  55          1HD1      LEU  55  -3.783 -12.574  -1.836
  461   HD12  LEU  55          2HD1      LEU  55  -5.041 -13.034  -0.689
  462   HD13  LEU  55          3HD1      LEU  55  -4.838 -13.944  -2.185
  463   HD21  LEU  55          3HD2      LEU  55  -3.382 -16.108   0.496
  464   HD22  LEU  55          1HD2      LEU  55  -4.622 -16.054  -0.757
  465   HD23  LEU  55          2HD2      LEU  55  -4.792 -15.068   0.694
  466    H    GLU  56           H        GLU  56   0.838 -14.828  -2.027
  467    HA   GLU  56           HA       GLU  56   2.413 -15.278  -3.565
  468    HB2  GLU  56           2HB      GLU  56   1.771 -18.159  -2.926
  469    HB3  GLU  56           3HB      GLU  56   3.221 -17.579  -3.738
  470    HG2  GLU  56           2HG      GLU  56   3.659 -16.196  -1.671
  471    HG3  GLU  56           3HG      GLU  56   2.387 -17.134  -0.892
  472    H    HIS  57           H        HIS  57   1.138 -14.365  -5.212
  473    HA   HIS  57           HA       HIS  57  -0.355 -16.167  -6.938
  474    HB2  HIS  57           2HB      HIS  57  -1.016 -13.736  -6.286
  475    HB3  HIS  57           3HB      HIS  57   0.169 -13.256  -7.498
  476    HD1  HIS  57           HD1      HIS  57  -2.965 -15.381  -7.236
  477    HD2  HIS  57           HD2      HIS  57  -0.828 -13.159 -10.034
  478    HE1  HIS  57           HE1      HIS  57  -4.389 -15.352  -9.315
  479    HE2  HIS  57           HE2      HIS  57  -3.017 -14.123 -11.036
  480    H    HIS  58           H        HIS  58   2.032 -17.131  -7.006
  481    HA   HIS  58           HA       HIS  58   3.834 -15.881  -8.844
  482    HB2  HIS  58           2HB      HIS  58   5.178 -17.910  -8.642
  483    HB3  HIS  58           3HB      HIS  58   4.667 -17.351  -7.058
  484    HD1  HIS  58           HD1      HIS  58   4.654 -20.281  -9.246
  485    HD2  HIS  58           HD2      HIS  58   2.559 -18.985  -5.892
  486    HE1  HIS  58           HE1      HIS  58   3.539 -22.327  -8.310
  487    HE2  HIS  58           HE2      HIS  58   2.157 -21.501  -6.374
  488    H    HIS  59           H        HIS  59   4.595 -16.969 -10.857
  489    HA   HIS  59           HA       HIS  59   2.439 -18.378 -12.238
  490    HB2  HIS  59           2HB      HIS  59   2.569 -16.849 -14.178
  491    HB3  HIS  59           3HB      HIS  59   1.962 -16.066 -12.728
  492    HD1  HIS  59           HD1      HIS  59   4.184 -15.490 -15.440
  493    HD2  HIS  59           HD2      HIS  59   4.205 -14.548 -11.390
  494    HE1  HIS  59           HE1      HIS  59   5.782 -13.565 -15.200
  495    HE2  HIS  59           HE2      HIS  59   5.585 -12.875 -12.785
  496    H    HIS  60           H        HIS  60   3.371 -18.475 -14.764
  497    HA   HIS  60           HA       HIS  60   5.137 -20.656 -14.423
  498    HB2  HIS  60           2HB      HIS  60   4.234 -19.292 -16.964
  499    HB3  HIS  60           3HB      HIS  60   5.065 -20.839 -16.889
  500    HD1  HIS  60           HD1      HIS  60   1.832 -19.633 -17.397
  501    HD2  HIS  60           HD2      HIS  60   3.408 -22.606 -14.947
  502    HE1  HIS  60           HE1      HIS  60  -0.100 -21.137 -16.821
  503    HE2  HIS  60           HE2      HIS  60   0.845 -22.820 -15.194
  504    H    HIS  61           H        HIS  61   7.203 -20.492 -13.995
  505    HA   HIS  61           HA       HIS  61   9.405 -19.992 -14.141
  506    HB2  HIS  61           2HB      HIS  61   8.671 -19.431 -17.019
  507    HB3  HIS  61           3HB      HIS  61  10.315 -19.603 -16.420
  508    HD1  HIS  61           HD1      HIS  61   8.440 -21.451 -18.460
  509    HD2  HIS  61           HD2      HIS  61   9.921 -22.355 -14.678
  510    HE1  HIS  61           HE1      HIS  61   8.501 -23.962 -18.335
  511    HE2  HIS  61           HE2      HIS  61   9.598 -24.479 -16.127
  512    H    HIS  62           H        HIS  62   8.880 -18.121 -12.735
  513    HA   HIS  62           HA       HIS  62  10.528 -15.996 -13.434
  514    HB2  HIS  62           2HB      HIS  62   8.523 -15.411 -14.906
  515    HB3  HIS  62           3HB      HIS  62   7.639 -15.101 -13.415
  516    HD1  HIS  62           HD1      HIS  62  10.018 -13.596 -15.770
  517    HD2  HIS  62           HD2      HIS  62   8.676 -12.853 -11.902
  518    HE1  HIS  62           HE1      HIS  62  10.747 -11.250 -15.238
  519    HE2  HIS  62           HE2      HIS  62   9.769 -10.756 -12.971
  Start of MODEL   19
    1    H1   MET   1           1H       MET   1 -10.474   9.245  -3.347
    2    H2   MET   1           2H       MET   1 -11.665   8.256  -4.044
    3    H3   MET   1           3H       MET   1 -10.803   9.348  -5.010
    4    HA   MET   1           HA       MET   1  -9.705   6.974  -3.627
    5    HB2  MET   1           2HB      MET   1 -11.149   6.791  -5.802
    6    HB3  MET   1           3HB      MET   1  -9.730   7.455  -6.596
    7    HG2  MET   1           2HG      MET   1  -8.394   5.590  -5.873
    8    HG3  MET   1           3HG      MET   1  -9.736   4.954  -4.923
    9    HE1  MET   1           3HE      MET   1  -9.671   2.256  -7.662
   10    HE2  MET   1           1HE      MET   1  -9.833   2.595  -5.939
   11    HE3  MET   1           2HE      MET   1  -8.331   2.986  -6.775
   12    H    ASN   2           H        ASN   2  -7.431   6.529  -4.442
   13    HA   ASN   2           HA       ASN   2  -5.260   7.150  -4.567
   14    HB2  ASN   2           2HB      ASN   2  -6.395   9.584  -5.951
   15    HB3  ASN   2           3HB      ASN   2  -4.670   9.301  -5.750
   16   HD21  ASN   2          1HD2      ASN   2  -6.323   9.513  -8.154
   17   HD22  ASN   2          2HD2      ASN   2  -6.040   8.049  -9.041
   18    H    LEU   3           H        LEU   3  -5.169   7.185  -2.336
   19    HA   LEU   3           HA       LEU   3  -5.718   9.586  -0.860
   20    HB2  LEU   3           2HB      LEU   3  -4.368   7.028  -0.006
   21    HB3  LEU   3           3HB      LEU   3  -4.927   8.298   1.067
   22    HG   LEU   3           HG       LEU   3  -6.660   6.550  -0.678
   23   HD11  LEU   3          1HD1      LEU   3  -6.349   6.708   2.313
   24   HD12  LEU   3          2HD1      LEU   3  -5.780   5.399   1.277
   25   HD13  LEU   3          3HD1      LEU   3  -7.509   5.699   1.450
   26   HD21  LEU   3          3HD2      LEU   3  -7.424   8.752   1.235
   27   HD22  LEU   3          1HD2      LEU   3  -8.544   7.672   0.405
   28   HD23  LEU   3          2HD2      LEU   3  -7.564   8.810  -0.521
   29    H    ARG   4           H        ARG   4  -3.839  10.083   0.874
   30    HA   ARG   4           HA       ARG   4  -1.668  11.076  -0.773
   31    HB2  ARG   4           2HB      ARG   4  -2.648  12.640   0.776
   32    HB3  ARG   4           3HB      ARG   4  -2.378  11.546   2.127
   33    HG2  ARG   4           2HG      ARG   4  -0.006  11.836   1.965
   34    HG3  ARG   4           3HG      ARG   4  -0.178  12.773   0.479
   35    HD2  ARG   4           2HD      ARG   4  -1.156  14.587   1.615
   36    HD3  ARG   4           3HD      ARG   4  -1.450  13.628   3.064
   37    HE   ARG   4           HE       ARG   4   1.177  13.531   3.021
   38   HH11  ARG   4          1HH1      ARG   4  -0.893  16.270   2.300
   39   HH12  ARG   4          2HH1      ARG   4   0.258  17.444   2.870
   40   HH21  ARG   4          1HH2      ARG   4   2.676  15.067   3.798
   41   HH22  ARG   4          2HH2      ARG   4   2.279  16.761   3.737
   42    H    TRP   5           H        TRP   5   0.204  10.111  -0.980
   43    HA   TRP   5           HA       TRP   5   0.814   7.843   0.748
   44    HB2  TRP   5           2HB      TRP   5   1.998   8.715  -1.900
   45    HB3  TRP   5           3HB      TRP   5   2.512   7.293  -0.999
   46    HD1  TRP   5           HD1      TRP   5  -0.660   8.641  -2.776
   47    HE1  TRP   5           HE1      TRP   5  -2.013   6.624  -3.614
   48    HE3  TRP   5           HE3      TRP   5   2.208   4.887  -0.839
   49    HZ2  TRP   5           HZ2      TRP   5  -1.882   3.805  -3.473
   50    HZ3  TRP   5           HZ3      TRP   5   1.529   2.557  -1.241
   51    HH2  TRP   5           HH2      TRP   5  -0.473   2.028  -2.533
   52    H    THR   6           H        THR   6   2.293   7.999   2.301
   53    HA   THR   6           HA       THR   6   3.972  10.254   2.663
   54    HB   THR   6           HB       THR   6   5.212   8.750   4.285
   55    HG1  THR   6           HG1      THR   6   3.111   6.903   4.031
   56   HG21  THR   6          3HG2      THR   6   3.387  10.169   5.037
   57   HG22  THR   6          1HG2      THR   6   3.349   8.624   5.886
   58   HG23  THR   6          2HG2      THR   6   2.215   8.934   4.571
   59    H    SER   7           H        SER   7   6.363  10.232   2.558
   60    HA   SER   7           HA       SER   7   7.311   9.505   0.045
   61    HB2  SER   7           2HB      SER   7   9.618   9.803   1.297
   62    HB3  SER   7           3HB      SER   7   8.555  11.186   1.024
   63    HG   SER   7           HG       SER   7   9.032   9.733   3.405
   64    H    GLU   8           H        GLU   8   7.536   7.845   3.136
   65    HA   GLU   8           HA       GLU   8   9.257   5.759   2.295
   66    HB2  GLU   8           2HB      GLU   8   7.244   5.862   4.551
   67    HB3  GLU   8           3HB      GLU   8   8.423   4.578   4.331
   68    HG2  GLU   8           2HG      GLU   8   9.182   6.112   6.015
   69    HG3  GLU   8           3HG      GLU   8  10.231   6.215   4.604
   70    H    ALA   9           H        ALA   9   5.752   6.102   2.464
   71    HA   ALA   9           HA       ALA   9   5.054   3.489   1.715
   72    HB1  ALA   9           3HB      ALA   9   2.874   4.410   1.141
   73    HB2  ALA   9           1HB      ALA   9   3.538   6.043   1.199
   74    HB3  ALA   9           2HB      ALA   9   3.455   5.072   2.669
   75    H    LYS  10           H        LYS  10   5.739   6.376  -0.211
   76    HA   LYS  10           HA       LYS  10   5.073   5.292  -2.721
   77    HB2  LYS  10           2HB      LYS  10   7.117   7.421  -2.052
   78    HB3  LYS  10           3HB      LYS  10   6.494   7.086  -3.662
   79    HG2  LYS  10           2HG      LYS  10   4.231   7.670  -2.864
   80    HG3  LYS  10           3HG      LYS  10   4.926   8.096  -1.298
   81    HD2  LYS  10           2HD      LYS  10   6.338   9.783  -2.430
   82    HD3  LYS  10           3HD      LYS  10   5.543   9.387  -3.957
   83    HE2  LYS  10           2HE      LYS  10   3.369   9.997  -2.896
   84    HE3  LYS  10           3HE      LYS  10   4.266  10.546  -1.481
   85    HZ1  LYS  10           3HZ      LYS  10   5.472  12.088  -3.009
   86    HZ2  LYS  10           1HZ      LYS  10   3.817  12.425  -2.829
   87    HZ3  LYS  10           2HZ      LYS  10   4.374  11.653  -4.230
   88    H    THR  11           H        THR  11   8.110   5.342  -0.898
   89    HA   THR  11           HA       THR  11   9.697   4.056  -2.844
   90    HB   THR  11           HB       THR  11  10.077   3.849   0.149
   91    HG1  THR  11           HG1      THR  11  10.241   6.029  -1.566
   92   HG21  THR  11          3HG2      THR  11  12.461   3.783  -0.456
   93   HG22  THR  11          1HG2      THR  11  12.024   3.860  -2.163
   94   HG23  THR  11          2HG2      THR  11  11.570   2.456  -1.198
   95    H    LYS  12           H        LYS  12   7.827   2.798  -0.095
   96    HA   LYS  12           HA       LYS  12   8.472   0.080  -0.447
   97    HB2  LYS  12           2HB      LYS  12   6.224   1.520   0.919
   98    HB3  LYS  12           3HB      LYS  12   6.204  -0.234   0.787
   99    HG2  LYS  12           2HG      LYS  12   8.467   1.330   2.005
  100    HG3  LYS  12           3HG      LYS  12   7.128   0.640   2.926
  101    HD2  LYS  12           2HD      LYS  12   7.730  -1.597   2.087
  102    HD3  LYS  12           3HD      LYS  12   9.086  -0.892   1.207
  103    HE2  LYS  12           2HE      LYS  12  10.115  -0.185   3.271
  104    HE3  LYS  12           3HE      LYS  12   8.718  -0.730   4.195
  105    HZ1  LYS  12           3HZ      LYS  12  10.596  -2.291   4.267
  106    HZ2  LYS  12           1HZ      LYS  12  10.474  -2.511   2.590
  107    HZ3  LYS  12           2HZ      LYS  12   9.202  -2.991   3.603
  108    H    LEU  13           H        LEU  13   5.947   2.090  -1.855
  109    HA   LEU  13           HA       LEU  13   4.493   0.024  -3.104
  110    HB2  LEU  13           2HB      LEU  13   3.730   2.392  -2.846
  111    HB3  LEU  13           3HB      LEU  13   4.875   2.856  -4.088
  112    HG   LEU  13           HG       LEU  13   3.671   1.400  -5.700
  113   HD11  LEU  13          1HD1      LEU  13   1.653   1.125  -3.476
  114   HD12  LEU  13          2HD1      LEU  13   2.701  -0.162  -4.077
  115   HD13  LEU  13          3HD1      LEU  13   1.473   0.539  -5.131
  116   HD21  LEU  13          3HD2      LEU  13   3.186   3.776  -5.600
  117   HD22  LEU  13          1HD2      LEU  13   1.999   3.499  -4.329
  118   HD23  LEU  13          2HD2      LEU  13   1.719   2.862  -5.948
  119    H    LYS  14           H        LYS  14   7.400   1.752  -3.960
  120    HA   LYS  14           HA       LYS  14   7.580   0.776  -6.633
  121    HB2  LYS  14           2HB      LYS  14   9.614   2.028  -4.788
  122    HB3  LYS  14           3HB      LYS  14   9.947   1.613  -6.467
  123    HG2  LYS  14           2HG      LYS  14   8.320   3.174  -7.249
  124    HG3  LYS  14           3HG      LYS  14   7.740   3.465  -5.607
  125    HD2  LYS  14           2HD      LYS  14   9.857   4.476  -5.003
  126    HD3  LYS  14           3HD      LYS  14  10.518   4.108  -6.599
  127    HE2  LYS  14           2HE      LYS  14   8.095   5.840  -6.153
  128    HE3  LYS  14           3HE      LYS  14   9.737   6.472  -6.281
  129    HZ1  LYS  14           3HZ      LYS  14   9.910   5.717  -8.496
  130    HZ2  LYS  14           1HZ      LYS  14   8.403   6.491  -8.384
  131    HZ3  LYS  14           2HZ      LYS  14   8.489   4.798  -8.391
  132    H    ASN  15           H        ASN  15   8.035  -0.719  -3.653
  133    HA   ASN  15           HA       ASN  15  10.084  -2.577  -4.495
  134    HB2  ASN  15           2HB      ASN  15   8.232  -2.499  -2.112
  135    HB3  ASN  15           3HB      ASN  15   9.276  -3.874  -2.432
  136   HD21  ASN  15          1HD2      ASN  15  10.134  -0.503  -3.001
  137   HD22  ASN  15          2HD2      ASN  15  11.349  -0.425  -1.768
  138    H    ILE  16           H        ILE  16   6.686  -2.239  -4.812
  139    HA   ILE  16           HA       ILE  16   6.156  -5.075  -5.074
  140    HB   ILE  16           HB       ILE  16   4.275  -2.793  -5.692
  141   HG12  ILE  16          2HG1      ILE  16   4.695  -4.236  -3.062
  142   HG13  ILE  16          3HG1      ILE  16   5.179  -2.578  -3.402
  143   HG21  ILE  16          1HG2      ILE  16   2.533  -4.453  -5.207
  144   HG22  ILE  16          2HG2      ILE  16   3.777  -5.674  -4.939
  145   HG23  ILE  16          3HG2      ILE  16   3.569  -4.963  -6.542
  146   HD11  ILE  16          3HD1      ILE  16   2.814  -1.995  -3.751
  147   HD12  ILE  16          1HD1      ILE  16   3.144  -2.596  -2.126
  148   HD13  ILE  16          2HD1      ILE  16   2.369  -3.646  -3.314
  149    HA   PRO  17           HA       PRO  17   7.125  -5.362  -9.442
  150    HB2  PRO  17           2HB      PRO  17   5.078  -7.519  -9.232
  151    HB3  PRO  17           3HB      PRO  17   6.696  -7.569  -9.939
  152    HG2  PRO  17           2HG      PRO  17   6.217  -8.679  -7.566
  153    HG3  PRO  17           3HG      PRO  17   7.732  -7.814  -7.881
  154    HD2  PRO  17           2HD      PRO  17   5.344  -6.949  -6.313
  155    HD3  PRO  17           3HD      PRO  17   7.065  -6.615  -6.029
  156    H    PHE  18           H        PHE  18   6.161  -4.650 -11.317
  157    HA   PHE  18           HA       PHE  18   3.994  -2.908 -11.058
  158    HB2  PHE  18           2HB      PHE  18   4.071  -2.653 -13.482
  159    HB3  PHE  18           3HB      PHE  18   5.700  -2.683 -12.817
  160    HD1  PHE  18           HD2      PHE  18   3.237  -4.496 -14.836
  161    HD2  PHE  18           HD1      PHE  18   7.211  -4.488 -13.317
  162    HE1  PHE  18           HE2      PHE  18   3.841  -6.279 -16.416
  163    HE2  PHE  18           HE1      PHE  18   7.822  -6.268 -14.899
  164    HZ   PHE  18           HZ       PHE  18   6.135  -7.167 -16.451
  165    H    PHE  19           H        PHE  19   4.055  -6.284 -11.823
  166    HA   PHE  19           HA       PHE  19   1.547  -6.521 -13.075
  167    HB2  PHE  19           2HB      PHE  19   3.190  -8.296 -13.211
  168    HB3  PHE  19           3HB      PHE  19   3.151  -8.520 -11.467
  169    HD1  PHE  19           HD1      PHE  19   1.038  -8.748 -14.511
  170    HD2  PHE  19           HD2      PHE  19   1.691 -10.050 -10.510
  171    HE1  PHE  19           HE1      PHE  19  -0.723 -10.443 -14.779
  172    HE2  PHE  19           HE2      PHE  19  -0.068 -11.749 -10.770
  173    HZ   PHE  19           HZ       PHE  19  -1.281 -11.948 -12.907
  174    H    ALA  20           H        ALA  20   2.468  -6.291  -9.714
  175    HA   ALA  20           HA       ALA  20  -0.326  -6.846  -8.939
  176    HB1  ALA  20           3HB      ALA  20   2.188  -7.374  -7.355
  177    HB2  ALA  20           1HB      ALA  20   1.187  -8.585  -8.160
  178    HB3  ALA  20           2HB      ALA  20   0.537  -7.665  -6.801
  179    H    ARG  21           H        ARG  21   1.896  -4.394  -9.210
  180    HA   ARG  21           HA       ARG  21   1.766  -3.161  -6.682
  181    HB2  ARG  21           2HB      ARG  21   3.478  -2.661  -8.417
  182    HB3  ARG  21           3HB      ARG  21   2.248  -1.791  -9.325
  183    HG2  ARG  21           2HG      ARG  21   1.945  -0.260  -7.432
  184    HG3  ARG  21           3HG      ARG  21   3.213  -1.114  -6.554
  185    HD2  ARG  21           2HD      ARG  21   3.550   0.344  -9.171
  186    HD3  ARG  21           3HD      ARG  21   4.047   0.932  -7.586
  187    HE   ARG  21           HE       ARG  21   5.240  -1.574  -8.091
  188   HH11  ARG  21          1HH1      ARG  21   5.407   1.789  -9.046
  189   HH12  ARG  21          2HH1      ARG  21   7.093   1.726  -9.460
  190   HH21  ARG  21          1HH2      ARG  21   7.441  -1.688  -8.635
  191   HH22  ARG  21          2HH2      ARG  21   8.260  -0.283  -9.249
  192    H    SER  22           H        SER  22  -0.205  -2.676  -9.598
  193    HA   SER  22           HA       SER  22  -1.633  -0.463  -8.495
  194    HB2  SER  22           2HB      SER  22  -1.427  -0.833 -10.937
  195    HB3  SER  22           3HB      SER  22  -2.418  -2.283 -10.789
  196    HG   SER  22           HG       SER  22  -3.378  -0.040 -11.338
  197    H    GLN  23           H        GLN  23  -2.153  -3.925  -8.690
  198    HA   GLN  23           HA       GLN  23  -4.777  -3.927  -7.620
  199    HB2  GLN  23           2HB      GLN  23  -3.806  -5.788  -8.931
  200    HB3  GLN  23           3HB      GLN  23  -2.691  -6.116  -7.612
  201    HG2  GLN  23           2HG      GLN  23  -4.420  -6.828  -6.194
  202    HG3  GLN  23           3HG      GLN  23  -5.664  -6.190  -7.265
  203   HE21  GLN  23          1HE2      GLN  23  -2.878  -7.904  -8.447
  204   HE22  GLN  23          2HE2      GLN  23  -3.717  -9.332  -8.955
  205    H    ALA  24           H        ALA  24  -1.561  -4.253  -6.207
  206    HA   ALA  24           HA       ALA  24  -2.411  -4.649  -3.537
  207    HB1  ALA  24           3HB      ALA  24  -0.148  -5.197  -4.268
  208    HB2  ALA  24           1HB      ALA  24  -0.121  -4.059  -2.920
  209    HB3  ALA  24           2HB      ALA  24   0.177  -3.489  -4.563
  210    H    LYS  25           H        LYS  25  -1.650  -1.781  -5.441
  211    HA   LYS  25           HA       LYS  25  -1.786   0.142  -3.436
  212    HB2  LYS  25           2HB      LYS  25  -0.981   0.708  -5.630
  213    HB3  LYS  25           3HB      LYS  25  -2.525   0.291  -6.359
  214    HG2  LYS  25           2HG      LYS  25  -3.585   2.175  -5.328
  215    HG3  LYS  25           3HG      LYS  25  -2.126   2.541  -4.404
  216    HD2  LYS  25           2HD      LYS  25  -0.919   3.059  -6.421
  217    HD3  LYS  25           3HD      LYS  25  -2.282   2.541  -7.413
  218    HE2  LYS  25           2HE      LYS  25  -2.370   4.830  -5.455
  219    HE3  LYS  25           3HE      LYS  25  -2.069   5.008  -7.182
  220    HZ1  LYS  25           3HZ      LYS  25  -4.247   3.922  -7.564
  221    HZ2  LYS  25           1HZ      LYS  25  -4.362   5.412  -6.768
  222    HZ3  LYS  25           2HZ      LYS  25  -4.537   3.971  -5.893
  223    H    ALA  26           H        ALA  26  -4.383  -1.215  -5.443
  224    HA   ALA  26           HA       ALA  26  -6.508   0.281  -4.397
  225    HB1  ALA  26           3HB      ALA  26  -6.540  -2.563  -5.409
  226    HB2  ALA  26           1HB      ALA  26  -6.718  -1.112  -6.394
  227    HB3  ALA  26           2HB      ALA  26  -7.951  -1.526  -5.203
  228    H    ARG  27           H        ARG  27  -5.003  -2.713  -3.298
  229    HA   ARG  27           HA       ARG  27  -6.721  -3.236  -1.118
  230    HB2  ARG  27           2HB      ARG  27  -5.113  -4.860  -2.100
  231    HB3  ARG  27           3HB      ARG  27  -3.790  -3.932  -1.416
  232    HG2  ARG  27           2HG      ARG  27  -4.179  -5.817  -0.021
  233    HG3  ARG  27           3HG      ARG  27  -4.729  -4.381   0.844
  234    HD2  ARG  27           2HD      ARG  27  -7.029  -4.870   0.260
  235    HD3  ARG  27           3HD      ARG  27  -6.512  -6.250  -0.711
  236    HE   ARG  27           HE       ARG  27  -5.574  -7.062   1.561
  237   HH11  ARG  27          1HH1      ARG  27  -8.551  -5.310   1.072
  238   HH12  ARG  27          2HH1      ARG  27  -9.317  -5.946   2.495
  239   HH21  ARG  27          1HH2      ARG  27  -6.569  -7.955   3.384
  240   HH22  ARG  27          2HH2      ARG  27  -8.197  -7.481   3.806
  241    H    ILE  28           H        ILE  28  -3.681  -1.440  -1.380
  242    HA   ILE  28           HA       ILE  28  -3.323  -0.793   1.320
  243    HB   ILE  28           HB       ILE  28  -2.514   0.812  -1.113
  244   HG12  ILE  28          2HG1      ILE  28  -0.845  -1.110   0.510
  245   HG13  ILE  28          3HG1      ILE  28  -1.711  -1.592  -0.943
  246   HG21  ILE  28          1HG2      ILE  28  -2.454   2.144   0.943
  247   HG22  ILE  28          2HG2      ILE  28  -0.831   1.827   0.329
  248   HG23  ILE  28          3HG2      ILE  28  -1.445   0.915   1.706
  249   HD11  ILE  28          3HD1      ILE  28   0.601  -1.143  -1.446
  250   HD12  ILE  28          1HD1      ILE  28   0.464   0.479  -0.765
  251   HD13  ILE  28          2HD1      ILE  28  -0.429   0.057  -2.227
  252    H    GLU  29           H        GLU  29  -4.912   1.070  -1.270
  253    HA   GLU  29           HA       GLU  29  -5.661   3.288   0.237
  254    HB2  GLU  29           2HB      GLU  29  -7.014   1.996  -2.136
  255    HB3  GLU  29           3HB      GLU  29  -7.513   3.541  -1.459
  256    HG2  GLU  29           2HG      GLU  29  -5.279   4.449  -1.918
  257    HG3  GLU  29           3HG      GLU  29  -4.815   2.911  -2.644
  258    H    GLN  30           H        GLN  30  -7.254   0.167  -0.169
  259    HA   GLN  30           HA       GLN  30  -9.625   0.876   1.231
  260    HB2  GLN  30           2HB      GLN  30  -9.299  -1.078  -0.384
  261    HB3  GLN  30           3HB      GLN  30  -8.531  -1.919   0.954
  262    HG2  GLN  30           2HG      GLN  30 -10.553  -1.809   2.251
  263    HG3  GLN  30           3HG      GLN  30 -11.334  -0.823   1.014
  264   HE21  GLN  30          1HE2      GLN  30 -10.403  -3.995   1.976
  265   HE22  GLN  30          2HE2      GLN  30 -11.185  -4.846   0.685
  266    H    LEU  31           H        LEU  31  -6.582  -0.652   2.162
  267    HA   LEU  31           HA       LEU  31  -7.257  -1.293   4.819
  268    HB2  LEU  31           2HB      LEU  31  -4.581  -0.617   3.596
  269    HB3  LEU  31           3HB      LEU  31  -4.789  -1.267   5.210
  270    HG   LEU  31           HG       LEU  31  -5.661  -2.690   2.693
  271   HD11  LEU  31          1HD1      LEU  31  -3.693  -4.104   3.021
  272   HD12  LEU  31          2HD1      LEU  31  -3.169  -3.062   4.348
  273   HD13  LEU  31          3HD1      LEU  31  -3.248  -2.426   2.704
  274   HD21  LEU  31          3HD2      LEU  31  -5.329  -3.685   5.523
  275   HD22  LEU  31          1HD2      LEU  31  -5.844  -4.636   4.131
  276   HD23  LEU  31          2HD2      LEU  31  -6.869  -3.335   4.736
  277    H    ALA  32           H        ALA  32  -5.962   1.645   3.361
  278    HA   ALA  32           HA       ALA  32  -5.454   3.027   5.771
  279    HB1  ALA  32           3HB      ALA  32  -4.488   3.700   3.630
  280    HB2  ALA  32           1HB      ALA  32  -5.356   5.034   4.393
  281    HB3  ALA  32           2HB      ALA  32  -6.089   4.157   3.051
  282    H    ARG  33           H        ARG  33  -8.330   2.732   3.750
  283    HA   ARG  33           HA       ARG  33  -9.872   4.658   5.151
  284    HB2  ARG  33           2HB      ARG  33 -10.767   2.264   3.535
  285    HB3  ARG  33           3HB      ARG  33 -11.819   3.564   4.087
  286    HG2  ARG  33           2HG      ARG  33 -10.609   5.164   2.744
  287    HG3  ARG  33           3HG      ARG  33  -9.455   3.922   2.257
  288    HD2  ARG  33           2HD      ARG  33 -11.409   2.661   1.278
  289    HD3  ARG  33           3HD      ARG  33 -12.379   4.106   1.562
  290    HE   ARG  33           HE       ARG  33 -10.813   5.289   0.073
  291   HH11  ARG  33          1HH1      ARG  33 -11.137   1.813  -0.155
  292   HH12  ARG  33          2HH1      ARG  33 -10.436   1.715  -1.747
  293   HH21  ARG  33          1HH2      ARG  33  -9.915   5.181  -2.032
  294   HH22  ARG  33          2HH2      ARG  33  -9.746   3.636  -2.812
  295    H    GLN  34           H        GLN  34  -9.137   1.291   5.710
  296    HA   GLN  34           HA       GLN  34 -11.080   0.937   7.791
  297    HB2  GLN  34           2HB      GLN  34  -8.578  -0.664   7.212
  298    HB3  GLN  34           3HB      GLN  34  -9.899  -1.158   8.262
  299    HG2  GLN  34           2HG      GLN  34 -11.412  -1.073   6.299
  300    HG3  GLN  34           3HG      GLN  34 -10.007  -0.744   5.288
  301   HE21  GLN  34          1HE2      GLN  34  -8.309  -2.514   6.936
  302   HE22  GLN  34          2HE2      GLN  34  -8.744  -4.126   6.473
  303    H    ALA  35           H        ALA  35  -7.749   1.979   7.591
  304    HA   ALA  35           HA       ALA  35  -7.412   2.237  10.435
  305    HB1  ALA  35           3HB      ALA  35  -5.482   1.962   8.945
  306    HB2  ALA  35           1HB      ALA  35  -5.370   3.460   9.870
  307    HB3  ALA  35           2HB      ALA  35  -5.858   3.503   8.175
  308    H    GLU  36           H        GLU  36  -9.111   3.856   8.071
  309    HA   GLU  36           HA       GLU  36 -10.460   5.655   8.070
  310    HB2  GLU  36           2HB      GLU  36  -9.896   5.601  11.033
  311    HB3  GLU  36           3HB      GLU  36 -11.070   6.670  10.276
  312    HG2  GLU  36           2HG      GLU  36 -12.266   4.692   9.412
  313    HG3  GLU  36           3HG      GLU  36 -11.123   3.661  10.269
  314    H    GLN  37           H        GLN  37  -7.961   6.089   7.194
  315    HA   GLN  37           HA       GLN  37  -7.733   8.937   7.712
  316    HB2  GLN  37           2HB      GLN  37  -5.264   8.821   7.937
  317    HB3  GLN  37           3HB      GLN  37  -6.107   8.050   9.274
  318    HG2  GLN  37           2HG      GLN  37  -5.721   5.857   8.168
  319    HG3  GLN  37           3HG      GLN  37  -4.740   6.694   6.964
  320   HE21  GLN  37          1HE2      GLN  37  -2.872   5.603   7.524
  321   HE22  GLN  37          2HE2      GLN  37  -2.033   5.882   9.007
  322    H    ASP  38           H        ASP  38  -6.337   9.998   6.056
  323    HA   ASP  38           HA       ASP  38  -6.666   8.611   3.482
  324    HB2  ASP  38           2HB      ASP  38  -6.261  11.536   4.134
  325    HB3  ASP  38           3HB      ASP  38  -6.331  10.892   2.498
  326    H    ILE  39           H        ILE  39  -4.389   9.033   5.734
  327    HA   ILE  39           HA       ILE  39  -2.155   9.396   3.870
  328    HB   ILE  39           HB       ILE  39  -2.070   9.175   6.882
  329   HG12  ILE  39          2HG1      ILE  39  -3.383  11.135   6.267
  330   HG13  ILE  39          3HG1      ILE  39  -1.822  11.623   6.915
  331   HG21  ILE  39          1HG2      ILE  39   0.034   8.646   5.815
  332   HG22  ILE  39          2HG2      ILE  39   0.151  10.205   6.633
  333   HG23  ILE  39          3HG2      ILE  39  -0.034  10.140   4.880
  334   HD11  ILE  39          3HD1      ILE  39  -1.009  12.034   4.660
  335   HD12  ILE  39          1HD1      ILE  39  -2.461  12.975   5.004
  336   HD13  ILE  39          2HD1      ILE  39  -2.565  11.526   4.004
  337    H    VAL  40           H        VAL  40  -1.172   7.599   3.105
  338    HA   VAL  40           HA       VAL  40  -1.521   5.115   4.618
  339    HB   VAL  40           HB       VAL  40  -0.766   3.907   2.676
  340   HG11  VAL  40          1HG1      VAL  40  -3.109   4.511   2.704
  341   HG12  VAL  40          2HG1      VAL  40  -2.496   4.520   1.051
  342   HG13  VAL  40          3HG1      VAL  40  -2.746   6.041   1.907
  343   HG21  VAL  40          3HG2      VAL  40  -0.166   5.026   0.584
  344   HG22  VAL  40          1HG2      VAL  40   0.955   5.421   1.889
  345   HG23  VAL  40          2HG2      VAL  40  -0.278   6.586   1.399
  346    H    THR  41           H        THR  41   0.071   4.205   5.717
  347    HA   THR  41           HA       THR  41   2.702   5.458   5.659
  348    HB   THR  41           HB       THR  41   3.107   3.990   7.679
  349    HG1  THR  41           HG1      THR  41   1.191   3.062   8.615
  350   HG21  THR  41          3HG2      THR  41   1.680   5.322   9.189
  351   HG22  THR  41          1HG2      THR  41   0.752   5.880   7.796
  352   HG23  THR  41          2HG2      THR  41   2.453   6.319   7.957
  353    HA   PRO  42           HA       PRO  42   4.729   2.187   3.459
  354    HB2  PRO  42           2HB      PRO  42   6.779   1.487   5.185
  355    HB3  PRO  42           3HB      PRO  42   6.833   2.845   4.060
  356    HG2  PRO  42           2HG      PRO  42   6.184   2.829   6.980
  357    HG3  PRO  42           3HG      PRO  42   7.155   3.992   6.054
  358    HD2  PRO  42           2HD      PRO  42   4.642   4.557   6.772
  359    HD3  PRO  42           3HD      PRO  42   5.273   5.059   5.189
  360    H    GLU  43           H        GLU  43   3.834   1.715   6.780
  361    HA   GLU  43           HA       GLU  43   4.048  -1.053   7.043
  362    HB2  GLU  43           2HB      GLU  43   3.556   0.445   8.919
  363    HB3  GLU  43           3HB      GLU  43   1.995   0.833   8.215
  364    HG2  GLU  43           2HG      GLU  43   1.396  -1.587   8.437
  365    HG3  GLU  43           3HG      GLU  43   2.889  -1.799   9.352
  366    H    LEU  44           H        LEU  44   1.206   0.888   6.107
  367    HA   LEU  44           HA       LEU  44  -0.478  -1.296   5.585
  368    HB2  LEU  44           2HB      LEU  44  -0.518   1.596   4.844
  369    HB3  LEU  44           3HB      LEU  44  -1.657   0.507   4.082
  370    HG   LEU  44           HG       LEU  44  -2.569  -0.103   6.274
  371   HD11  LEU  44          1HD1      LEU  44  -1.921   1.115   8.281
  372   HD12  LEU  44          2HD1      LEU  44  -0.659   1.954   7.379
  373   HD13  LEU  44          3HD1      LEU  44  -0.555   0.212   7.625
  374   HD21  LEU  44          3HD2      LEU  44  -3.623   2.050   6.791
  375   HD22  LEU  44          1HD2      LEU  44  -3.573   1.737   5.056
  376   HD23  LEU  44          2HD2      LEU  44  -2.429   2.867   5.781
  377    H    VAL  45           H        VAL  45   1.691   0.531   3.502
  378    HA   VAL  45           HA       VAL  45   0.949  -0.599   1.041
  379    HB   VAL  45           HB       VAL  45   3.695   0.364   1.877
  380   HG11  VAL  45          1HG1      VAL  45   3.708  -0.982  -0.187
  381   HG12  VAL  45          2HG1      VAL  45   4.094   0.712  -0.497
  382   HG13  VAL  45          3HG1      VAL  45   2.489   0.088  -0.878
  383   HG21  VAL  45          3HG2      VAL  45   1.958   2.050   2.232
  384   HG22  VAL  45          1HG2      VAL  45   1.436   1.862   0.555
  385   HG23  VAL  45          2HG2      VAL  45   3.041   2.500   0.914
  386    H    GLU  46           H        GLU  46   3.442  -1.556   3.381
  387    HA   GLU  46           HA       GLU  46   4.283  -3.810   1.856
  388    HB2  GLU  46           2HB      GLU  46   5.756  -2.666   3.462
  389    HB3  GLU  46           3HB      GLU  46   4.721  -3.197   4.780
  390    HG2  GLU  46           2HG      GLU  46   5.327  -5.449   4.486
  391    HG3  GLU  46           3HG      GLU  46   6.062  -5.125   2.915
  392    H    GLN  47           H        GLN  47   2.064  -3.346   4.575
  393    HA   GLN  47           HA       GLN  47   1.483  -5.994   5.165
  394    HB2  GLN  47           2HB      GLN  47  -0.192  -3.497   5.255
  395    HB3  GLN  47           3HB      GLN  47  -0.854  -5.056   5.721
  396    HG2  GLN  47           2HG      GLN  47   1.525  -3.705   6.971
  397    HG3  GLN  47           3HG      GLN  47  -0.097  -3.795   7.654
  398   HE21  GLN  47          1HE2      GLN  47  -0.466  -6.553   6.685
  399   HE22  GLN  47          2HE2      GLN  47   0.460  -7.544   7.763
  400    H    ALA  48           H        ALA  48   0.095  -3.889   2.678
  401    HA   ALA  48           HA       ALA  48  -1.711  -5.836   1.684
  402    HB1  ALA  48           3HB      ALA  48  -1.994  -3.426   1.287
  403    HB2  ALA  48           1HB      ALA  48  -2.001  -4.353  -0.214
  404    HB3  ALA  48           2HB      ALA  48  -0.564  -3.441   0.252
  405    H    ARG  49           H        ARG  49   1.641  -5.051   1.019
  406    HA   ARG  49           HA       ARG  49   1.879  -6.647  -1.322
  407    HB2  ARG  49           2HB      ARG  49   3.536  -4.914  -0.769
  408    HB3  ARG  49           3HB      ARG  49   4.007  -5.815   0.667
  409    HG2  ARG  49           2HG      ARG  49   4.858  -7.616  -0.677
  410    HG3  ARG  49           3HG      ARG  49   4.256  -6.849  -2.148
  411    HD2  ARG  49           2HD      ARG  49   6.641  -6.489  -1.919
  412    HD3  ARG  49           3HD      ARG  49   5.775  -4.964  -1.773
  413    HE   ARG  49           HE       ARG  49   6.050  -5.535   0.772
  414   HH11  ARG  49          1HH1      ARG  49   8.359  -6.087  -1.790
  415   HH12  ARG  49          2HH1      ARG  49   9.752  -5.772  -0.789
  416   HH21  ARG  49          1HH2      ARG  49   7.888  -5.118   2.112
  417   HH22  ARG  49          2HH2      ARG  49   9.478  -5.218   1.425
  418    H    LEU  50           H        LEU  50   2.139  -7.235   2.113
  419    HA   LEU  50           HA       LEU  50   3.018  -9.938   1.835
  420    HB2  LEU  50           2HB      LEU  50   2.267  -8.163   4.049
  421    HB3  LEU  50           3HB      LEU  50   1.886  -9.856   4.315
  422    HG   LEU  50           HG       LEU  50   4.065  -9.375   5.235
  423   HD11  LEU  50          1HD1      LEU  50   5.416 -11.007   3.960
  424   HD12  LEU  50          2HD1      LEU  50   4.199 -10.967   2.681
  425   HD13  LEU  50          3HD1      LEU  50   3.774 -11.568   4.283
  426   HD21  LEU  50          3HD2      LEU  50   4.613  -7.429   3.848
  427   HD22  LEU  50          1HD2      LEU  50   4.839  -8.490   2.456
  428   HD23  LEU  50          2HD2      LEU  50   5.917  -8.617   3.848
  429    H    GLU  51           H        GLU  51  -0.109  -8.361   1.960
  430    HA   GLU  51           HA       GLU  51  -1.780 -10.563   2.289
  431    HB2  GLU  51           2HB      GLU  51  -2.084  -8.188   0.433
  432    HB3  GLU  51           3HB      GLU  51  -3.367  -9.337   0.776
  433    HG2  GLU  51           2HG      GLU  51  -2.012  -7.772   2.942
  434    HG3  GLU  51           3HG      GLU  51  -3.394  -7.147   2.044
  435    H    PHE  52           H        PHE  52  -0.329  -9.268  -0.670
  436    HA   PHE  52           HA       PHE  52  -1.271 -11.502  -2.237
  437    HB2  PHE  52           2HB      PHE  52   0.499  -9.159  -2.949
  438    HB3  PHE  52           3HB      PHE  52  -0.044 -10.380  -4.099
  439    HD1  PHE  52           HD1      PHE  52  -2.491 -10.634  -4.539
  440    HD2  PHE  52           HD2      PHE  52  -0.892  -7.363  -2.339
  441    HE1  PHE  52           HE1      PHE  52  -4.576  -9.377  -4.904
  442    HE2  PHE  52           HE2      PHE  52  -2.975  -6.102  -2.695
  443    HZ   PHE  52           HZ       PHE  52  -4.817  -7.107  -3.979
  444    H    GLY  53           H        GLY  53   1.508 -10.691  -0.412
  445    HA2  GLY  53           2HA      GLY  53   3.323 -12.516  -1.656
  446    HA3  GLY  53           3HA      GLY  53   3.497 -11.796  -0.059
  447    H    GLN  54           H        GLN  54   1.003 -12.722   0.996
  448    HA   GLN  54           HA       GLN  54   1.629 -15.434   1.657
  449    HB2  GLN  54           2HB      GLN  54  -0.864 -13.797   2.176
  450    HB3  GLN  54           3HB      GLN  54  -0.568 -15.395   2.842
  451    HG2  GLN  54           2HG      GLN  54   1.194 -13.013   3.343
  452    HG3  GLN  54           3HG      GLN  54  -0.132 -13.499   4.394
  453   HE21  GLN  54          1HE2      GLN  54   1.119 -13.912   6.144
  454   HE22  GLN  54          2HE2      GLN  54   2.251 -15.227   6.231
  455    H    LEU  55           H        LEU  55  -0.380 -13.815  -0.657
  456    HA   LEU  55           HA       LEU  55  -1.701 -16.263  -1.441
  457    HB2  LEU  55           2HB      LEU  55  -1.783 -13.491  -2.620
  458    HB3  LEU  55           3HB      LEU  55  -2.714 -14.846  -3.226
  459    HG   LEU  55           HG       LEU  55  -2.969 -13.636  -0.471
  460   HD11  LEU  55          1HD1      LEU  55  -3.823 -12.178  -2.243
  461   HD12  LEU  55          2HD1      LEU  55  -5.125 -12.826  -1.245
  462   HD13  LEU  55          3HD1      LEU  55  -4.823 -13.501  -2.845
  463   HD21  LEU  55          3HD2      LEU  55  -3.446 -16.019  -0.459
  464   HD22  LEU  55          1HD2      LEU  55  -4.551 -15.819  -1.818
  465   HD23  LEU  55          2HD2      LEU  55  -4.930 -15.087  -0.260
  466    H    GLU  56           H        GLU  56  -0.423 -14.001  -3.815
  467    HA   GLU  56           HA       GLU  56   0.528 -14.390  -5.834
  468    HB2  GLU  56           2HB      GLU  56   2.191 -16.233  -4.124
  469    HB3  GLU  56           3HB      GLU  56   2.513 -15.990  -5.835
  470    HG2  GLU  56           2HG      GLU  56   2.693 -13.536  -5.348
  471    HG3  GLU  56           3HG      GLU  56   2.622 -13.950  -3.635
  472    H    HIS  57           H        HIS  57  -1.615 -16.246  -4.665
  473    HA   HIS  57           HA       HIS  57  -1.765 -18.040  -6.957
  474    HB2  HIS  57           2HB      HIS  57  -2.221 -18.996  -4.108
  475    HB3  HIS  57           3HB      HIS  57  -2.373 -19.960  -5.571
  476    HD1  HIS  57           HD1      HIS  57  -0.125 -19.357  -2.871
  477    HD2  HIS  57           HD2      HIS  57   0.331 -20.110  -6.940
  478    HE1  HIS  57           HE1      HIS  57   2.233 -20.180  -3.151
  479    HE2  HIS  57           HE2      HIS  57   2.554 -20.385  -5.640
  480    H    HIS  58           H        HIS  58  -4.035 -18.735  -7.283
  481    HA   HIS  58           HA       HIS  58  -5.885 -16.696  -6.551
  482    HB2  HIS  58           2HB      HIS  58  -7.571 -17.967  -7.720
  483    HB3  HIS  58           3HB      HIS  58  -6.092 -17.996  -8.663
  484    HD1  HIS  58           HD1      HIS  58  -8.576 -20.155  -7.052
  485    HD2  HIS  58           HD2      HIS  58  -4.766 -20.562  -8.658
  486    HE1  HIS  58           HE1      HIS  58  -8.252 -22.624  -7.401
  487    HE2  HIS  58           HE2      HIS  58  -6.069 -22.800  -8.639
  488    H    HIS  59           H        HIS  59  -7.470 -16.654  -5.019
  489    HA   HIS  59           HA       HIS  59  -6.924 -17.951  -2.597
  490    HB2  HIS  59           2HB      HIS  59  -8.096 -15.775  -2.800
  491    HB3  HIS  59           3HB      HIS  59  -9.501 -16.606  -3.454
  492    HD1  HIS  59           HD1      HIS  59  -7.903 -15.618  -0.285
  493    HD2  HIS  59           HD2      HIS  59 -10.857 -18.277  -1.527
  494    HE1  HIS  59           HE1      HIS  59  -9.148 -16.277   1.796
  495    HE2  HIS  59           HE2      HIS  59 -11.030 -17.752   0.997
  496    H    HIS  60           H        HIS  60  -9.607 -18.480  -4.878
  497    HA   HIS  60           HA       HIS  60  -9.572 -21.329  -4.342
  498    HB2  HIS  60           2HB      HIS  60 -11.825 -19.559  -3.452
  499    HB3  HIS  60           3HB      HIS  60 -12.188 -21.170  -4.055
  500    HD1  HIS  60           HD1      HIS  60 -12.305 -19.834  -1.030
  501    HD2  HIS  60           HD2      HIS  60  -9.811 -22.815  -2.509
  502    HE1  HIS  60           HE1      HIS  60 -11.553 -21.148   0.976
  503    HE2  HIS  60           HE2      HIS  60  -9.923 -22.843   0.078
  504    H    HIS  61           H        HIS  61 -11.754 -22.178  -5.645
  505    HA   HIS  61           HA       HIS  61 -11.793 -20.646  -8.156
  506    HB2  HIS  61           2HB      HIS  61 -12.590 -22.641  -9.296
  507    HB3  HIS  61           3HB      HIS  61 -11.097 -22.999  -8.446
  508    HD1  HIS  61           HD1      HIS  61 -14.848 -23.529  -8.029
  509    HD2  HIS  61           HD2      HIS  61 -11.221 -25.209  -6.879
  510    HE1  HIS  61           HE1      HIS  61 -15.435 -25.688  -6.892
  511    HE2  HIS  61           HE2      HIS  61 -13.224 -26.785  -6.404
  512    H    HIS  62           H        HIS  62 -13.639 -19.686  -8.792
  513    HA   HIS  62           HA       HIS  62 -16.000 -20.173  -7.105
  514    HB2  HIS  62           2HB      HIS  62 -14.726 -17.983  -6.717
  515    HB3  HIS  62           3HB      HIS  62 -15.308 -17.493  -8.304
  516    HD1  HIS  62           HD1      HIS  62 -17.181 -15.897  -7.960
  517    HD2  HIS  62           HD2      HIS  62 -17.298 -19.051  -5.246
  518    HE1  HIS  62           HE1      HIS  62 -19.243 -15.525  -6.566
  519    HE2  HIS  62           HE2      HIS  62 -19.392 -17.546  -5.069
  Start of MODEL   20
    1    H1   MET   1           1H       MET   1 -10.345   9.227  -3.204
    2    H2   MET   1           2H       MET   1 -11.209   9.934  -4.473
    3    H3   MET   1           3H       MET   1  -9.614  10.430  -4.149
    4    HA   MET   1           HA       MET   1 -10.432   7.734  -5.075
    5    HB2  MET   1           2HB      MET   1  -8.937   9.935  -6.525
    6    HB3  MET   1           3HB      MET   1  -9.256   8.326  -7.156
    7    HG2  MET   1           2HG      MET   1 -11.641   8.771  -7.151
    8    HG3  MET   1           3HG      MET   1 -11.354  10.367  -6.456
    9    HE1  MET   1           3HE      MET   1 -13.070   9.848  -9.124
   10    HE2  MET   1           1HE      MET   1 -12.498  11.188 -10.117
   11    HE3  MET   1           2HE      MET   1 -12.817  11.433  -8.399
   12    H    ASN   2           H        ASN   2  -7.497   9.687  -5.445
   13    HA   ASN   2           HA       ASN   2  -5.919   7.514  -4.341
   14    HB2  ASN   2           2HB      ASN   2  -5.091  10.189  -5.485
   15    HB3  ASN   2           3HB      ASN   2  -3.970   8.965  -4.906
   16   HD21  ASN   2          1HD2      ASN   2  -6.113   9.919  -7.424
   17   HD22  ASN   2          2HD2      ASN   2  -5.658   8.688  -8.560
   18    H    LEU   3           H        LEU   3  -5.082   7.467  -2.361
   19    HA   LEU   3           HA       LEU   3  -5.826   9.595  -0.526
   20    HB2  LEU   3           2HB      LEU   3  -4.536   6.902  -0.100
   21    HB3  LEU   3           3HB      LEU   3  -4.843   8.047   1.195
   22    HG   LEU   3           HG       LEU   3  -6.927   6.713  -0.539
   23   HD11  LEU   3          1HD1      LEU   3  -7.603   5.647   1.547
   24   HD12  LEU   3          2HD1      LEU   3  -6.277   6.446   2.390
   25   HD13  LEU   3          3HD1      LEU   3  -5.932   5.251   1.140
   26   HD21  LEU   3          3HD2      LEU   3  -7.223   8.728   1.684
   27   HD22  LEU   3          1HD2      LEU   3  -8.549   7.819   0.960
   28   HD23  LEU   3          2HD2      LEU   3  -7.631   8.969  -0.014
   29    H    ARG   4           H        ARG   4  -3.964   9.843   1.293
   30    HA   ARG   4           HA       ARG   4  -1.856  11.190  -0.183
   31    HB2  ARG   4           2HB      ARG   4  -2.571  11.194   2.754
   32    HB3  ARG   4           3HB      ARG   4  -1.268  12.143   2.045
   33    HG2  ARG   4           2HG      ARG   4  -2.910  13.276   0.606
   34    HG3  ARG   4           3HG      ARG   4  -4.195  12.360   1.390
   35    HD2  ARG   4           2HD      ARG   4  -3.725  13.391   3.503
   36    HD3  ARG   4           3HD      ARG   4  -2.291  14.182   2.846
   37    HE   ARG   4           HE       ARG   4  -4.666  14.868   1.416
   38   HH11  ARG   4          1HH1      ARG   4  -2.912  15.568   4.364
   39   HH12  ARG   4          2HH1      ARG   4  -3.418  17.230   4.415
   40   HH21  ARG   4          1HH2      ARG   4  -5.332  17.048   1.478
   41   HH22  ARG   4          2HH2      ARG   4  -4.802  18.064   2.790
   42    H    TRP   5           H        TRP   5  -0.174  10.067  -0.727
   43    HA   TRP   5           HA       TRP   5   0.679   7.785   0.858
   44    HB2  TRP   5           2HB      TRP   5   1.459   8.762  -1.890
   45    HB3  TRP   5           3HB      TRP   5   2.243   7.406  -1.095
   46    HD1  TRP   5           HD1      TRP   5  -1.372   8.381  -2.176
   47    HE1  TRP   5           HE1      TRP   5  -2.576   6.225  -2.916
   48    HE3  TRP   5           HE3      TRP   5   2.341   5.019  -1.176
   49    HZ2  TRP   5           HZ2      TRP   5  -1.995   3.461  -3.066
   50    HZ3  TRP   5           HZ3      TRP   5   1.938   2.642  -1.653
   51    HH2  TRP   5           HH2      TRP   5  -0.186   1.882  -2.576
   52    H    THR   6           H        THR   6   2.326   7.859   2.207
   53    HA   THR   6           HA       THR   6   3.975  10.180   2.463
   54    HB   THR   6           HB       THR   6   5.282   8.715   4.073
   55    HG1  THR   6           HG1      THR   6   3.195   6.861   4.052
   56   HG21  THR   6          3HG2      THR   6   3.448   8.579   5.746
   57   HG22  THR   6          1HG2      THR   6   2.301   8.971   4.467
   58   HG23  THR   6          2HG2      THR   6   3.534  10.144   4.932
   59    H    SER   7           H        SER   7   6.288  10.245   2.088
   60    HA   SER   7           HA       SER   7   7.052   9.280  -0.421
   61    HB2  SER   7           2HB      SER   7   8.890  10.154   1.822
   62    HB3  SER   7           3HB      SER   7   9.245  10.172   0.092
   63    HG   SER   7           HG       SER   7   8.586  12.189   0.380
   64    H    GLU   8           H        GLU   8   7.491   8.015   2.804
   65    HA   GLU   8           HA       GLU   8   9.235   5.885   2.178
   66    HB2  GLU   8           2HB      GLU   8   7.173   6.143   4.372
   67    HB3  GLU   8           3HB      GLU   8   8.443   4.927   4.316
   68    HG2  GLU   8           2HG      GLU   8  10.128   6.501   4.672
   69    HG3  GLU   8           3HG      GLU   8   9.075   7.851   4.249
   70    H    ALA   9           H        ALA   9   5.702   6.121   2.368
   71    HA   ALA   9           HA       ALA   9   5.112   3.437   1.776
   72    HB1  ALA   9           3HB      ALA   9   2.869   4.236   1.235
   73    HB2  ALA   9           1HB      ALA   9   3.460   5.897   1.216
   74    HB3  ALA   9           2HB      ALA   9   3.466   4.975   2.720
   75    H    LYS  10           H        LYS  10   5.378   6.291  -0.314
   76    HA   LYS  10           HA       LYS  10   4.747   5.096  -2.745
   77    HB2  LYS  10           2HB      LYS  10   6.659   7.360  -2.142
   78    HB3  LYS  10           3HB      LYS  10   6.106   6.940  -3.759
   79    HG2  LYS  10           2HG      LYS  10   3.831   7.451  -3.163
   80    HG3  LYS  10           3HG      LYS  10   4.297   7.729  -1.487
   81    HD2  LYS  10           2HD      LYS  10   4.020   9.849  -2.596
   82    HD3  LYS  10           3HD      LYS  10   5.727   9.601  -2.235
   83    HE2  LYS  10           2HE      LYS  10   6.141   8.936  -4.534
   84    HE3  LYS  10           3HE      LYS  10   4.425   9.083  -4.908
   85    HZ1  LYS  10           3HZ      LYS  10   6.265  11.282  -4.137
   86    HZ2  LYS  10           1HZ      LYS  10   4.588  11.459  -4.333
   87    HZ3  LYS  10           2HZ      LYS  10   5.555  11.036  -5.656
   88    H    THR  11           H        THR  11   7.856   5.242  -1.050
   89    HA   THR  11           HA       THR  11   9.357   4.011  -3.112
   90    HB   THR  11           HB       THR  11   9.956   3.979  -0.146
   91    HG1  THR  11           HG1      THR  11  10.043   6.086  -0.486
   92   HG21  THR  11          3HG2      THR  11  12.290   3.773  -0.877
   93   HG22  THR  11          1HG2      THR  11  11.761   3.725  -2.558
   94   HG23  THR  11          2HG2      THR  11  11.317   2.422  -1.457
   95    H    LYS  12           H        LYS  12   7.754   2.729  -0.204
   96    HA   LYS  12           HA       LYS  12   8.428   0.037  -0.505
   97    HB2  LYS  12           2HB      LYS  12   5.923   1.300   0.609
   98    HB3  LYS  12           3HB      LYS  12   6.283  -0.414   0.734
   99    HG2  LYS  12           2HG      LYS  12   8.093   1.727   1.813
  100    HG3  LYS  12           3HG      LYS  12   6.804   0.978   2.756
  101    HD2  LYS  12           2HD      LYS  12   7.851  -1.234   2.338
  102    HD3  LYS  12           3HD      LYS  12   9.182  -0.413   1.515
  103    HE2  LYS  12           2HE      LYS  12   9.720   0.796   3.550
  104    HE3  LYS  12           3HE      LYS  12   8.346   0.067   4.375
  105    HZ1  LYS  12           3HZ      LYS  12  10.341  -1.064   4.996
  106    HZ2  LYS  12           1HZ      LYS  12  10.767  -1.339   3.380
  107    HZ3  LYS  12           2HZ      LYS  12   9.412  -2.120   4.046
  108    H    LEU  13           H        LEU  13   5.851   1.937  -1.974
  109    HA   LEU  13           HA       LEU  13   4.480  -0.187  -3.220
  110    HB2  LEU  13           2HB      LEU  13   3.555   2.075  -2.889
  111    HB3  LEU  13           3HB      LEU  13   4.689   2.702  -4.070
  112    HG   LEU  13           HG       LEU  13   3.612   1.307  -5.810
  113   HD11  LEU  13          1HD1      LEU  13   2.748  -0.480  -4.420
  114   HD12  LEU  13          2HD1      LEU  13   1.431   0.280  -5.315
  115   HD13  LEU  13          3HD1      LEU  13   1.662   0.649  -3.605
  116   HD21  LEU  13          3HD2      LEU  13   1.699   3.100  -4.317
  117   HD22  LEU  13          1HD2      LEU  13   1.600   2.646  -6.021
  118   HD23  LEU  13          2HD2      LEU  13   2.940   3.642  -5.448
  119    H    LYS  14           H        LYS  14   7.264   1.719  -4.177
  120    HA   LYS  14           HA       LYS  14   7.359   0.813  -6.880
  121    HB2  LYS  14           2HB      LYS  14   9.543   1.952  -5.125
  122    HB3  LYS  14           3HB      LYS  14   9.648   1.735  -6.868
  123    HG2  LYS  14           2HG      LYS  14   7.884   3.337  -7.218
  124    HG3  LYS  14           3HG      LYS  14   7.636   3.495  -5.480
  125    HD2  LYS  14           2HD      LYS  14   9.909   4.377  -5.245
  126    HD3  LYS  14           3HD      LYS  14  10.140   4.235  -6.989
  127    HE2  LYS  14           2HE      LYS  14   8.296   5.796  -7.357
  128    HE3  LYS  14           3HE      LYS  14   8.067   5.934  -5.614
  129    HZ1  LYS  14           3HZ      LYS  14  10.558   6.680  -7.048
  130    HZ2  LYS  14           1HZ      LYS  14  10.233   6.914  -5.403
  131    HZ3  LYS  14           2HZ      LYS  14   9.357   7.774  -6.569
  132    H    ASN  15           H        ASN  15   8.184  -0.603  -3.892
  133    HA   ASN  15           HA       ASN  15  10.110  -2.469  -4.976
  134    HB2  ASN  15           2HB      ASN  15   8.815  -2.107  -2.288
  135    HB3  ASN  15           3HB      ASN  15   9.711  -3.575  -2.657
  136   HD21  ASN  15          1HD2      ASN  15   9.918  -0.166  -2.039
  137   HD22  ASN  15          2HD2      ASN  15  11.639  -0.105  -1.856
  138    H    ILE  16           H        ILE  16   6.754  -2.192  -4.897
  139    HA   ILE  16           HA       ILE  16   6.189  -5.034  -4.927
  140    HB   ILE  16           HB       ILE  16   4.357  -2.696  -5.523
  141   HG12  ILE  16          2HG1      ILE  16   4.763  -4.249  -2.952
  142   HG13  ILE  16          3HG1      ILE  16   5.304  -2.598  -3.244
  143   HG21  ILE  16          1HG2      ILE  16   3.708  -5.560  -4.836
  144   HG22  ILE  16          2HG2      ILE  16   3.555  -4.824  -6.431
  145   HG23  ILE  16          3HG2      ILE  16   2.537  -4.266  -5.103
  146   HD11  ILE  16          3HD1      ILE  16   3.260  -2.689  -1.913
  147   HD12  ILE  16          1HD1      ILE  16   2.440  -3.516  -3.235
  148   HD13  ILE  16          2HD1      ILE  16   3.009  -1.860  -3.447
  149    HA   PRO  17           HA       PRO  17   7.016  -5.776  -9.248
  150    HB2  PRO  17           2HB      PRO  17   4.581  -7.484  -8.958
  151    HB3  PRO  17           3HB      PRO  17   6.155  -7.879  -9.661
  152    HG2  PRO  17           2HG      PRO  17   5.504  -8.740  -7.227
  153    HG3  PRO  17           3HG      PRO  17   7.153  -8.196  -7.588
  154    HD2  PRO  17           2HD      PRO  17   5.004  -6.841  -6.041
  155    HD3  PRO  17           3HD      PRO  17   6.764  -6.768  -5.834
  156    H    PHE  18           H        PHE  18   6.358  -4.915 -11.122
  157    HA   PHE  18           HA       PHE  18   4.606  -2.833 -11.241
  158    HB2  PHE  18           2HB      PHE  18   4.739  -2.987 -13.684
  159    HB3  PHE  18           3HB      PHE  18   6.307  -3.227 -12.928
  160    HD1  PHE  18           HD2      PHE  18   7.168  -5.613 -12.694
  161    HD2  PHE  18           HD1      PHE  18   3.858  -4.572 -15.159
  162    HE1  PHE  18           HE2      PHE  18   7.439  -7.714 -13.941
  163    HE2  PHE  18           HE1      PHE  18   4.125  -6.674 -16.410
  164    HZ   PHE  18           HZ       PHE  18   5.918  -8.249 -15.801
  165    H    PHE  19           H        PHE  19   3.828  -6.208 -11.958
  166    HA   PHE  19           HA       PHE  19   1.256  -5.629 -13.039
  167    HB2  PHE  19           2HB      PHE  19   2.376  -7.640 -13.716
  168    HB3  PHE  19           3HB      PHE  19   2.523  -8.189 -12.052
  169    HD1  PHE  19           HD1      PHE  19   0.123  -7.541 -14.781
  170    HD2  PHE  19           HD2      PHE  19   0.811  -9.412 -11.021
  171    HE1  PHE  19           HE1      PHE  19  -2.003  -8.760 -15.007
  172    HE2  PHE  19           HE2      PHE  19  -1.316 -10.637 -11.239
  173    HZ   PHE  19           HZ       PHE  19  -2.723 -10.312 -13.234
  174    H    ALA  20           H        ALA  20   2.401  -6.746  -9.868
  175    HA   ALA  20           HA       ALA  20  -0.303  -6.914  -8.845
  176    HB1  ALA  20           3HB      ALA  20   1.416  -8.547  -8.164
  177    HB2  ALA  20           1HB      ALA  20   0.709  -7.695  -6.791
  178    HB3  ALA  20           2HB      ALA  20   2.312  -7.249  -7.376
  179    H    ARG  21           H        ARG  21   1.972  -4.485  -9.228
  180    HA   ARG  21           HA       ARG  21   1.776  -3.042  -6.841
  181    HB2  ARG  21           2HB      ARG  21   3.520  -2.655  -8.492
  182    HB3  ARG  21           3HB      ARG  21   2.332  -2.079  -9.646
  183    HG2  ARG  21           2HG      ARG  21   2.021  -0.078  -8.527
  184    HG3  ARG  21           3HG      ARG  21   2.643  -0.720  -7.006
  185    HD2  ARG  21           2HD      ARG  21   4.195   0.857  -8.131
  186    HD3  ARG  21           3HD      ARG  21   4.883  -0.740  -7.855
  187    HE   ARG  21           HE       ARG  21   3.757  -0.029 -10.487
  188   HH11  ARG  21          1HH1      ARG  21   6.421  -1.129  -8.492
  189   HH12  ARG  21          2HH1      ARG  21   7.493  -1.400  -9.831
  190   HH21  ARG  21          1HH2      ARG  21   5.167  -0.392 -12.264
  191   HH22  ARG  21          2HH2      ARG  21   6.778  -0.993 -11.971
  192    H    SER  22           H        SER  22  -0.242  -2.996  -9.733
  193    HA   SER  22           HA       SER  22  -1.793  -0.746  -8.925
  194    HB2  SER  22           2HB      SER  22  -1.586  -1.571 -11.292
  195    HB3  SER  22           3HB      SER  22  -2.596  -2.945 -10.850
  196    HG   SER  22           HG       SER  22  -3.281  -0.197 -10.880
  197    H    GLN  23           H        GLN  23  -2.108  -4.230  -8.579
  198    HA   GLN  23           HA       GLN  23  -4.699  -4.202  -7.411
  199    HB2  GLN  23           2HB      GLN  23  -3.855  -6.197  -8.499
  200    HB3  GLN  23           3HB      GLN  23  -2.493  -6.274  -7.391
  201    HG2  GLN  23           2HG      GLN  23  -3.904  -6.865  -5.574
  202    HG3  GLN  23           3HG      GLN  23  -5.357  -6.533  -6.517
  203   HE21  GLN  23          1HE2      GLN  23  -6.047  -8.003  -8.029
  204   HE22  GLN  23          2HE2      GLN  23  -5.435  -9.622  -8.121
  205    H    ALA  24           H        ALA  24  -1.412  -4.277  -6.121
  206    HA   ALA  24           HA       ALA  24  -2.075  -4.478  -3.401
  207    HB1  ALA  24           3HB      ALA  24   0.184  -4.871  -4.220
  208    HB2  ALA  24           1HB      ALA  24   0.179  -3.628  -2.972
  209    HB3  ALA  24           2HB      ALA  24   0.329  -3.173  -4.668
  210    H    LYS  25           H        LYS  25  -1.424  -1.628  -5.434
  211    HA   LYS  25           HA       LYS  25  -1.710   0.368  -3.554
  212    HB2  LYS  25           2HB      LYS  25  -0.999   0.818  -5.842
  213    HB3  LYS  25           3HB      LYS  25  -2.590   0.378  -6.449
  214    HG2  LYS  25           2HG      LYS  25  -3.573   2.284  -5.305
  215    HG3  LYS  25           3HG      LYS  25  -1.995   2.710  -4.638
  216    HD2  LYS  25           2HD      LYS  25  -1.144   3.006  -6.937
  217    HD3  LYS  25           3HD      LYS  25  -2.759   2.662  -7.558
  218    HE2  LYS  25           2HE      LYS  25  -2.085   4.922  -5.678
  219    HE3  LYS  25           3HE      LYS  25  -2.224   5.085  -7.425
  220    HZ1  LYS  25           3HZ      LYS  25  -4.551   4.287  -7.210
  221    HZ2  LYS  25           1HZ      LYS  25  -4.260   5.766  -6.436
  222    HZ3  LYS  25           2HZ      LYS  25  -4.387   4.343  -5.519
  223    H    ALA  26           H        ALA  26  -4.223  -1.283  -5.418
  224    HA   ALA  26           HA       ALA  26  -6.433   0.183  -4.585
  225    HB1  ALA  26           3HB      ALA  26  -7.754  -1.801  -5.159
  226    HB2  ALA  26           1HB      ALA  26  -6.276  -2.759  -5.233
  227    HB3  ALA  26           2HB      ALA  26  -6.535  -1.448  -6.386
  228    H    ARG  27           H        ARG  27  -4.973  -2.722  -3.093
  229    HA   ARG  27           HA       ARG  27  -6.875  -2.731  -0.958
  230    HB2  ARG  27           2HB      ARG  27  -5.666  -4.783  -1.688
  231    HB3  ARG  27           3HB      ARG  27  -4.187  -4.109  -1.013
  232    HG2  ARG  27           2HG      ARG  27  -5.123  -4.125   1.200
  233    HG3  ARG  27           3HG      ARG  27  -6.692  -4.631   0.578
  234    HD2  ARG  27           2HD      ARG  27  -5.677  -6.737  -0.195
  235    HD3  ARG  27           3HD      ARG  27  -4.133  -6.224   0.486
  236    HE   ARG  27           HE       ARG  27  -5.740  -6.064   2.616
  237   HH11  ARG  27          1HH1      ARG  27  -5.440  -8.590   0.212
  238   HH12  ARG  27          2HH1      ARG  27  -5.721  -9.875   1.352
  239   HH21  ARG  27          1HH2      ARG  27  -6.166  -7.742   4.103
  240   HH22  ARG  27          2HH2      ARG  27  -6.137  -9.392   3.550
  241    H    ILE  28           H        ILE  28  -3.651  -1.371  -1.373
  242    HA   ILE  28           HA       ILE  28  -3.078  -0.814   1.315
  243    HB   ILE  28           HB       ILE  28  -2.248   0.750  -1.137
  244   HG12  ILE  28          2HG1      ILE  28  -0.693  -1.302   0.453
  245   HG13  ILE  28          3HG1      ILE  28  -1.604  -1.691  -1.002
  246   HG21  ILE  28          1HG2      ILE  28  -2.010   2.113   0.863
  247   HG22  ILE  28          2HG2      ILE  28  -0.423   1.609   0.280
  248   HG23  ILE  28          3HG2      ILE  28  -1.145   0.808   1.674
  249   HD11  ILE  28          3HD1      ILE  28   0.772  -1.394  -1.459
  250   HD12  ILE  28          1HD1      ILE  28   0.682   0.257  -0.847
  251   HD13  ILE  28          2HD1      ILE  28  -0.211  -0.193  -2.299
  252    H    GLU  29           H        GLU  29  -4.613   1.267  -1.137
  253    HA   GLU  29           HA       GLU  29  -5.124   3.367   0.713
  254    HB2  GLU  29           2HB      GLU  29  -6.374   2.799  -1.980
  255    HB3  GLU  29           3HB      GLU  29  -6.541   4.302  -1.080
  256    HG2  GLU  29           2HG      GLU  29  -4.109   4.626  -1.199
  257    HG3  GLU  29           3HG      GLU  29  -3.971   3.145  -2.142
  258    H    GLN  30           H        GLN  30  -6.831   0.478  -0.212
  259    HA   GLN  30           HA       GLN  30  -9.330   1.136   0.978
  260    HB2  GLN  30           2HB      GLN  30  -8.174  -1.104  -0.346
  261    HB3  GLN  30           3HB      GLN  30  -8.811  -1.667   1.191
  262    HG2  GLN  30           2HG      GLN  30 -10.556  -1.956  -0.333
  263    HG3  GLN  30           3HG      GLN  30 -10.969  -0.506   0.573
  264   HE21  GLN  30          1HE2      GLN  30  -9.048   1.153  -0.905
  265   HE22  GLN  30          2HE2      GLN  30  -9.741   1.408  -2.465
  266    H    LEU  31           H        LEU  31  -6.392  -0.437   2.158
  267    HA   LEU  31           HA       LEU  31  -7.263  -1.126   4.730
  268    HB2  LEU  31           2HB      LEU  31  -4.520  -0.381   3.708
  269    HB3  LEU  31           3HB      LEU  31  -4.819  -1.016   5.314
  270    HG   LEU  31           HG       LEU  31  -5.582  -2.529   2.821
  271   HD11  LEU  31          1HD1      LEU  31  -3.030  -2.757   4.414
  272   HD12  LEU  31          2HD1      LEU  31  -3.165  -2.074   2.792
  273   HD13  LEU  31          3HD1      LEU  31  -3.517  -3.783   3.063
  274   HD21  LEU  31          3HD2      LEU  31  -5.106  -3.383   5.676
  275   HD22  LEU  31          1HD2      LEU  31  -5.545  -4.444   4.338
  276   HD23  LEU  31          2HD2      LEU  31  -6.678  -3.214   4.898
  277    H    ALA  32           H        ALA  32  -5.818   1.849   3.480
  278    HA   ALA  32           HA       ALA  32  -5.585   3.160   5.968
  279    HB1  ALA  32           3HB      ALA  32  -5.352   5.216   4.652
  280    HB2  ALA  32           1HB      ALA  32  -5.842   4.332   3.207
  281    HB3  ALA  32           2HB      ALA  32  -4.345   3.906   4.037
  282    H    ARG  33           H        ARG  33  -8.228   2.968   3.624
  283    HA   ARG  33           HA       ARG  33  -9.877   4.831   5.047
  284    HB2  ARG  33           2HB      ARG  33 -10.565   2.763   2.955
  285    HB3  ARG  33           3HB      ARG  33 -11.721   3.913   3.619
  286    HG2  ARG  33           2HG      ARG  33 -10.249   5.751   2.806
  287    HG3  ARG  33           3HG      ARG  33  -9.259   4.528   2.009
  288    HD2  ARG  33           2HD      ARG  33 -10.796   5.458   0.412
  289    HD3  ARG  33           3HD      ARG  33 -11.249   3.789   0.750
  290    HE   ARG  33           HE       ARG  33 -12.967   4.798   2.307
  291   HH11  ARG  33          1HH1      ARG  33 -11.752   6.523  -0.484
  292   HH12  ARG  33          2HH1      ARG  33 -13.187   7.473  -0.705
  293   HH21  ARG  33          1HH2      ARG  33 -14.890   6.039   2.021
  294   HH22  ARG  33          2HH2      ARG  33 -14.984   7.173   0.711
  295    H    GLN  34           H        GLN  34  -9.256   1.418   5.208
  296    HA   GLN  34           HA       GLN  34 -11.416   0.739   6.930
  297    HB2  GLN  34           2HB      GLN  34 -10.101  -0.934   5.652
  298    HB3  GLN  34           3HB      GLN  34  -8.696  -0.572   6.641
  299    HG2  GLN  34           2HG      GLN  34 -11.220  -1.494   7.939
  300    HG3  GLN  34           3HG      GLN  34 -10.167  -2.658   7.140
  301   HE21  GLN  34          1HE2      GLN  34  -7.727  -1.197   7.822
  302   HE22  GLN  34          2HE2      GLN  34  -7.467  -1.474   9.512
  303    H    ALA  35           H        ALA  35  -8.220   2.083   7.393
  304    HA   ALA  35           HA       ALA  35  -8.474   2.134  10.282
  305    HB1  ALA  35           3HB      ALA  35  -6.266   1.861   9.221
  306    HB2  ALA  35           1HB      ALA  35  -6.335   3.283  10.265
  307    HB3  ALA  35           2HB      ALA  35  -6.423   3.468   8.513
  308    H    GLU  36           H        GLU  36  -9.562   3.928   7.683
  309    HA   GLU  36           HA       GLU  36 -10.764   5.816   7.453
  310    HB2  GLU  36           2HB      GLU  36 -10.874   5.671  10.465
  311    HB3  GLU  36           3HB      GLU  36 -11.790   6.822   9.501
  312    HG2  GLU  36           2HG      GLU  36 -12.854   4.925   8.327
  313    HG3  GLU  36           3HG      GLU  36 -12.009   3.824   9.415
  314    H    GLN  37           H        GLN  37  -8.072   6.070   7.225
  315    HA   GLN  37           HA       GLN  37  -7.743   8.857   8.082
  316    HB2  GLN  37           2HB      GLN  37  -5.317   8.470   8.366
  317    HB3  GLN  37           3HB      GLN  37  -6.280   7.550   9.511
  318    HG2  GLN  37           2HG      GLN  37  -6.014   5.562   8.056
  319    HG3  GLN  37           3HG      GLN  37  -4.944   6.510   7.025
  320   HE21  GLN  37          1HE2      GLN  37  -3.178   5.224   7.386
  321   HE22  GLN  37          2HE2      GLN  37  -2.345   5.169   8.900
  322    H    ASP  38           H        ASP  38  -6.250  10.078   6.650
  323    HA   ASP  38           HA       ASP  38  -6.788   9.299   3.889
  324    HB2  ASP  38           2HB      ASP  38  -5.858  11.850   5.182
  325    HB3  ASP  38           3HB      ASP  38  -5.789  11.631   3.439
  326    H    ILE  39           H        ILE  39  -4.260   9.087   6.076
  327    HA   ILE  39           HA       ILE  39  -2.182   9.316   4.023
  328    HB   ILE  39           HB       ILE  39  -1.885   9.126   7.027
  329   HG12  ILE  39          2HG1      ILE  39  -1.660  11.575   5.263
  330   HG13  ILE  39          3HG1      ILE  39  -3.078  11.186   6.232
  331   HG21  ILE  39          1HG2      ILE  39   0.081   8.361   5.813
  332   HG22  ILE  39          2HG2      ILE  39   0.401   9.898   6.620
  333   HG23  ILE  39          3HG2      ILE  39   0.104   9.859   4.882
  334   HD11  ILE  39          3HD1      ILE  39  -1.729  11.334   8.258
  335   HD12  ILE  39          1HD1      ILE  39  -1.689  12.833   7.332
  336   HD13  ILE  39          2HD1      ILE  39  -0.311  11.734   7.284
  337    H    VAL  40           H        VAL  40  -1.156   7.535   3.284
  338    HA   VAL  40           HA       VAL  40  -1.576   5.023   4.742
  339    HB   VAL  40           HB       VAL  40  -0.889   3.821   2.779
  340   HG11  VAL  40          1HG1      VAL  40  -2.785   6.043   2.042
  341   HG12  VAL  40          2HG1      VAL  40  -3.200   4.504   2.794
  342   HG13  VAL  40          3HG1      VAL  40  -2.583   4.540   1.145
  343   HG21  VAL  40          3HG2      VAL  40  -0.232   4.916   0.697
  344   HG22  VAL  40          1HG2      VAL  40   0.895   5.283   2.006
  345   HG23  VAL  40          2HG2      VAL  40  -0.298   6.483   1.502
  346    H    THR  41           H        THR  41   0.027   4.102   5.832
  347    HA   THR  41           HA       THR  41   2.634   5.402   5.772
  348    HB   THR  41           HB       THR  41   3.085   3.943   7.780
  349    HG1  THR  41           HG1      THR  41   1.313   2.864   8.702
  350   HG21  THR  41          3HG2      THR  41   1.660   5.224   9.306
  351   HG22  THR  41          1HG2      THR  41   0.654   5.726   7.947
  352   HG23  THR  41          2HG2      THR  41   2.333   6.257   8.043
  353    HA   PRO  42           HA       PRO  42   4.747   2.215   3.539
  354    HB2  PRO  42           2HB      PRO  42   6.858   1.673   5.277
  355    HB3  PRO  42           3HB      PRO  42   6.833   2.954   4.061
  356    HG2  PRO  42           2HG      PRO  42   6.298   3.110   6.992
  357    HG3  PRO  42           3HG      PRO  42   7.123   4.271   5.936
  358    HD2  PRO  42           2HD      PRO  42   4.605   4.667   6.780
  359    HD3  PRO  42           3HD      PRO  42   5.133   5.165   5.159
  360    H    GLU  43           H        GLU  43   3.906   1.740   6.877
  361    HA   GLU  43           HA       GLU  43   4.287  -0.997   7.220
  362    HB2  GLU  43           2HB      GLU  43   1.888   0.532   8.227
  363    HB3  GLU  43           3HB      GLU  43   2.658  -0.862   8.967
  364    HG2  GLU  43           2HG      GLU  43   4.562   0.446   9.595
  365    HG3  GLU  43           3HG      GLU  43   3.959   1.836   8.688
  366    H    LEU  44           H        LEU  44   1.392   0.747   6.132
  367    HA   LEU  44           HA       LEU  44  -0.161  -1.551   5.642
  368    HB2  LEU  44           2HB      LEU  44  -0.394   1.339   4.950
  369    HB3  LEU  44           3HB      LEU  44  -1.432   0.198   4.117
  370    HG   LEU  44           HG       LEU  44  -2.400  -0.519   6.230
  371   HD11  LEU  44          1HD1      LEU  44  -0.450  -0.252   7.667
  372   HD12  LEU  44          2HD1      LEU  44  -1.848   0.600   8.329
  373   HD13  LEU  44          3HD1      LEU  44  -0.570   1.502   7.513
  374   HD21  LEU  44          3HD2      LEU  44  -3.569   1.537   6.814
  375   HD22  LEU  44          1HD2      LEU  44  -3.385   1.391   5.065
  376   HD23  LEU  44          2HD2      LEU  44  -2.341   2.484   5.975
  377    H    VAL  45           H        VAL  45   1.855   0.438   3.527
  378    HA   VAL  45           HA       VAL  45   1.148  -0.764   1.091
  379    HB   VAL  45           HB       VAL  45   3.849   0.363   1.849
  380   HG11  VAL  45          1HG1      VAL  45   3.953  -0.976  -0.173
  381   HG12  VAL  45          2HG1      VAL  45   4.109   0.737  -0.573
  382   HG13  VAL  45          3HG1      VAL  45   2.580  -0.097  -0.848
  383   HG21  VAL  45          3HG2      VAL  45   3.043   2.445   0.848
  384   HG22  VAL  45          1HG2      VAL  45   2.060   1.969   2.235
  385   HG23  VAL  45          2HG2      VAL  45   1.456   1.711   0.596
  386    H    GLU  46           H        GLU  46   3.763  -1.559   3.361
  387    HA   GLU  46           HA       GLU  46   4.687  -3.771   1.836
  388    HB2  GLU  46           2HB      GLU  46   6.036  -2.463   3.510
  389    HB3  GLU  46           3HB      GLU  46   5.117  -3.260   4.781
  390    HG2  GLU  46           2HG      GLU  46   6.022  -5.359   4.260
  391    HG3  GLU  46           3HG      GLU  46   6.655  -4.795   2.715
  392    H    GLN  47           H        GLN  47   2.533  -3.401   4.619
  393    HA   GLN  47           HA       GLN  47   2.061  -6.073   5.204
  394    HB2  GLN  47           2HB      GLN  47   1.225  -4.219   6.584
  395    HB3  GLN  47           3HB      GLN  47   0.089  -3.780   5.317
  396    HG2  GLN  47           2HG      GLN  47  -1.068  -4.981   7.035
  397    HG3  GLN  47           3HG      GLN  47  -1.011  -5.972   5.576
  398   HE21  GLN  47          1HE2      GLN  47  -1.261  -7.910   6.624
  399   HE22  GLN  47          2HE2      GLN  47  -0.052  -8.586   7.667
  400    H    ALA  48           H        ALA  48   0.345  -3.971   2.901
  401    HA   ALA  48           HA       ALA  48  -1.419  -5.923   1.920
  402    HB1  ALA  48           3HB      ALA  48  -1.667  -3.504   1.509
  403    HB2  ALA  48           1HB      ALA  48  -1.749  -4.458   0.025
  404    HB3  ALA  48           2HB      ALA  48  -0.278  -3.568   0.422
  405    H    ARG  49           H        ARG  49   1.903  -5.125   1.077
  406    HA   ARG  49           HA       ARG  49   2.048  -6.715  -1.276
  407    HB2  ARG  49           2HB      ARG  49   3.668  -4.923  -0.713
  408    HB3  ARG  49           3HB      ARG  49   4.270  -5.914   0.612
  409    HG2  ARG  49           2HG      ARG  49   4.892  -7.652  -1.042
  410    HG3  ARG  49           3HG      ARG  49   4.417  -6.536  -2.328
  411    HD2  ARG  49           2HD      ARG  49   6.083  -4.950  -1.623
  412    HD3  ARG  49           3HD      ARG  49   6.487  -5.948  -0.228
  413    HE   ARG  49           HE       ARG  49   6.820  -7.178  -2.844
  414   HH11  ARG  49          1HH1      ARG  49   8.329  -5.539  -0.133
  415   HH12  ARG  49          2HH1      ARG  49   9.925  -6.102  -0.524
  416   HH21  ARG  49          1HH2      ARG  49   8.932  -7.875  -3.387
  417   HH22  ARG  49          2HH2      ARG  49  10.269  -7.417  -2.378
  418    H    LEU  50           H        LEU  50   2.571  -7.286   2.136
  419    HA   LEU  50           HA       LEU  50   3.555  -9.946   1.875
  420    HB2  LEU  50           2HB      LEU  50   3.325  -8.088   3.912
  421    HB3  LEU  50           3HB      LEU  50   2.168  -9.323   4.370
  422    HG   LEU  50           HG       LEU  50   4.339  -9.714   5.416
  423   HD11  LEU  50          1HD1      LEU  50   4.670 -12.037   4.703
  424   HD12  LEU  50          2HD1      LEU  50   3.663 -11.734   3.287
  425   HD13  LEU  50          3HD1      LEU  50   2.964 -11.640   4.902
  426   HD21  LEU  50          3HD2      LEU  50   5.730  -8.650   3.695
  427   HD22  LEU  50          1HD2      LEU  50   5.389  -9.992   2.602
  428   HD23  LEU  50          2HD2      LEU  50   6.296 -10.275   4.088
  429    H    GLU  51           H        GLU  51   0.376  -8.518   2.499
  430    HA   GLU  51           HA       GLU  51  -1.153 -10.783   2.903
  431    HB2  GLU  51           2HB      GLU  51  -1.843  -8.245   1.419
  432    HB3  GLU  51           3HB      GLU  51  -3.027  -9.479   1.823
  433    HG2  GLU  51           2HG      GLU  51  -1.365  -7.954   3.819
  434    HG3  GLU  51           3HG      GLU  51  -3.034  -7.581   3.385
  435    H    PHE  52           H        PHE  52  -0.366  -9.238  -0.208
  436    HA   PHE  52           HA       PHE  52  -1.690 -11.243  -1.741
  437    HB2  PHE  52           2HB      PHE  52   0.274  -9.089  -2.523
  438    HB3  PHE  52           3HB      PHE  52  -0.467 -10.188  -3.685
  439    HD1  PHE  52           HD2      PHE  52  -3.081 -10.326  -3.561
  440    HD2  PHE  52           HD1      PHE  52  -0.761  -7.080  -2.088
  441    HE1  PHE  52           HE2      PHE  52  -5.054  -8.864  -3.688
  442    HE2  PHE  52           HE1      PHE  52  -2.731  -5.615  -2.205
  443    HZ   PHE  52           HZ       PHE  52  -4.881  -6.503  -3.007
  444    H    GLY  53           H        GLY  53   1.528 -10.876  -0.476
  445    HA2  GLY  53           2HA      GLY  53   2.782 -12.910  -2.014
  446    HA3  GLY  53           3HA      GLY  53   3.322 -12.311  -0.450
  447    H    GLN  54           H        GLN  54   0.542 -12.981   0.588
  448    HA   GLN  54           HA       GLN  54   1.057 -15.817   1.114
  449    HB2  GLN  54           2HB      GLN  54  -0.894 -13.929   2.447
  450    HB3  GLN  54           3HB      GLN  54  -0.506 -15.561   2.973
  451    HG2  GLN  54           2HG      GLN  54   1.728 -14.912   3.539
  452    HG3  GLN  54           3HG      GLN  54   1.487 -13.311   2.843
  453   HE21  GLN  54          1HE2      GLN  54   2.276 -14.032   5.529
  454   HE22  GLN  54          2HE2      GLN  54   1.086 -13.349   6.585
  455    H    LEU  55           H        LEU  55  -1.166 -13.666  -0.455
  456    HA   LEU  55           HA       LEU  55  -3.327 -15.543  -0.683
  457    HB2  LEU  55           2HB      LEU  55  -2.767 -12.932  -2.087
  458    HB3  LEU  55           3HB      LEU  55  -4.219 -13.879  -2.341
  459    HG   LEU  55           HG       LEU  55  -3.374 -12.641   0.279
  460   HD11  LEU  55          1HD1      LEU  55  -4.081 -10.985  -1.353
  461   HD12  LEU  55          2HD1      LEU  55  -5.289 -11.162  -0.081
  462   HD13  LEU  55          3HD1      LEU  55  -5.556 -11.897  -1.662
  463   HD21  LEU  55          3HD2      LEU  55  -5.582 -13.334   1.062
  464   HD22  LEU  55          1HD2      LEU  55  -4.609 -14.725   0.585
  465   HD23  LEU  55          2HD2      LEU  55  -5.883 -14.135  -0.481
  466    H    GLU  56           H        GLU  56  -0.711 -14.438  -2.793
  467    HA   GLU  56           HA       GLU  56  -1.609 -16.068  -4.982
  468    HB2  GLU  56           2HB      GLU  56   1.028 -14.648  -4.554
  469    HB3  GLU  56           3HB      GLU  56   0.551 -15.457  -6.038
  470    HG2  GLU  56           2HG      GLU  56  -1.492 -13.850  -5.931
  471    HG3  GLU  56           3HG      GLU  56  -0.448 -12.910  -4.864
  472    H    HIS  57           H        HIS  57  -0.489 -17.878  -5.832
  473    HA   HIS  57           HA       HIS  57   0.583 -19.694  -3.931
  474    HB2  HIS  57           2HB      HIS  57   0.792 -19.723  -6.959
  475    HB3  HIS  57           3HB      HIS  57   1.204 -21.070  -5.903
  476    HD1  HIS  57           HD1      HIS  57  -0.737 -22.464  -4.944
  477    HD2  HIS  57           HD2      HIS  57  -1.957 -19.261  -7.301
  478    HE1  HIS  57           HE1      HIS  57  -3.189 -22.824  -5.369
  479    HE2  HIS  57           HE2      HIS  57  -3.841 -21.000  -6.986
  480    H    HIS  58           H        HIS  58   2.763 -20.328  -3.628
  481    HA   HIS  58           HA       HIS  58   4.557 -18.123  -3.692
  482    HB2  HIS  58           2HB      HIS  58   5.065 -21.037  -3.053
  483    HB3  HIS  58           3HB      HIS  58   6.226 -19.736  -2.793
  484    HD1  HIS  58           HD1      HIS  58   5.731 -18.063  -0.841
  485    HD2  HIS  58           HD2      HIS  58   2.996 -21.186  -1.184
  486    HE1  HIS  58           HE1      HIS  58   4.383 -18.030   1.285
  487    HE2  HIS  58           HE2      HIS  58   2.751 -19.937   1.072
  488    H    HIS  59           H        HIS  59   5.565 -17.402  -5.403
  489    HA   HIS  59           HA       HIS  59   5.580 -19.010  -7.809
  490    HB2  HIS  59           2HB      HIS  59   6.517 -16.158  -7.478
  491    HB3  HIS  59           3HB      HIS  59   6.134 -16.975  -8.982
  492    HD1  HIS  59           HD1      HIS  59   3.418 -17.815  -8.987
  493    HD2  HIS  59           HD2      HIS  59   4.548 -14.573  -6.639
  494    HE1  HIS  59           HE1      HIS  59   1.313 -16.493  -8.590
  495    HE2  HIS  59           HE2      HIS  59   2.056 -14.450  -7.294
  496    H    HIS  60           H        HIS  60   7.242 -20.308  -8.206
  497    HA   HIS  60           HA       HIS  60   9.287 -20.791  -9.058
  498    HB2  HIS  60           2HB      HIS  60   9.135 -18.537 -10.047
  499    HB3  HIS  60           3HB      HIS  60   9.868 -17.857  -8.605
  500    HD1  HIS  60           HD1      HIS  60  10.858 -20.607 -11.063
  501    HD2  HIS  60           HD2      HIS  60  12.455 -17.308  -9.093
  502    HE1  HIS  60           HE1      HIS  60  13.254 -20.462 -11.810
  503    HE2  HIS  60           HE2      HIS  60  14.108 -18.315 -10.808
  504    H    HIS  61           H        HIS  61  11.479 -21.218  -8.471
  505    HA   HIS  61           HA       HIS  61  12.166 -21.742  -5.876
  506    HB2  HIS  61           2HB      HIS  61  13.517 -22.596  -7.660
  507    HB3  HIS  61           3HB      HIS  61  13.905 -20.978  -8.231
  508    HD1  HIS  61           HD1      HIS  61  16.158 -20.229  -7.619
  509    HD2  HIS  61           HD2      HIS  61  14.658 -22.975  -4.880
  510    HE1  HIS  61           HE1      HIS  61  17.994 -20.588  -5.939
  511    HE2  HIS  61           HE2      HIS  61  16.954 -22.036  -4.158
  512    H    HIS  62           H        HIS  62  12.740 -20.604  -4.160
  513    HA   HIS  62           HA       HIS  62  13.497 -17.791  -4.470
  514    HB2  HIS  62           2HB      HIS  62  11.949 -17.259  -2.521
  515    HB3  HIS  62           3HB      HIS  62  11.164 -17.601  -4.059
  516    HD1  HIS  62           HD1      HIS  62   9.878 -19.857  -4.267
  517    HD2  HIS  62           HD2      HIS  62  11.386 -19.060  -0.471
  518    HE1  HIS  62           HE1      HIS  62   8.706 -21.459  -2.717
  519    HE2  HIS  62           HE2      HIS  62   9.718 -21.041  -0.444